National Library of Energy BETA

Sample records for hydroxyl group ch

  1. Electrostatic Cooperativity of Hydroxyl Groups at Metal Oxide Surfaces

    SciTech Connect (OSTI)

    Boily, Jean F.; Lins, Roberto D.

    2009-09-24

    The O-H bond distribution of hydroxyl groups at the {110} goethite (R-FeOOH) surface was investigated by molecular dynamics. This distribution was strongly affected by electrostatic interactions with neighboring oxo and hydroxo groups. The effects of proton surface loading, simulated by emplacing two protons at different distances of separation, were diverse and generated several sets of O-H bond distributions. DFT calculations of a representative molecular cluster were also carried out to demonstrate the impact of these effects on the orientation of oxygen lone pairs in neighboring oxo groups. These effects should have strong repercussions on O-H stretching vibrations of metal oxide surfaces.h

  2. Tuning magnetic splitting of zigzag graphene nanoribbons by edge functionalization with hydroxyl groups

    SciTech Connect (OSTI)

    Zhang, Huizhen; Yang, Haifang; Li, Lin; Fu, Huixia; Ma, Wei; Niu, Chunyao; Sun, Jiatao; Meng, Sheng; Gu, Changzhi

    2015-03-21

    The electronic properties and relative stability of zigzag graphene nanoribbons are studied by varying the percentage of hydroxyl radicals for edge saturation using first principle calculations. The passivated structures of zigzag graphene nanoribbon have spin-polarized ground state with antiferromagnetic exchange coupling across the edge and ferromagnetic coupling along the edges. When the edges are specially passivated by hydroxyl, the potentials of spin exchange interaction across the two edges shift accordingly, resulting into a spin-semiconductor. Varying the concentration of hydroxyl groups can alter the maximum magnetization splitting. When the percentage of asymmetrically adsorbed hydroxyl reaches 50%, the magnetization splitting can reach a value as high as 275 meV due to the asymmetrical potential across the nanoribbon edges. These results would favor spintronic device applications based on zigzag graphene nanoribbons.

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

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

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

    2015-07-10

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

  4. Preliminary Notice of Violation, CH2M-Washington Group Idaho...

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

    M-Washington Group Idaho, LLC - EA-2007-03 Preliminary Notice of Violation, CH2M-Washington Group Idaho, LLC - EA-2007-03 June 14, 2007 Issued to CH2M-Washington Group Idaho, LLC,...

  5. Smart Materials Behavior in Phosphates: Role of Hydroxyl Groups and Relevance to Antiwear Films

    SciTech Connect (OSTI)

    Shakhvorostov, D.; Müser, M; Song, Y; Norton, P

    2009-01-01

    The elastic properties of materials under high pressure are relevant to the understanding and performance of many systems of current interest, for example, in geology and tribology. Of particular interest is the origin of the dramatic increase in modulus with increasing pressure, a response which is also called 'smart materials behavior.' In this context, simple phosphate-containing materials have been studied experimentally and theoretically, and the origins of this behavior have been associated with factors such as coordination of the cations and changes in the degree of polymerization and hydrogenation of the phosphate units. In the present paper we extend the former analysis on simple metal phosphate model compounds to so-called thermal films, an intermediate stage in the formation of effective antiwear films. The material was produced by heating a commercial zinc dialkyldithiophosphate (ZDDP), a common antiwear additive in lubricating oils, in poly-?-olefin base oil solutions to 150 degrees C, a process known to produce the thermal films. Its structure and equation of state were studied by means of x-ray diffraction and IR synchrotron radiation techniques during compression up to 25 GPa in a diamond anvil cell as well as during the subsequent decompression. As is the case for the simple metal phosphates, we find that the thermal films are relatively soft at low pressures but stiffen rapidly and ultimately amorphize irreversibly at high pressure. However, in addition to phase transformations involving cation sites occurring in the metal phosphates studied previously, thermal films undergo displacive transitions associated with instabilities of the hydroxyl groups. These results may imply that ZDDP ligands and those of the transformed materials not only affect ZDDP decomposition rate in engines but also the mechanical properties of the resulting antiwear films.

  6. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc...

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

    Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc. - EA-2006-06 November 16, 2006 Issued to CH2M Hill Hanford Group, Inc., related to Radiological Contamination Events ...

  7. Enforcement Letter, CH2M Hill Hanford Group, Inc - July 8, 2005...

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

    Inc - July 8, 2005 Enforcement Letter, CH2M Hill Hanford Group, Inc - July 8, 2005 July 8, 2005 Issued to CH2M Hill Hanford Group, Inc., related to Neutron Exposure at the Hanford...

  8. Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and...

    Office of Scientific and Technical Information (OSTI)

    Hydrogen for X-group exchange in CH3X, X Cl, Br, I, OMe and NMe2 byMonomeric ... Citation Details In-Document Search Title: Hydrogen for X-group exchange in CH3X, X Cl, ...

  9. Determination of Hydroxyl Groups in Pyrolysis Bio-oils using 31P NMR: Laboratory Analytical Procedure (LAP)

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

    Hydroxyl Groups in Pyrolysis Bio-oils using 31 P NMR Laboratory Analytical Procedure (LAP) Issue Date: March 2, 2016 Mariefel V. Olarte, Sarah D. Burton, Marie Swita, and Asanga B. Padmaperuma Pacific Northwest National Laboratory Jack Ferrell and Haoxi Ben National Renewable Energy Laboratory Technical Report NREL/TP-5100-65887 March 2016 NREL is a national laboratory of the U.S. Department of Energy Office of Energy Efficiency & Renewable Energy Operated by the Alliance for Sustainable

  10. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc- EA-2005-01

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Radiological and Operational Events at the Hanford Tank Farms

  11. Enforcement Letter, CH2M Hill Hanford Group, Inc.- April 24, 2001

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Nuclear Safety Management at the Hanford Site Tank Farms

  12. Enforcement Letter, CH2M Hill Hanford Group Inc,- September 6, 2007

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Quality Improvement Deficiencies at the Hanford Tank Farms

  13. The relationship between hydroxyl groups on oxide surfaces and the properties of supported metals. Progress report, June 1, 1992--January 31, 1994

    SciTech Connect (OSTI)

    Schwarz, J.A.

    1994-05-01

    Supported metal catalysts are commonly prepared by depositing catalytic precursors from aqueous solutions of electrolytes onto high surface area oxides. A general conclusion of our previous studies was that the performance of the finished catalyst depends on the characteristic properties of the hydroxyl inventory on the surface of the oxide support, both in wet and in (pseudo)-dry conditions. Hydroxyl groups serve as adsorption or exchange sites during catalyst preparation. On the other hand, the configuration of hydroxyl groups still remaining on oxides after dehydration determines the acid-base characteristics of the catalyst, which is an important catalytic property. The purpose of the investigation is to characterize the relationship between the complex inventory of hydroxyl groups at oxide surfaces, the acid-base properties of oxides (both in aqueous solution and in the pseudo-dry state) and the resultant effects on the properties of catalytic materials formed by adsorption/impregnation onto these hydroxylated supports during catalyst preparation. We use a common crystallographic model to describe the local configuration of hydroxyl groups on both the pseudo-dry surface and -the oxide/aqueous solution interface. This allows us to extend the concept of structurally determined intrinsic heterogeneity of pseudo-dry surfaces (as already known from the IR spectra of isolated surface hydroxyls) to the oxide/solution interface. We examine the consequences of that heterogeneity upon the impregnation step during catalyst preparation.

  14. Preliminary Notice of Violation, CH2M HILL Hanford Group, Inc.- NEA-2008-02

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to a Radioactive Waste Spill at the Hanford Site Tank Farms

  15. Consent Order, CH2M Hill Hanford Group, Inc.- EA-2000-09

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Quality Problems at the Hanford Site Tank Farms, (EA-2000-09)

  16. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc. - EA-2003-06

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

    | Department of Energy CH2M Hill Hanford Group, Inc. - EA-2003-06 Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc. - EA-2003-06 August 29, 2003 Issued to CH2M Hill Hanford Group, Inc., related to Quality Assurance Issues at the Hanford Site Tank Farms On August 29, 2003, the U.S. Department of Energy issued a Preliminary Notice of Violation (EA-2003-06) to CH2M Hill Hanford Group, Inc. for violations of 10 C.F.R. 830 related to numerous nuclear safety quality assurance issues

  17. Heterogeneity of hydroxyl and deuteroxyl groups on the surface of TiO{sub 2} polymorphs

    SciTech Connect (OSTI)

    Contescu, C.; Popa, V.T.; Schwarz, J.A.

    1996-06-01

    Potentiometric titration data from pure rutile, anatase, and a commercial fumed titania (Degussa P25) were analyzed in terms of proton binding isotherms from which proton affinity distributions (PADs) of surface sites were obtained. As-received samples, whose thermal and storage history were not systematically controlled, as well as samples subjected to controlled calcination-rehydration-drying treatments were studied. The results indicated the occurrence of a limited number of surface groups on the two polymorphs. The behavior of pure rutile and anatase could be admixed to simulate the acid-base behavior of the commercial sample; on this basis the surface of fumed titania consists largely of anatase-like structures with a small contribution (7%) of rutile-like groups. The region of {nu}{sub OD} stretching vibrations of isolated -OD groups on extensively dehydroxylated samples was found to correlate with the pK`s determined from PADs. A qualitative assignment of measured pK values based on either the original MUSIC model (Hiemstra, T., de Wit, J.C.M., and Van Riemsdijk, W.H., J. Colloid Interface Sci. 133, 105 (1989)) or a refined version of it is presented.

  18. Enforcement Letter, CH2M-Washington Group Idaho LLC , - May 20...

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

    , - May 20, 2009 May 20, 2009 Issued to CH2M-Washington Group Idaho, LLC, for Electrical Safety Deficiencies at the Idaho National Laboratory On May 20, 2009, the U.S. Department...

  19. Preliminary Notice of Violation, CH2M-Washington Group Idaho, LLC- EA-2007-03

    Broader source: Energy.gov [DOE]

    Issued to CH2M-Washington Group Idaho, LLC, related to Radiation Protection Program Deficiencies at the Radioactive Waste Management Complex - Accelerated Retrieval Project at the Idaho National Laboratory

  20. DOE Cites CH2M Hill Hanford Group for Price-Anderson Violations

    Broader source: Energy.gov [DOE]

    WASHINGTON, DC - The Department of Energy (DOE) today notified CH2M Hill Hanford Group (CHG) that it will fine the company $82,500 for violations of the Department's nuclear safety requirements. ...

  1. DOE Cites CH2M Hill Hanford Group, Inc. for Price-Anderson Violations

    Broader source: Energy.gov [DOE]

    WASHINGTON, DC - The Department of Energy (DOE) today issued a Preliminary Notice of Violation (PNOV) to CH2M Hill Hanford Group, Inc. (CHG) for nuclear safety violations.  CHG is the tank...

  2. DOE Cites CH2M-Washington Group Idaho for Price-Anderson Violations |

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

    Department of Energy M-Washington Group Idaho for Price-Anderson Violations DOE Cites CH2M-Washington Group Idaho for Price-Anderson Violations June 14, 2007 - 1:40pm Addthis WASHINGTON, DC - The U.S. Department of Energy (DOE) today notified CH2M-Washington Group Idaho (CWI) that it will fine the company $55,000 for violations of the Department's nuclear safety requirements. CWI is the prime contractor responsible for managing the Idaho Cleanup Project at the Idaho National Laboratory site.

  3. Synthesis of MOF having hydroxyl functional side groups and optimization of activation process for the maximization of its BET surface area

    SciTech Connect (OSTI)

    Kim, Jongsik; Kim, Dong Ok; Kim, Dong Wook; Sagong, Kil

    2013-01-15

    To accomplish the postsynthetic modification of MOF with organic-metal precursors (OMPs) described in our previous researches more efficiently, synthesis of MOF (HCC-2) possessing relatively larger pore size as well as higher number of hydroxyl functional side groups per its base unit than those of HCC-1 has been successfully conducted via adopting 1,4-di-(4-carboxy-2,6-dihydroxyphenyl)benzene as an organic ligand and Zn(NO{sub 3}){sub 2}{center_dot}6H{sub 2}O as a metal source, respectively. Also, optimization about the Activation process of HCC-2 was performed to maximize its BET (Brunauer-Emmett-Teller) surface area which was proved to be proportional to the number of exposed active sites on which its postsynthetic modification occurred. However, Activation process having been validated to be so effective with the acquirement of highly-purified HCC-1 (CO{sub 2} supercritical drying step followed by vacuum drying step) was less satisfactory with the case of HCC-2. This might be attributed to relatively higher hydrophilicity and bulkier molecular structure of organic ligand of HCC-2. However, it was readily settled by simple modification of above Activation process. Moreover, indispensable residues composed of both DMF and its thermally degraded derivatives which were chemically attached via coordination bond with hydroxyl functionalities even after Activation process III might enable their H{sub 2} adsorption properties to be seriously debased compared to that of IRMOF-16 having no hydroxyl functionalities. - Graphical abstract: Synthesis of new-structured MOF (HCC-2) simultaneously possessing relatively larger pore size as well as higher number of hydroxyl functional side groups per its base unit at the same time than those of HCC-1 has been performed via adopting 1,4-di-(4-carboxy-2,6-dihydroxyphenyl)benzene as an organic ligand and Zn(NO{sub 3}){sub 2}{center_dot}6H{sub 2}O as a metal source, respectively. Also, the optimization of activation process for HCC-2

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

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

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

    2015-07-30

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

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

    SciTech Connect (OSTI)

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

    2015-07-30

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

  6. Structure-activity relationship of Au-ZrO2 catalyst on formation of hydroxyl groups and its influence on CO oxidation

    SciTech Connect (OSTI)

    Karwacki, Christopher J; Ganesh, Panchapakesan; Kent, P. R. C.; Gordon, Wesley O; Peterson, Gregory W; Niu, Jun Jie; Gogotsi, Yury G.

    2013-01-01

    The effect of changes in morphology and surface hydroxyl species upon thermal treatment of zirconia on the oxidation activity of Au/ZrO2 catalyst was studied. We observed using transmission Fourier transform infrared (FTIR) spectroscopy progressive changes in the presence of monodentate (type I), bidentate (type II) and hydrogen bridged species (type III) for each of the thermally treated (85 to 500 C) supports consisting of bare zirconia and Au/ZrO2 catalysts. Furthermore, structural changes in zirconia were accompanied by an increase in crystal size (7 to 58 nm) and contraction of the supports porosity (SSA 532 to 7 m2 g 1) with increasing thermal treatment. Deposition of gold nanoparticles under similar preparation conditions on different thermally treated zirconia resulted in changes in the mean gold cluster size, ranging from 3.7 to 5.6 nm. Changes in the surface hydroxyl species, support structure and size of the gold centers are important parameters responsible for the observed decrease (>90%) in CO conversion activity for the Au/ZrO2 catalysts. Density functional theory calculations provide evidence of increased CO binding to Au nanoclusters in the presence of surface hydroxyls on zirconia, which increases charge transfer at the perimeter of the gold nanocluster on zirconia support. This further helps in reducing a model CO-oxidation reaction barrier in the presence of surface hydroxyls. This work demonstrates the need to understand the structure activity relationship of both the support and active particles for the design of catalytic materials.

  7. Structure-Activity Relationship of Au/ZrO2 Catalyst on Formation of Hydroxyl Groups and Its Influence on CO Oxidation

    SciTech Connect (OSTI)

    Karwacki, Christopher J; Ganesh, Panchapakesan; Gordon, Wesley O; Peterson, Gregory W; Niu, Jun Jie; Gogotsi, Yury G.

    2013-01-01

    The effect of changes in morphology and surface hydroxyl species upon thermal treatment of zirconia on the oxidation activity of Au/ZrO2 catalyst was studied. We observed using transmission fourier transform infrared (FTIR) spectroscopy progressive changes in the presence of monodentate (type I), bidentate (type II) and hydrogen bridged species (type III) for each of the thermally treated (85 to 500 C) supports consisting of bare zirconia and Au/ZrO2 catalysts. Furthermore, structural changes in zirconia were accompanied by an increase in crystal size (7 to 58 nm) and contraction of the supports porosity (SSA 532 to 7 m2/g) with increasing thermal treatment. Deposition of gold nanoparticles under similar preparation conditions on different thermally treated zirconia resulted in changes in the mean gold cluster size, ranging from 3.7 to 5.6 nm. Changes in the surface hydroxyl species, support structure and size of the gold centers are important parameters responsible for the observed decrease (> 90 %) in CO conversion activity for the Au/ZrO2 catalysts. Density functional theory calculations provide evidence of increased CO binding to Au nanoclusters in the presence of surface hydroxyls on zirconia, which increases charge transfer at the perimeter of the gold nanocluster on zirconia support. This further helps in reducing a model CO-oxidation reaction barrier in the presence of surface hydroxyls. This work demonstrates the need to understand the structure-activity relationship of both the support and active particles for the design of catalytic materials.

  8. A Pyrrolyl-based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions

    SciTech Connect (OSTI)

    Sessler, Jonathan L.; Cia, Jiajia; Gong, Han-Yuan; Yang, Xiauping; Arambula, Jonathan F.; Hay, Benjamin

    2010-01-01

    A pyrrolyl-based triazolophane, incorporating CH and NH donor groups, acts as a receptor for the pyrophosphate anion in chloroform solution. It shows selectivity for this trianion, followed by HSO{sub 4}{sup -} > H{sub 2}PO{sub 4}{sup -} > Cl{sup -} > Br{sup -} (all as the corresponding tetrabutylammonium salts), with NH-anion interactions being more important than CH-anion interactions. In the solid state, the receptor binds the pyrophosphate anion in a clip-like slot via NH and CH hydrogen bonds.

  9. Separation of niobium and tantalum using a chelating ion exchange resin with N-benzoyl phenyl hydroxyl amine as functional group

    SciTech Connect (OSTI)

    Pobi, M.; Das, J. )

    1993-04-01

    Niobium is separated from Ta and V by elution with 0.5 M HF in a column of chelating resin containing N-benzoyl-N-phenyl-hydroxylamine (NBPHA) as a function group. Niobium and tantalum can also be separated using their differential distribution coefficient and elution behavior, monitored by radiometric and also be spectrophotometric methods. 15 refs., 1 fig., 2 tabs.

  10. Ammonia formation from NO reaction with surface hydroxyls on...

    Office of Scientific and Technical Information (OSTI)

    insight about the interactions of NO with hydroxyl groups on TiO2(110) . Authors: Kim, Boseong ; Kay, Bruce D. ; Dohnalek, Zdenek ; Kim, Yu Kwon Publication Date:...

  11. Department of Justice: CH2M Hill Hanford Group Inc. Admits Criminal Conduct, Parent Company Agrees to Cooperate in Ongoing Investigation and Pay $18.5 Million to Resolve Civil and Criminal Allegations

    Broader source: Energy.gov [DOE]

    The Justice Department, in conjunction with the U.S. Attorney’s Office for the Eastern District of Washington, announced today that Colorado-based CH2M Hill Hanford Group Inc. (CHG) and its parent company, CH2M Hill Companies Ltd. (CH2M Hill) have agreed that CHG committed federal criminal violations, defrauding the public by engaging in years of widespread time card fraud.

  12. Anaerobic dehalogenation of hydroxylated polychlorinated biphenyls by Desulfitobacterium dehalogenans

    SciTech Connect (OSTI)

    Wiegel, J.; Zhang, X.; Wu, Q.

    1999-05-01

    Ten years after reports on the existence of anaerobic dehalogenation of polychlorinated biphenyls (PCBs) in sediment slurries, the authors report here on the rapid reductive dehalogenation of para-hydroxylated PCBs (HO-PCBs), the excreted main metabolites of PCB in mammals, which can exhibit estrogenic and antiestrogenic activities in humans. The anaerobic bacterium Desulfitobacterium dehalogenans completely dehalogenates all flanking chlorines (chlorines in ortho position to the para-hydroxyl group) from congeners such as 3,3{prime},5,5{prime}-tetrachloro-4,4{prime}-dihydroxybiphenyl.

  13. Reactivity of perovskites with water: Role of hydroxylation in...

    Office of Scientific and Technical Information (OSTI)

    Reactivity of perovskites with water: Role of hydroxylation in wetting and implications ... Title: Reactivity of perovskites with water: Role of hydroxylation in wetting and ...

  14. Structure, electronic properties, and aggregation behavior of hydroxylated carbon nanotubes

    SciTech Connect (OSTI)

    Lpez-Oyama, A. B.; Silva-Molina, R. A.; Ruz-Garca, J.; Guirado-Lpez, R. A.; Gmez-Corrales, R.

    2014-11-07

    We present a combined experimental and theoretical study to analyze the structure, electronic properties, and aggregation behavior of hydroxylated multiwalled carbon nanotubes (OHMWCNT). Our MWCNTs have average diameters of ?2 nm, lengths of approximately 100300 nm, and a hydroxyl surface coverage ??0.1. When deposited on the air/water interface the OHMWCNTs are partially soluble and the floating units interact and link with each other forming extended foam-like carbon networks. Surface pressure-area isotherms of the nanotube films are performed using the Langmuir balance method at different equilibration times. The films are transferred into a mica substrate and atomic force microscopy images show that the foam like structure is preserved and reveals fine details of their microstructure. Density functional theory calculations performed on model hydroxylated carbon nanotubes show that low energy atomic configurations are found when the OH groups form molecular islands on the nanotube's surface. This patchy behavior for the OH species is expected to produce nanotubes having reduced wettabilities, in line with experimental observations. OH doping yields nanotubes having small HOMOLUMO energy gaps and generates a nanotube ? OH direction for the charge transfer leading to the existence of more hole carriers in the structures. Our synthesized OHMWCNTs might have promising applications.

  15. DISCOVERY OF 6.035 GHz HYDROXYL MASER FLARES IN IRAS 18566+0408

    SciTech Connect (OSTI)

    Al-Marzouk, A. A.; Araya, E. D.; Hofner, P.; Kurtz, S.; Linz, H.; Olmi, L.

    2012-05-10

    We report the discovery of 6.035 GHz hydroxyl (OH) maser flares toward the massive star-forming region IRAS 18566+0408 (G37.55+0.20), which is the only region known to show periodic formaldehyde (4.8 GHz H{sub 2}CO) and methanol (6.7 GHz CH{sub 3}OH) maser flares. The observations were conducted between 2008 October and 2010 January with the 305 m Arecibo Telescope in Puerto Rico. We detected two flare events, one in 2009 March and one in 2009 September to November. The OH maser flares are not simultaneous with the H{sub 2}CO flares, but may be correlated with CH{sub 3}OH flares from a component at corresponding velocities. A possible correlated variability of OH and CH{sub 3}OH masers in IRAS 18566+0408 is consistent with a common excitation mechanism (IR pumping) as predicted by theory.

  16. Poly(hydroxyl urethane) compositions and methods of making and...

    Office of Scientific and Technical Information (OSTI)

    Poly(hydroxyl urethane) compositions and methods of making and using the same Citation Details In-Document Search Title: Poly(hydroxyl urethane) compositions and methods of making...

  17. Aromatic-Hydroxyl Interaction of a Lignin Model Compound on SBA-15, Present at Pyrolysis Temperatures

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

    Kandziolka, III, Michael V.; Kidder, Michelle; Gill, Lance W.; Wu, Zili; Savara, Aditya Ashi

    2014-07-14

    An aromatic alpha-aryl ether compound (a benzyl phenyl ether analogue) was covalently grafted to mesoporous silica SBA-15, to create BPEa-SBA-15. The BPEa-SBA-15 was subjected to successive heating cycles up to 600 °C, with in situ monitoring by DRIFTS. It was found that the toluene moiety coordinates to SBA-15 surface silanol hydroxyl groups via an aromatic–hydroxyl interaction. This interaction is evidenced by a red-shift of the aromatic C–H stretches, as well as a red-shift and broadening of the surface hydroxyl O–H stretches, which are features characteristic of a hydrogen bond. These features remain present during heating until ~400 °C whereupon themore » ether linkage of BPEa-SBA-15 is cleaved, accompanied by loss of the toluene moiety.« less

  18. Plutonium Uptake By Brucite And Hydroxylated Periclase

    SciTech Connect (OSTI)

    Farr, J.D.; Neu, M.P.; Schulze, R.K.; Honeyman, B.D.

    2009-06-02

    Batch adsorption experiments and spectroscopic investigations consistently show that aqueous Pu(IV) is quickly removed from solution and becomes incorporated in a brucite or hydroxylated MgO surface to a depth of at least 50 nm, primarily as Pu(IV) within a pH range of 8.5--12.5, and is unaffected by the presence of the organic ligand, citrate. X-ray photoelectron spectroscopy (XPS), X-ray absorption fine structure (XAFS) and Rutherford backscattering spectroscopy (RBS) were used to estimate Pu penetration depth and provide information about its chemical state.

  19. Schulthess Group | Open Energy Information

    Open Energy Info (EERE)

    Group Jump to: navigation, search Name: Schulthess Group Place: Wolfhausen, Switzerland Zip: CH-8633 Product: A company with activities in regenerative energy production,...

  20. TRITEC Group | Open Energy Information

    Open Energy Info (EERE)

    TRITEC Group Jump to: navigation, search Name: TRITEC Group Place: Basel, Switzerland Zip: CH-4123 Product: Basel-based installer and distributor for PV products. Coordinates:...

  1. ch_5

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

    45 DOE/EIS-0287 Idaho HLW & FD EIS 5.3.4.2 Existing Facilities Associated with High-Level Waste Management The facilities in this group are those that have historically been used at the INTEC to generate, treat, and store HLW. Because of the number of facilities involved, DOE has grouped them in functional groups for purposes of analysis (see Table 3-3). DOE analyzed the HLW tanks and bin sets for closure under all five disposition sce- narios; however, facilities that support the Tank Farm

  2. ch_12

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

    .0 12.0 Distribution Distribution List List - New Information - 12-1 DOE/EIS-0287 The U.S. Department of Energy (DOE) pro- vided copies of this Final Environmental Impact Statement (EIS) to Federal, state, and local elected and appointed officials and agencies of government; Native American groups; national, state, and local environmental and public interest groups; and other organizations and individuals list- ed below. In addition, DOE sent copies of the Final EIS to all persons who comment-

  3. Poly(hydroxyl urethane) compositions and methods of making and using the same

    DOE Patents [OSTI]

    Luebke, David; Nulwala, Hunaid; Tang, Chau

    2014-12-16

    Methods and compositions relating to poly(hydroxyl urethane) compounds are described herein that are useful as, among other things, binders and adhesives. The cross-linked composition is achieved through the reaction of a cyclic carbonate, a compound having two or more thiol groups, and a compound having two or more amine functional groups. In addition, a method of adhesively binding two or more substrates using the cross-linked composition is provided.

  4. Preindustrial to present-day changes in tropospheric hydroxyl...

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

    Room, GFDL Preindustrial to present-day changes in tropospheric hydroxyl radical and methane lifetime from the ACCMIP Vaishali Naik GFDL Preindustrial to present-day changes in...

  5. The Electronic Structure of Oxygen Atom Vacancy and Hydroxyl...

    Office of Scientific and Technical Information (OSTI)

    Title: The Electronic Structure of Oxygen Atom Vacancy and Hydroxyl Impurity Defects on Titanium Dioxide (110) Surface Introducing a charge into a solid such as a metal oxide ...

  6. ch_3

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

    47 DOE/EIS-0287 Idaho HLW & FD EIS has been provided to the public, committed DOE to restoring the existing contaminated groundwater plume outside the INTEC security fence to meet the current drinking water stan- dard of 4 millirem per year. A performance assessment would be developed for each facility or group of facilities under consideration for disposition, to determine which of the three disposition alternatives would be implemented. The performance assessment results would be used to

  7. ch_4

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

    58 Affected Environment 4.9.1 PLANT COMMUNITIES AND ASSOCIATIONS INEEL lies within a cool desert ecosystem dom- inated by shrub-steppe vegetation. The area is relatively undisturbed, providing important habi- tat for species native to the region. Vegetation and habitat on INEEL can be grouped into six types: shrub-steppe, juniper woodlands, native grasslands, modified ephemeral playas, lava, and wetland-like areas. Figure 4-16 shows these areas. More than 90 percent of INEEL falls within the

  8. Nucleosides with 5'-O-photolabile protecting groups

    DOE Patents [OSTI]

    Foote, Robert S.; Sachleben, Richard A.

    1996-09-17

    Nucleosides with photolabile protecting groups on the 5'-hydroxyl. These nucleosides are useful in the sythesis of nucleic acids on solid-state arrays.

  9. Rates and mechanism of the reactions of hydroxyl radicals with acetic, deuterated acetic, and propionic acids in the gas phase

    SciTech Connect (OSTI)

    Singleton, D.L.; Paraskevopoulos, G.; Irwin, R.S. )

    1989-07-05

    Rate constants for the reactions of hydroxyl radicals with the monomer and dimer of acetic acid, deuterated acetic acids, and propionic acid have been determined by a laser photolysis-resonance absorption technique. Hydroxyl radicals were generated by photolysis of the acids at 222 nm with a KrCl laser and their decay was followed by time-resolved resonance absorption. The monomers of acetic and deuterated acetic acids reacted with OH much faster than the dimers, whereas the monomer and dimer of propionic acid reacted with about equal rate constants. A primary isotope effect was observed when carboxylic but not alkyl hydrogen was substituted by deuterium in acetic acid. The results are entirely consistent with the two-channel mechanism that we proposed for the reaction of OH with formic acid. The results are interpreted in terms of the variations in C-H bond strengths and in equilibrium constants for adduct formation of the acids studied.

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

    SciTech Connect (OSTI)

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

    2012-07-27

    Highlights: Black-Right-Pointing-Pointer The action the copper complexes and tyrosinase on phenols is equivalent. Black-Right-Pointing-Pointer Isotope effect showed that nucleophilic attack to copper atom may be the slower step. Black-Right-Pointing-Pointer The value of {rho} (Hammett constant) supports an electrophilic aromatic substitution. Black-Right-Pointing-Pointer Data obtained in steady state pH 7 conditions support the mechanism of Scheme 1SM. -- Abstract: A study of the monophenolase activity of tyrosinase by measuring the steady state rate with a group of p-substituted monophenols provides the following kinetic information: k{sub cat}{sup m} and the Michaelis constant, K{sub M}{sup m}. Analysis of these data taking into account chemical shifts of the carbon atom supporting the hydroxyl group ({delta}) and {sigma}{sub p}{sup +}, enables a mechanism to be proposed for the transformation of monophenols into o-diphenols, in which the first step is a nucleophilic attack on the copper atom on the form E{sub ox} (attack of the oxygen of the hydroxyl group of C-1 on the copper atom) followed by an electrophilic attack (attack of the hydroperoxide group on the ortho position with respect to the hydroxyl group of the benzene ring, electrophilic aromatic substitution with a reaction constant {rho} of -1.75). These steps show the same dependency on the electronic effect of the substituent groups in C-4. Furthermore, a study of a solvent deuterium isotope effect on the oxidation of monophenols by tyrosinase points to an appreciable isotopic effect. In a proton inventory study with a series of p-substituted phenols, the representation of k{sub cat}{sup f{sub n}}/k{sub cat}{sup f{sub 0}} against n (atom fractions of deuterium), where k{sub cat}{sup f{sub n}} is the catalytic constant for a molar fraction of deuterium (n) and k{sub cat}{sup f{sub 0}} is the corresponding kinetic parameter in a water solution, was linear for all substrates. These results indicate that

  11. Graphene Oxide Catalyzed C-H Bond Activation: The Importance...

    Office of Scientific and Technical Information (OSTI)

    Graphene Oxide Catalyzed C-H Bond Activation: The Importance Oxygen Functional Groups for Biaryl Construction Citation Details In-Document Search Title: Graphene Oxide Catalyzed C-...

  12. Regioselective alkane hydroxylation with a mutant AlkB enzyme

    SciTech Connect (OSTI)

    Koch, Daniel J.; Arnold, Frances H.

    2012-11-13

    AlkB from Pseudomonas putida was engineered using in-vivo directed evolution to hydroxylate small chain alkanes. Mutant AlkB-BMO1 hydroxylates propane and butane at the terminal carbon at a rate greater than the wild-type to form 1-propanol and 1-butanol, respectively. Mutant AlkB-BMO2 similarly hydroxylates propane and butane at the terminal carbon at a rate greater than the wild-type to form 1-propanol and 1-butanol, respectively. These biocatalysts are highly active for small chain alkane substrates and their regioselectivity is retained in whole-cell biotransformations.

  13. Hydroxyl radical production in plasma electrolysis with KOH electrolyte solution

    SciTech Connect (OSTI)

    Saksono, Nelson; Febiyanti, Irine Ayu Utami, Nissa; Ibrahim

    2015-12-29

    Plasma electrolysis is an effective technology for producing hydroxyl radical (•OH). This method can be used for waste degradation process. This study was conducted to obtain the influence of applied voltage, electrolyte concentration, and anode depth in the plasma electrolysis system for producing hydroxyl radical. The materials of anode and cathode, respectively, were made from tungsten and stainless steel. KOH solution was used as the solution. Determination of hydroxyl radical production was done by measuring H{sub 2}O{sub 2} amount formed in plasma system using an iodometric titration method, while the electrical energy consumed was obtained by measuring the electrical current throughout the process. The highest hydroxyl radical production was 3.51 mmol reached with 237 kJ energy consumption in the power supply voltage 600 V, 0.02 M KOH, and 0.5 cm depth of anode.

  14. CH Packaging Operations Manual

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-06-26

    Introduction - This procedure provides instructions for assembling the following CH packaging payload: -Drum payload assembly -Standard Waste Box (SWB) assembly -Ten-Drum Overpack (TDOP).

  15. Promotional effect of surface hydroxyls on electrochemical reduction of CO2 over SnOx/Sn electrode

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

    Cui, Chaonan; Han, Jinyu; Zhu, Xinli; Liu, Xiao; Wang, Hua; Mei, Donghai; Ge, Qingfeng

    2016-01-16

    In this study, tin oxide (SnOx) formation on tin-based electrode surfaces during CO2 electrochemical reduction can have a significant impact on the activity and selectivity of the reaction. In the present study, density functional theory (DFT) calculations have been performed to understand the role of SnOx in CO2 reduction using a SnO monolayer on the Sn(112) surface as a model for SnOx. Water molecules have been treated explicitly and considered actively participating in the reaction. The results showed that H2O dissociates on the perfect SnO monolayer into two hydroxyl groups symmetrically on the surface. CO2 energetically prefers to react withmore » the hydroxyl, forming a bicarbonate (HCO3(t)*) intermediate, which can then be reduced to either formate (HCOO*) by hydrogenating the carbon atom or carboxyl (COOH*) by protonating the oxygen atom. Both steps involve a simultaneous Csingle bondO bond breaking. Further reduction of HCOO* species leads to the formation of formic acid in the acidic solution at pH < 4, while the COOH* will decompose to CO and H2O via protonation. Whereas the oxygen vacancy (VO) in the oxide monolayer maybe formed by the reduction, it can be recovered by H2O dissociation, resulting in two embedded hydroxyl groups. The results show that the hydroxylated surface with two symmetric hydroxyls is energetically more favorable for CO2 reduction than the hydroxylated VO surface with two embedded hydroxyls. The reduction potential for the former has a limiting-potential of –0.20 V (RHE), lower than that for the latter (–0.74 V (RHE)). Compared to the pure Sn electrode, the formation of SnOx monolayer on the electrode under the operating conditions promotes CO2 reduction more effectively by forming surface hydroxyls, thereby providing a new channel via COOH* to the CO formation, although formic acid is still the major reduction product.« less

  16. CH Packaging Operations Manual

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-06-13

    This procedure provides instructions for assembling the CH Packaging Drum payload assembly, Standard Waste Box (SWB) assembly, Abnormal Operations and ICV and OCV Preshipment Leakage Rate Tests on the packaging seals, using a nondestructive Helium (He) Leak Test.

  17. A new coordination mode of (E)-3-(3-hydroxyl-phenyl)-acrylic acid in copper complex: Crystal structure and magnetic properties

    SciTech Connect (OSTI)

    Jin, Xin; Zhou, Pei; Zheng, Chunying; Li, Hui

    2015-05-15

    A copper complex ([Cu(py){sub 2}(L){sub 2}]·2CH{sub 3}OH){sub n} (HL=(E)-3-(3-hydroxyl-phenyl)-acrylic acid) (1) with acrylic acid ligand was synthesized and structurally analyzed by IR, elemental analysis, TGA and the single-crystal X-ray diffraction methods. It is the first time to find that phenolic hydroxyl of L coordinates to Cu(II). Complex 1 exhibits 1D chain by a double-bridge of ligands, and the 3D supramolecular framework in complex 1 is constructed by π–π stacking interactions and van der Waals Contacts among the 1D chains. The magnetic properties of complex 1 have been studied. - Graphical abstract: A copper complex based on (E)-3-(3-hydroxyl-phenyl)-acrylic acid in a novel coordinated way was synthesized and a ferromagnetic exchange interactions between neighboring Cu(II) ions has be achieved. - Highlights: • A new copper complex with acrylic acid ligand was synthesized and analyzed. • We find the phenolic hydroxyl of MCA ligand coordinates to metal ion firstly. • A ferromagnetic exchange interactions between Cu(II) ions has been achieved.

  18. Production of hydroxylated fatty acids in genetically modified plants

    DOE Patents [OSTI]

    Somerville, Chris; Broun, Pierre; van de Loo, Frank

    2001-01-01

    This invention relates to plant fatty acyl hydroxylases. Methods to use conserved amino acid or nucleotide sequences to obtain plant fatty acyl hydroxylases are described. Also described is the use of cDNA clones encoding a plant hydroxylase to produce a family of hydroxylated fatty acids in transgenic plants.

  19. Room temperature atomic layerlike deposition of ZnS on organic thin films: Role of substrate functional groups and precursors

    SciTech Connect (OSTI)

    Shi, Zhiwei; Walker, Amy V.

    2015-09-15

    The room temperature atomic layerlike deposition (ALLD) of ZnS on functionalized self-assembled monolayers (SAMs) was investigated, using diethyl zinc (DEZ) and in situ generated H{sub 2}S as reactants. Depositions on SAMs with three different terminal groups, –CH{sub 3,} –OH, and –COOH, were studied. It was found that the reaction of DEZ with the SAM terminal group is critical in determining the film growth rate. Little or no deposition is observed on –CH{sub 3} terminated SAMs because DEZ does not react with the methyl terminal group. ZnS does deposit on both –OH and –COOH terminated SAMs, but the grow rate on –COOH terminated SAMs is ∼10% lower per cycle than on –OH terminated SAMs. DEZ reacts with the hydroxyl group on –OH terminated SAMs, while on –COOH terminated SAMs it reacts with both the hydroxyl and carbonyl bonds of the terminal groups. The carbonyl reaction is found to lead to the formation of ketones rather than deposition of ZnS, lowering the growth rate on –COOH terminated SAMs. SIMS spectra show that both –OH and –COOH terminated SAMs are covered by the deposited ZnS layer after five ALLD cycles. In contrast to ZnO ALLD where the composition of the film differs for the first few layers on –COOH and –OH terminated SAMs, the deposited film composition is the same for both –COOH and –OH terminated SAMs. The deposited film is found to be Zn-rich, suggesting that the reaction of H{sub 2}S with the Zn-surface adduct may be incomplete.

  20. Ability of TiO2(110) Surface to Be Fully Hydroxylated and Fully Reduced

    SciTech Connect (OSTI)

    Wang, Zhitao; Garcia, Juan C.; Deskins, N. A.; Lyubinetsky, Igor

    2015-08-06

    Many TiO2 applications (e.g., in heterogeneous catalysis) involve contact with ambient atmosphere and/or water. The resulting hydroxylation can significantly alter its surface properties. While behavior of single, isolated OH species on the model metal oxide surface of rutile TiO2(110) is relatively well understood, much less is known regarding highly-hydroxylated surfaces and/or whether TiO2(110) could be fully-hydroxylated under ultra-high vacuum conditions. Here we report in situ formation of a well-ordered, fully-hydroxylated TiO2(110)-(1 x 1) surface using an enhanced photochemical approach, key parts of which are pre-dosing of water and multi-step dissociative adsorption and subsequent photolysis of the carboxylic (trimethyl acetic) acid. Combining scanning tunneling microscopy, ultra-violet photoelectron spectroscopy and density functional theory results, we show that the attained super OH surface is also fully-reduced, as a result of the photochemical trapping of electrons at the OH groups.

  1. Production of hydroxylated fatty acids in genetically modified plants

    DOE Patents [OSTI]

    Somerville, Chris; Broun, Pierre; van de Loo, Frank; Boddupalli, Sekhar S.

    2005-08-30

    This invention relates to plant fatty acyl hydroxylases. Methods to use conserved amino acid or nucleotide sequences to obtain plant fatty acyl hydroxylases are described. Also described is the use of cDNA clones encoding a plant hydroxylase to produce a family of hydroxylated fatty acids in transgenic plants. In addition, the use of genes encoding fatty acid hydroxylases or desaturases to alter the level of lipid fatty acid unsaturation in transgenic plants is described.

  2. Production of hydroxylated fatty acids in genetically modified plants

    DOE Patents [OSTI]

    Somerville, Chris; Broun, Pierre; van de Loo, Frank; Boddupalli, Sekhar S.

    2011-08-23

    This invention relates to plant fatty acyl hydroxylases. Methods to use conserved amino acid or nucleotide sequences to obtain plant fatty acyl hydroxylases are described. Also described is the use of cDNA clones encoding a plant hydroxylase to produce a family of hydroxylated fatty acids in transgenic plants. In addition, the use of genes encoding fatty acid hydroxylases or desaturases to alter the level of lipid fatty acid unsaturation in transgenic plants is described.

  3. Predicting tropospheric ozone and hydroxyl radical in a global, three-dimensional, chemistry, transport, and deposition model

    SciTech Connect (OSTI)

    Atherton, C.S.

    1995-01-05

    Two of the most important chemically reactive tropospheric gases are ozone (O{sub 3}) and the hydroxyl radical (OH). Although ozone in the stratosphere is a necessary protector against the sun`s radiation, tropospheric ozone is actually a pollutant which damages materials and vegetation, acts as a respiratory irritant, and is a greenhouse gas. One of the two main sources of ozone in the troposphere is photochemical production. The photochemistry is initiated when hydrocarbons and carbon monoxide (CO) react with nitrogen oxides (NO{sub x} = NO + NO{sub 2}) in the presence of sunlight. Reaction with the hydroxyl radical, OH, is the main sink for many tropospheric gases. The hydroxyl radical is highly reactive and has a lifetime on the order of seconds. Its formation is initiated by the photolysis of tropospheric ozone. Tropospheric chemistry involves a complex, non-linear set of chemical reactions between atmospheric species that vary substantially in time and space. To model these and other species on a global scale requires the use of a global, three-dimensional chemistry, transport, and deposition (CTD) model. In this work, I developed two such three dimensional CTD models. The first model incorporated the chemistry necessary to model tropospheric ozone production from the reactions of nitrogen oxides with carbon monoxide (CO) and methane (CH{sub 4}). The second also included longer-lived alkane species and the biogenic hydrocarbon isoprene, which is emitted by growing plants and trees. The models` ability to predict a number of key variables (including the concentration of O{sub 3}, OH, and other species) were evaluated. Then, several scenarios were simulated to understand the change in the chemistry of the troposphere since preindustrial times and the role of anthropogenic NO{sub x} on present day conditions.

  4. CH-TRUCON Rev. 21, January 2008

    Office of Environmental Management (EM)

    DOEWIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 January 2008 ... 01-3194 2 DOEWIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 ...

  5. HASQARD Focus Group

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

    6 The meeting was called to order by Jonathan Sanwald, HASQARD Focus Group Chair at 2:10 PM on April 19, 2016 in Conference Room 308 at 2420 Stevens. Those attending were: Jonathan Sanwald (Mission Support Alliance (Mission Support Alliance (MSA)), Focus Group Chair), Cliff Watkins (Corporate Allocation Services, DOE-RL Support Contractor, Focus Group Secretary), Marcus Aranda (Wastren Advantage Inc. Wastren Hanford Laboratory (WHL)), Joe Archuleta (CH2M HILL Plateau Remediation Company

  6. Future Directions of Structural Mass Spectrometry using Hydroxyl Radical Footprinting

    SciTech Connect (OSTI)

    J Kiselar; M Chance

    2011-12-31

    Hydroxyl radical protein footprinting coupled to mass spectrometry has been developed over the last decade and has matured to a powerful method for analyzing protein structure and dynamics. It has been successfully applied in the analysis of protein structure, protein folding, protein dynamics, and protein-protein and protein-DNA interactions. Using synchrotron radiolysis, exposure of proteins to a 'white' X-ray beam for milliseconds provides sufficient oxidative modification to surface amino acid side chains, which can be easily detected and quantified by mass spectrometry. Thus, conformational changes in proteins or protein complexes can be examined using a time-resolved approach, which would be a valuable method for the study of macromolecular dynamics. In this review, we describe a new application of hydroxyl radical protein footprinting to probe the time evolution of the calcium-dependent conformational changes of gelsolin on the millisecond timescale. The data suggest a cooperative transition as multiple sites in different molecular subdomains have similar rates of conformational change. These findings demonstrate that time-resolved protein footprinting is suitable for studies of protein dynamics that occur over periods ranging from milliseconds to seconds. In this review, we also show how the structural resolution and sensitivity of the technology can be improved as well. The hydroxyl radical varies in its reactivity to different side chains by over two orders of magnitude, thus oxidation of amino acid side chains of lower reactivity are more rarely observed in such experiments. Here we demonstrate that the selected reaction monitoring (SRM)-based method can be utilized for quantification of oxidized species, improving the signal-to-noise ratio. This expansion of the set of oxidized residues of lower reactivity will improve the overall structural resolution of the technique. This approach is also suggested as a basis for developing hypothesis

  7. Ammonia formation from NO reaction with surface hydroxyls on rutile TiO2 (110) - 11

    SciTech Connect (OSTI)

    Kim, Boseong; Kay, Bruce D.; Dohnalek, Zdenek; Kim, Yu Kwon

    2015-01-15

    The reaction of NO with hydroxylated rutile TiO2(110)-11 surface (h-TiO2) was investigated as a function of NO coverage using temperature-programmed desorption. Our results show that NO reaction with h-TiO2 leads to formation of NH3 which is observed to desorb at ~ 400 K. Interestingly, the amount of NH3 produced depends nonlinearly on the coverage of NO. The yield increases up to a saturation value of ~1.31013 NH3/cm2 at a NO dose of 51013 NO/cm2, but subsequently decreases at higher NO doses. Preadsorbed H2O is found to have a negligible effect on the NH3 desorption yield. Additionally, no NH3 is formed in the absence of surface hydroxyls (HObs) upon coadsorption of NO and H2O on a stoichiometric TiO2(110) (s-TiO2(110)). Based on these observations, we conclude that nitrogen from NO has a strong preference to react with HObs on the bridge-bonded oxygen rows (but not with H2O) to form NH3. The absolute NH3 yield is limited by competing reactions of HOb species with titanium-bound oxygen adatoms to form H2O. Our results provide new mechanistic insight about the interactions of NO with hydroxyl groups on TiO2(110) .

  8. Bobst Group SA | Open Energy Information

    Open Energy Info (EERE)

    Bobst Group SA Jump to: navigation, search Name: Bobst Group SA Place: Susanne, Switzerland Zip: CH-1001 Sector: Services Product: A Swiss-based company that supplies equipment and...

  9. Iron(IV)hydroxide pKa and the Role of Thiolate Ligation in C-H Bond

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

    Activation by Cytochrome P450 | Stanford Synchrotron Radiation Lightsource Iron(IV)hydroxide pKa and the Role of Thiolate Ligation in C-H Bond Activation by Cytochrome P450 Saturday, May 31, 2014 Cytochrome P450s (P450s) are a family of monooxygenase enzymes that are nearly ubiquitous in nature. P450s are often described as biological blowtorches due to their incredible oxidizing power:1 They can hydroxylate C-H bonds of about 98-100 kcal/mol. P450s are responsible for the phase I metabolism

  10. Spectroscopy and reaction dynamics of collision complexes containing hydroxyl radicals

    SciTech Connect (OSTI)

    Lester, M.I.

    1993-12-01

    The DOE supported work in this laboratory has focused on the spectroscopic characterization of the interaction potential between an argon atom and a hydroxyl radical in the ground X{sup 2}II and excited A {sup 2}{summation}{sup +} electronic states. The OH-Ar system has proven to be a test case for examining the interaction potential in an open-shell system since it is amenable to experimental investigation and theoretically tractable from first principles. Experimental identification of the bound states supported by the Ar + OH (X {sup 2}II) and Ar + OH(A {sup 2}{summation}{sup +}) potentials makes it feasible to derive realistic potential energy surfaces for these systems. The experimentally derived intermolecular potentials provide a rigorous test of ab initio theory and a basis for understanding the dramatically different collision dynamics taking place on the ground and excited electronic state surfaces.

  11. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-06-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  12. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-12-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  13. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-06-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  14. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-09-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  15. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-05-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  16. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-01-18

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  17. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-02-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  18. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  19. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-12-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  20. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  1. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-11-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  2. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  3. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-06-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  4. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-09-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  5. CH-TRU Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-10-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  6. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2004-10-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  7. CH-TRU Waste Content Codes (CH TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2004-12-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  8. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-03-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  9. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-01-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codesand corresponding shipping categories for "Controlled Shipments

  10. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-01-30

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  11. NOPR CH2M | Department of Energy

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

    CH2M NOPR CH2M NOPR CH2M (62.16 KB) More Documents & Publications NOPR NEI NEI Statement DOE Workshop 02 20 FINAL NOPR CIGNL

  12. DOE Cites CH2M Hill Hanford for Violating Nuclear Safety Rules | Department

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

    of Energy for Violating Nuclear Safety Rules DOE Cites CH2M Hill Hanford for Violating Nuclear Safety Rules March 10, 2005 - 10:44am Addthis Hanford Tank Farm Contractor Faces Fine of more than $300,000 WASHINGTON, DC - The Department of Energy (DOE) today notified the CH2M Hill Hanford Group, Inc. (CH2M Hill) - that it will fine the company $316,250 for violations of the department's nuclear safety requirements. CH2M Hill is the department's contractor responsible for storage of highly

  13. HASQARD Focus Group - Hanford Site

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

    Contracting Wastren Advantage, Inc. HASQARD Focus Group Contracting ORP Contracts and Procurements RL Contracts and Procurements CH2M HILL Plateau Remediation Company Mission Support Alliance Washington Closure Hanford HPM Corporation (HPMC) Wastren Advantage, Inc. Analytical Services HASQARD Focus Group Bechtel National, Inc. Washington River Protection Solutions HASQARD Focus Group Email Email Page | Print Print Page | Text Increase Font Size Decrease Font Size HASQARD Document HASQARD

  14. Laser smoothing of sub-micron grooves in hydroxyl-rich fused silica

    SciTech Connect (OSTI)

    Shen, N; Matthews, M J; Fair, J E; Britten, J A; Nguyen, H T; Cooke, D; Elhadj, S; Yang, S T

    2009-10-30

    Nano- to micrometer-sized surface defects on UV-grade fused silica surfaces are known to be effectively smoothed through the use of high-temperature localized CO{sub 2} laser heating, thereby enhancing optical properties. However, the details of the mass transport and the effect of hydroxyl content on the laser smoothing of defective silica at submicron length scales is still not completely understood. In this study, we examine the morphological evolution of sub-micron, dry-etched periodic surface structures on type II and type III SiO{sub 2} substrates under 10.6 {micro}m CO{sub 2} laser irradiation using atomic force microscopy (AFM). In-situ thermal imaging was used to map the transient temperature field across the heated region, allowing assessment of the T-dependent mass transport mechanisms under different laser-heating conditions. Computational fluid dynamics simulations correlated well with experimental results, and showed that for large effective capillary numbers (N{sub c} > 2), surface diffusion is negligible and smoothing is dictated by capillary action, despite the relatively small spatial scales studied here. Extracted viscosity values over 1700-2000K were higher than the predicted bulk values, but were consistent with the surface depletion of OH groups, which was confirmed using confocal Raman microscopy.

  15. Preindustrial to present-day changes in tropospheric hydroxyl radical and

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

    methane lifetime from the ACCMIP | Princeton Plasma Physics Lab July 17, 2013, 12:00pm to 1:00pm Geophysical Fluid Dynamics Laboratory Smagorinsky Seminar Room, GFDL Preindustrial to present-day changes in tropospheric hydroxyl radical and methane lifetime from the ACCMIP Vaishali Naik GFDL Preindustrial to present-day changes in tropospheric hydroxyl radical and methane lifetime from the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP) Contact Information Website:

  16. CH-TRUCON Rev. 21, January 2008

    Office of Environmental Management (EM)

    DOE/WIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 January 2008 This document supercedes DOE/WIPP 01-3194, Revision 20 CH-TRUCON, Rev. 21, January 2008 DOE/WIPP 01-3194 2 DOE/WIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 January 2008 Approved by: [Signature on File] Date:____________ D. Casey Gadbury, National TRU Program Director CH-TRUCON, Rev. 21, January 2008 DOE/WIPP 01-3194 3 This document has been submitted as required to: Office of

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

    Office of Scientific and Technical Information (OSTI)

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

  18. Computational observation of enhanced solvation of the hydroxyl radical with increased NaCl concentration

    SciTech Connect (OSTI)

    Wick, Collin D.; Dang, Liem X.

    2006-05-11

    Classical molecular dynamics simulations with many-body potentials were carried out to quantitatively determine the effect of NaCl salt concentration on the aqueous solvation and surface concentration of hydroxyl radicals. The potential of mean force technique was used to track the incremental free energy of the hydroxyl radical from the vapor, crossing the air-water interface into the aqueous bulk. Results showed increased NaCl salt concentration significantly enhanced hydroxyl radical solvation, which should significantly increase its accommodation on water droplets. This has been experimentally observed for ozone aqueous accommodation with increased NaI concentration, but to our knowledge, no experimental study has probed this for hydroxyl radicals. The origin for this effect was found to be very favorable hydroxyl radical-chloride ion interactions, being stronger than for water-chloride. This work was performed at Pacific Northwest National Laboratory (PNNL) under the auspices of the Division of Chemical Sciences, Office of Basic Energy Sciences, U.S. Department of Energy. Battelle operates PNNL for the Department of Energy.

  19. Influence of hydroxyl contents on photocatalytic activities of polymorphic titania nanoparticles

    SciTech Connect (OSTI)

    kaewguna, Sujaree; Nolpha, Christopher A.; Lee, Burtrand I.; Wang, Li Q.

    2009-03-15

    Polymorphic titania nanoparticles, prepared by a Water-based Ambient Condition Sol (WACS) process, were post-treated by a Solvent-based Ambient Condition Sol (SACS) process in sec-butanol. All samples were characterized for phase composition, surface area, lattice hydroxyl contamination, and particle morphology by X-ray diffraction, N2 physisorption, FT-IR, solid state Magic Angle Spinning (MAS) 1H NMR and scanning electron microscopy. The resultswerecompared to acommercial titania, Degussa P25. Evaluation of methyl orange degradation under UV irradiation results showed that the lower lattice hydroxyl content in SACS titania nanoparticles enhances photocatalytic activity. As-prepared titania and post-treated SACS samples, which have similar surface areas and crystallinity, were compared in order to prove that the superior photocatalytic activity came from a reduction in lattice hydroxyl content.

  20. Kinetic deuterium isotope effects on deamination and N-hydroxylation of cyclohexylamine by rabbit liver microsomes

    SciTech Connect (OSTI)

    Kurebayashi, H.

    1989-04-01

    Deuterium isotope effects on the kinetic parameters for deamination and N-hydroxylation of cyclohexylamine (CHA) catalyzed by rabbit liver microsomes with NADPH are investigated. Both reactions are inhibited by carbon monoxide and have the characteristics of typical cytochrome P450-dependent monooxygenase reactions. A small and significant deuterium isotope effect operates in the oxidative deamination of CHA. The apparent isotope effects, i.e., VH/VD and (V/K)H/(V/K)D ratios for deamination, are 1.75 and 1.8-2.3, respectively. On the basis of N-hydroxylation, the VH/VD and (V/K)H/(V/K)D ratios are 0.8-0.9. The N-hydroxylation rate of alpha-deuterated CHA (D-CHA) is somewhat higher than that of CHA. The increased increment of hydroxylamine formation seems to coincide with the decreased amount of deamination. Substitution of deuterium in the alpha-position of CHA results in metabolic switching of cytochrome P450 from deamination to N-hydroxylation with low deuterium isotope effects. The data are interpreted in terms of an initial one-electron abstraction from the nitrogen to form an aminium cation radical followed by recombination with iron-bound hydroxyl radical leading to N-hydroxylamine, or followed by alpha-carbon deprotonation to form a neutral carbon radical. The latter can lead to a carbinolamine intermediate for deamination by way of amine or recombination with nascent iron-bound hydroxyl radical. The relative rates of the reactions depend on the alpha-carbon deprotonation rates of amines.

  1. Regioselective alkane hydroxylation with a mutant CYP153A6 enzyme

    DOE Patents [OSTI]

    Koch, Daniel J.; Arnold, Frances H.

    2013-01-29

    Cytochrome P450 CYP153A6 from Myobacterium sp. strain HXN1500 was engineered using in-vivo directed evolution to hydroxylate small-chain alkanes regioselectively. Mutant CYP153A6-BMO1 selectively hydroxylates butane and pentane at the terminal carbon to form 1-butanol and 1-pentanol, respectively, at rates greater than wild-type CYP153A6 enzymes. This biocatalyst is highly active for small-chain alkane substrates and the regioselectivity is retained in whole-cell biotransformations.

  2. CH

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

    signal is readily suppressed using time-delay methods enabled by femtosecond laser pulses. ... in situ, without the need of labels and without damage to the carbon substrates. ...

  3. CH Packaging Operations for High Wattage Waste

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-01-06

    This document provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP)

  4. Reactivity of perovskites with water: Role of hydroxylation in wetting and implications for oxygen electrocatalysis

    SciTech Connect (OSTI)

    Stoerzinger, Kelsey A.; Hong, Wesley T.; Azimi, Gisele; Crumlin, Ethan J.; Biegalski, Michael D.; Bluhm, Hendrik; Varanasi, Kripa K.; Shao-Horn, Yang; Giordano, Livia; Lee, Yueh -Lin

    2015-07-15

    Oxide materials play an important role in technical applications such as gas sensing and catalysis, where they can react notably with water in vapor or liquid form. We find that the coverage of (*OH) measured at fixed relative humidity trends with the electron donor (basic) character of wetted perovskite oxide surfaces, corresponding to low contact angles when removing a droplet of water. We report for the first time that the affinity toward hydroxylation, coincident with strong adsorption energies calculated for dissociative and molecular adsorption of water, leads to strong H-bonding detrimental to catalysis of the oxygen reduction reaction (ORR). Furthermore, this suggests that hydrophobic oxides with low tendency to hydroxylate may demonstrate improved catalytic activity for the ORR.

  5. Iron hydroxyl phosphate microspheres: Microwave-solvothermal ionic liquid synthesis, morphology control, and photoluminescent properties

    SciTech Connect (OSTI)

    Cao Shaowen; Zhu Yingjie; Cui Jingbiao

    2010-07-15

    A variety of iron hydroxyl phosphate (NH{sub 4}Fe{sub 2}(PO{sub 4}){sub 2}OH.2H{sub 2}O) nanostructures such as solid microspheres, microspheres with the core in the hollow shell, and double-shelled hollow microspheres were synthesized by a simple one-step microwave-solvothermal ionic liquid method. The effects of the experimental parameters on the morphology and crystal phase of the resultant materials were investigated. Structural dependent photoluminescence was observed from the double-shelled hollow microspheres and the underlying mechanisms were discussed. - Graphical abstract: A variety of iron hydroxyl phosphate (NH{sub 4}Fe{sub 2}(PO{sub 4}){sub 2}OH.2H{sub 2}O) nanostructures were synthesized by a simple one-step microwave-solvothermal ionic liquid method. Structural dependent photoluminescence was observed from the double-shelled hollow microspheres.

  6. Reactivity of perovskites with water: Role of hydroxylation in wetting and implications for oxygen electrocatalysis

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

    Stoerzinger, Kelsey A.; Hong, Wesley T.; Azimi, Gisele; Crumlin, Ethan J.; Biegalski, Michael D.; Bluhm, Hendrik; Varanasi, Kripa K.; Shao-Horn, Yang; Giordano, Livia; Lee, Yueh -Lin

    2015-07-15

    Oxide materials play an important role in technical applications such as gas sensing and catalysis, where they can react notably with water in vapor or liquid form. We find that the coverage of (*OH) measured at fixed relative humidity trends with the electron donor (basic) character of wetted perovskite oxide surfaces, corresponding to low contact angles when removing a droplet of water. We report for the first time that the affinity toward hydroxylation, coincident with strong adsorption energies calculated for dissociative and molecular adsorption of water, leads to strong H-bonding detrimental to catalysis of the oxygen reduction reaction (ORR). Furthermore,more » this suggests that hydrophobic oxides with low tendency to hydroxylate may demonstrate improved catalytic activity for the ORR.« less

  7. Chemical characterization of SOA formed from aqueous-phase reactions of phenols with the triplet excited state of carbonyl and hydroxyl radical

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

    Yu, L.; Smith, J.; Laskin, A.; Anastasio, C.; Laskin, J.; Zhang, Q.

    2014-08-19

    Phenolic compounds, which are emitted in significant amounts from biomass burning, can undergo fast reactions in atmospheric aqueous phases to form secondary organic aerosol (aqSOA). In this study, we investigate the reactions of phenol and two methoxy-phenols (syringol and guaiacol) with two major aqueous phase oxidants – the triplet excited states of an aromatic carbonyl (3C*) and hydroxyl radical (·OH). We thoroughly characterize the low-volatility species produced from these reactions and interpret their formation mechanisms using aerosol mass spectrometry (AMS), nanospray desorption electrospray ionization mass spectrometry (nano-DESI MS), and ion chromatography (IC). A large number of oxygenated molecules are identified,more » including oligomers containing up to six monomer units, functionalized monomer and oligomers with carbonyl, carboxyl, and hydroxyl groups, and small organic acid anions (e.g., formate, acetate, oxalate, and malate). The average atomic oxygen-to-carbon (O / C) ratios of phenolic aqSOA are in the range of 0.85–1.23, similar to those of low-volatility oxygenated organic aerosol (LV-OOA) observed in ambient air. The aqSOA compositions are overall similar for the same precursor, but the reactions mediated by 3C* are faster than ·OH-mediated reactions and produce more oligomers and hydroxylated species at the point when 50% of the phenol had reacted. Profiles determined using a thermodenuder indicate that the volatility of phenolic aqSOA is influenced by both oligomer content and O / C ratio. In addition, the aqSOA shows enhanced light absorption in the UV-vis region, suggesting that aqueous-phase reactions of phenols are likely an important source of brown carbon in the atmosphere, especially in regions influenced by biomass burning.« less

  8. Chemical characterization of SOA formed from aqueous-phase reactions of phenols with the triplet excited state of carbonyl and hydroxyl radical

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

    Yu, L.; Smith, J.; Laskin, A.; Anastasio, C.; Laskin, J.; Zhang, Q.

    2014-12-23

    Phenolic compounds, which are emitted in significant amounts from biomass burning, can undergo fast reactions in atmospheric aqueous phases to form secondary organic aerosol (aqSOA). In this study, we investigate the reactions of phenol (compound with formula C6H5OH)), guaiacol (2-methoxyphenol), and syringol (2,6-dimethoxyphenol) with two major aqueous-phase oxidants – the triplet excited states of an aromatic carbonyl (3C*) and hydroxyl radical (· OH). We thoroughly characterize the low-volatility species produced from these reactions and interpret their formation mechanisms using aerosol mass spectrometry (AMS), nanospray desorption electrospray ionization mass spectrometry (nano-DESI MS), and ion chromatography (IC). A large number of oxygenatedmore » molecules are identified, including oligomers containing up to six monomer units, functionalized monomer and oligomers with carbonyl, carboxyl, and hydroxyl groups, and small organic acid anions (e.g., formate, acetate, oxalate, and malate). The average atomic oxygen-to-carbon (O / C) ratios of phenolic aqSOA are in the range of 0.85–1.23, similar to those of low-volatility oxygenated organic aerosol (LV-OOA) observed in ambient air. The aqSOA compositions are overall similar for the same precursor, but the reactions mediated by 3C* are faster than · OH-mediated reactions and produce more oligomers and hydroxylated species at the point when 50% of the phenolic compound has reacted. Profiles determined using a thermodenuder indicate that the volatility of phenolic aqSOA is influenced by both oligomer content and O / C ratio. In addition, the aqSOA shows enhanced light absorption in the UV–visible region, suggesting that aqueous-phase reactions of phenols may contribute to formation of secondary brown carbon in the atmosphere, especially in regions influenced by biomass burning.« less

  9. Chemical characterization of SOA formed from aqueous-phase reactions of phenols with the triplet excited state of carbonyl and hydroxyl radical

    SciTech Connect (OSTI)

    Yu, Lu; Smith, Jeremy; Laskin, Alexander; Anastasio, Cort N.; Laskin, Julia; Zhang, Qi

    2014-01-01

    Phenolic compounds, which are emitted in significant amounts from biomass burning, can undergo fast reactions in atmospheric aqueous phases to form secondary organic aerosol (aqSOA). In this study, we investigate the reactions of phenol and two methoxy-phenols (syringol and guaiacol) with two major aqueous phase oxidants the triplet excited states of an aromatic carbonyl (3C*) and hydroxyl radical (OH). We thoroughly characterize the low-volatility species produced from these reactions and interpret their formation mechanisms using aerosol mass spectrometry (AMS), desorption electrospray ionization mass spectrometry (DESIMS), and ion chromatography (IC). A large number of oxygenated molecules are identified, including oligomers containing up to six monomer units, functionalized monomer and oligomers with carbonyl, carboxyl, and hydroxyl groups, and small organic acid anions (e.g., formate, acetate, oxalate, and malate). The average atomic oxygen-to-carbon (O/C) ratios of phenolic aqSOA are in the range of 0.85-1.23, similar to those of low-volatility oxygenated organic aerosol (LV-OOA) observed in ambient air. The aqSOA compositions are overall similar for the same precursor, but the reactions mediated by 3C* are faster than OH-mediated reactions and produce more oligomers and hydroxylated species at the point when 50% of the phenol had reacted. Profiles determined using a thermodenuder indicate that the volatility of phenolic aqSOA is influenced by both oligomer content and O/C ratio. In addition, the aqSOA shows enhanced light absorption in the UV-vis region, suggesting that aqueous-phase reactions of phenols are likely an important source of brown carbon in the atmosphere, especially in regions influenced by biomass burning.

  10. Group X

    SciTech Connect (OSTI)

    Fields, Susannah

    2007-08-16

    This project is currently under contract for research through the Department of Homeland Security until 2011. The group I was responsible for studying has to remain confidential so as not to affect the current project. All dates, reference links and authors, and other distinguishing characteristics of the original group have been removed from this report. All references to the name of this group or the individual splinter groups has been changed to 'Group X'. I have been collecting texts from a variety of sources intended for the use of recruiting and radicalizing members for Group X splinter groups for the purpose of researching the motivation and intent of leaders of those groups and their influence over the likelihood of group radicalization. This work included visiting many Group X websites to find information on splinter group leaders and finding their statements to new and old members. This proved difficult because the splinter groups of Group X are united in beliefs, but differ in public opinion. They are eager to tear each other down, prove their superiority, and yet remain anonymous. After a few weeks of intense searching, a list of eight recruiting texts and eight radicalizing texts from a variety of Group X leaders were compiled.

  11. Modelling On Photogeneration Of Hydroxyl Radical In Surface Waters And Its Reactivity Towards Pharmaceutical Wastes

    SciTech Connect (OSTI)

    Das, Radha; Vione, Davide; Rubertelli, Francesca; Maurino, Valter; Minero, Claudio; Barbati, Stephane; Chiron, Serge

    2010-10-26

    This paper reports a simple model to describe the formation and reactivity of hydroxyl radicals in the whole column of freshwater lakes. It is based on empirical irradiation data and is a function of the water chemical composition (the photochemically significant parameters NPOC, nitrate, nitrite, carbonate and bicarbonate), the lake conformation best expressed as the average depth, and the water absorption spectrum in a simplified Lambert-Beer approach. The purpose is to derive the lifetime of dissolved molecules, due to reaction with OH, on the basis of their second-order rate constants with the hydroxyl radical. The model was applied to two compounds of pharmaceutical wastes ibuprofen and carbamazepine, for which the second-order rate constants for reaction with the hydroxyl radical were measured by means of the competition kinetics with 2-propanol. The measured values of the rate constants are 1.0x10{sup 10} and 1.6x10{sup 10} M{sup -1} s{sup -1} for ibuprofen and carbamazepine, respectively. The model suggests that the lifetime of a given compound can be very variable in different lakes, even more than the lifetime of different compounds in the same lake. It can be concluded that as far as the reaction with OH, is concerned the concepts of photolability and photostability, traditionally attached to definite compounds, are ecosystem-dependent at least as much as they depend on the molecule under consideration.

  12. The hydroxyl-water megamaser connection. I. Water emission toward OH megamaser hosts

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

    Wiggins, Brandon K.; Migenes, Victor; Smidt, Joseph M.

    2016-02-05

    Questions surround the connection of luminous extragalactic masers to galactic processes. The observation that water and hydroxyl megamasers rarely coexist in the same galaxy has given rise to a hypothesis that the two species appear in different phases of nuclear activity. The detection of simultaneous hydroxyl and water megamaser emission toward IC694 has called this hypothesis into question, but, because many megamasers have not been surveyed for emission in the other molecule, it remains unclear whether IC694 occupies a narrow phase of galaxy evolution or whether the relationship between megamaser species and galactic processes is more complicated than previously believed. In this paper, we present results of a systematic search for 22 GHz water maser emission among OH megamaser hosts to identify additional objects hosting both megamasers. Our work roughly doubles the number of galaxies searched for emission in both molecules, which host at least one confirmed maser. We confirm with a high degree of confidence (more » $$\\gt 8\\sigma $$) the detection of water emission toward IIZw96, firmly establishing it as the second object to cohost both water and hydroxyl megamasers after IC694. We find high luminosity, narrow features in the water feature in IIZw96. All dual megamaser candidates appear in merging galaxy systems suggestive that megamasers that coexistance may signal a brief phase along the merger sequence. In conclusion, a statistical analysis of the results of our observations provide possible evidence for an exclusion of H2O kilomasers among OH megamaser hosts.« less

  13. CH-TRU Waste Content Codes

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2008-01-16

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  14. Newport News in Review, ch. 47, segment includes TEDF groundbreaking...

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

    https:www.jlab.orgnewsarticlesnewport-news-review-ch-47-segment-includes-tedf-groundbreaking-event Newport News in Review, ch. 47, segment includes TEDF groundbreaking event...

  15. Independent Oversight Review, Hanford Site CH2M Hill Plateau...

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

    CH2M Hill Plateau Remediation Company - November 2012 Independent Oversight Review, Hanford Site CH2M Hill Plateau Remediation Company - November 2012 November 2012 Review of the...

  16. Central Characterization Program (CCP) Contact-Handled (CH) TRU...

    Office of Environmental Management (EM)

    Contact-Handled (CH) TRU Waste Certification and Waste Information SystemWaste Data System (WWISWDS) Data Entry Central Characterization Program (CCP) Contact-Handled (CH) TRU...

  17. Galaxy groups

    SciTech Connect (OSTI)

    Brent Tully, R.

    2015-02-01

    Galaxy groups can be characterized by the radius of decoupling from cosmic expansion, the radius of the caustic of second turnaround, and the velocity dispersion of galaxies within this latter radius. These parameters can be a challenge to measure, especially for small groups with few members. In this study, results are gathered pertaining to particularly well-studied groups over four decades in group mass. Scaling relations anticipated from theory are demonstrated and coefficients of the relationships are specified. There is an update of the relationship between light and mass for groups, confirming that groups with mass of a few times 10{sup 12}M{sub ?} are the most lit up while groups with more and less mass are darker. It is demonstrated that there is an interesting one-to-one correlation between the number of dwarf satellites in a group and the group mass. There is the suggestion that small variations in the slope of the luminosity function in groups are caused by the degree of depletion of intermediate luminosity systems rather than variations in the number per unit mass of dwarfs. Finally, returning to the characteristic radii of groups, the ratio of first to second turnaround depends on the dark matter and dark energy content of the universe and a crude estimate can be made from the current observations of ?{sub matter}?0.15 in a flat topology, with a 68% probability of being less than 0.44.

  18. Self-rolling of an aluminosilicate sheet into a single walled imogolite nanotube: The role of the hydroxyl arrangement

    SciTech Connect (OSTI)

    González, R. I.; Rogan, J.; Valdivia, J. A.; Munoz, F.; Valencia, F.; Ramírez, M.; Kiwi, M.; Ramírez, R.

    2015-12-31

    Imogolite is an inorganic nanotube, that forms naturally in weathered volcanic ashes, and it can be synthesized in nearly monodisperse diameters. However, long after its successful synthesis, the details of the way it is achieved are not fully understood. Here we elaborate on a model of its synthesis, which starts with a planar aluminosilicate sheet that is allowed to evolve freely, by means of classical molecular dynamics, until it achieves its minimum energy configuration. The minimal structures that the system thus adopts are tubular, scrolled, and more complex conformations, depending mainly on temperature as a driving force. Here we focus on the effect that the arrangement of the hydroxyl groups in the inner wall of the nanotube have on the minimal nanotubular configurations that we obtain are monodispersed in diameter, and quite similar to both from the those of weathered natural volcanic ashes, and to the ones that are synthesized in the laboratory. In this contribution we expand on the atomic mechanisms behind those behaviors.

  19. Class I methanol (CH{sub 3}OH) maser conditions near supernova remnants

    SciTech Connect (OSTI)

    McEwen, Bridget C.; Pihlstrm, Ylva M.; Sjouwerman, Lornt O.

    2014-10-01

    We present results from calculations of the physical conditions necessary for the occurrence of 36.169 (4{sub 1}-3{sub 0} E), 44.070 (7{sub 0}-6{sub 1} A {sup +}), 84.521 (5{sub 1}-4{sub 0} E), and 95.169 (8{sub 0}-7{sub 1} A {sup +}) GHz methanol (CH{sub 3}OH) maser emission lines near supernova remnants (SNRs), using the MOLPOP-CEP program. The calculations show that given a sufficient methanol abundance, methanol maser emission arises over a wide range of densities and temperatures, with optimal conditions at n ? 10{sup 4}-10{sup 6} cm{sup 3} and T > 60 K. The 36 GHz and 44 GHz transitions display more significant maser optical depths compared to the 84 GHz and 95 GHz transitions over the majority of physical conditions. It is also shown that line ratios are an important and applicable probe of the gas conditions. The line ratio changes are largely a result of the E-type transitions becoming quenched faster at increasing densities. The modeling results are discussed using recent observations of CH{sub 3}OH and hydroxyl (OH) masers near the SNRs G1.40.1, W28, and Sgr A East.

  20. ARM - Datastreams - avhrr11ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  1. ARM - Datastreams - fullavhrr16ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  2. ARM - Datastreams - avhrr16ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  3. ARM - Datastreams - fullavhrr12ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  4. ARM - Datastreams - fullavhrr15ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  5. ARM - Datastreams - avhrr17ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  6. ARM - Datastreams - fullavhrr16ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  7. ARM - Datastreams - avhrr10ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  8. ARM - Datastreams - avhrr17ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  9. ARM - Datastreams - avhrr14ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  10. ARM - Datastreams - fullavhrr12ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  11. ARM - Datastreams - fullavhrr10ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  12. ARM - Datastreams - avhrr16ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  13. ARM - Datastreams - avhrr14ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  14. ARM - Datastreams - fullavhrr10ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  15. ARM - Datastreams - avhrr15ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  16. ARM - Datastreams - fullavhrr11ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  17. ARM - Datastreams - fullavhrr11ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  18. ARM - Datastreams - fullavhrr15ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  19. ARM - Datastreams - avhrr15ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  20. ARM - Datastreams - avhrr12ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  1. ARM - Datastreams - avhrr12ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  2. ARM - Datastreams - fullavhrr14ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  3. ARM - Datastreams - fullavhrr17ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  4. ARM - Datastreams - fullavhrr14ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  5. ARM - Datastreams - avhrr10ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  6. ARM - Datastreams - fullavhrr17ch4

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

    ch4 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  7. ARM - Datastreams - avhrr11ch2

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

    ch2 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA....

  8. Bioaccumulation of hydroxylated polychlorinated biphenyls and pentachlorophenol in the serum of northern elephant seal pups (Mirounga angustirostris)

    SciTech Connect (OSTI)

    Louis, Caroline; Stas, Marie; Malarvannan, Govindan; Dirtu, Alin C.; Debier, Cathy

    2015-01-15

    Northern elephant seals (NES) (Mirounga angustirostris) from the Año Nuevo State Reserve (CA, USA) were sampled at 1-, 4-, 7- and 10-week post-weaning. Concentrations of hydroxylated polychlorinated biphenyls (HO-PCBs) and their parent PCBs were measured in the serum of each individual. The ΣHO-PCB concentrations in the serum increased significantly between early and late fast (from 282±20 to 529±31 pg/mL). This increase might result from a mobilisation of HO-PCBs transferred from the mother during gestation and/or lactation and stored in the pup's liver. Food deprivation has been shown to exacerbate biotransformation capacities in mammals, birds and fish. The HO-penta-CBs was the predominant homologue group, followed by HO-hexa-CBs and HO-hepta-CBs. No preferential pathway for the metabolism of HO-PCBs (HO-direct insertion or NIH-shift of a chlorine atom) could be evidenced. The concentrations of pentachlorophenol (PCP) in the serum of weaned NES increased from 103±7 pg/mL at early fast to 246±41 pg/mL at late fast, which is within the range of PCP concentrations usually encountered in marine mammals. - Highlights: • Σ HO-PCB concentrations in serum significantly increased between early and late fast. • The HO-penta-CBs were the predominant homologue group measured in serum. • No preferential pathway for the metabolism of HO-PCBs could be evidenced. • PCP concentrations in serum significantly increased between early and late fast.

  9. CH2M HILL Plateau Remediation Company - Hanford Site

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

    Contracting CH2M HILL Plateau Remediation Company Contracting ORP Contracts and Procurements RL Contracts and Procurements CH2M HILL Plateau Remediation Company Mission Support Alliance Washington Closure Hanford HPM Corporation (HPMC) Wastren Advantage, Inc. Bechtel National, Inc. Washington River Protection Solutions CH2M HILL Plateau Remediation Company Email Email Page | Print Print Page | Text Increase Font Size Decrease Font Size CH2M CH2M HILL Plateau Remediation Company is the prime

  10. Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions

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

    Zheng, Haiyan; Li, Kuo; Cody, George D.; Tulk, Christopher A.; Dong, Xiao; Gao, Guoying; Molaison, Jamie J.; Liu, Zhenxian; Feygenson, Mikhail; Yang, Wenge; et al

    2016-08-25

    Acetonitrile (CH3CN) is the simplest and one of the most stable nitriles. Reactions usually occur on the C≡N triple bond, while the C-H bond is very inert and can only be activated by a very strong base or a metal catalyst. In this study, it is demonstrated that C-H bonds can be activated by the cyano group under high pressure, but at room temperature. The hydrogen atom transfers from the CH3 to CN along the CH···N hydrogen bond, which produces an amino group and initiates polymerization to form a dimer, 1D chain, and 2D nanoribbon with mixed sp2 and sp3more » bonded carbon. Lastly, it transforms into a graphitic polymer by eliminating ammonia. This study shows that applying pressure can induce a distinctive reaction which is guided by the structure of the molecular crystal. It highlights the fact that very inert C-H can be activated by high pressure, even at room temperature and without a catalyst.« less

  11. Hydrogen Reactivity on Highly-hydroxylated TiO2(110) Surfaces Prepared via Carboxylic Acid Adsorption and Photolysis

    SciTech Connect (OSTI)

    Du, Yingge; Petrik, Nikolay G.; Deskins, N. Aaron; Wang, Zhitao; Henderson, Michael A.; Kimmel, Gregory A.; Lyubinetsky, Igor

    2012-02-27

    Combined scanning tunneling microscopy, temperature-programmed desorption, photo stimulated desorption, and density functional theory studies have probed the formation and reactivity of highly-hydroxylated rutile TiO2(110) surfaces, which were prepared via a novel, photochemical route using trimethyl acetic acid (TMAA) dissociative adsorption and subsequent photolysis at 300 K. Deprotonation of TMAA molecules upon adsorption produces both surface bridging hydroxyls (OHb) and bidentate trimethyl acetate (TMA) species with a saturation coverage of near 0.5 monolayer (ML). Ultra-violet light irradiation selectively removes TMA species, producing a highly-hydroxylated surface with up to ~0.5 ML OHb coverage. At high coverages, the OHb species typically occupy second-nearest neighbor sites along the bridging oxygen row locally forming linear (21) structures of different lengths, although the surface is less ordered on a long scale. The annealing of the highly-hydroxylated surface leads to hydroxyl recombination and H2O desorption with ~100% yield, thus ruling out the diffusion of H into the bulk that has been suggested in the literature. In agreement with experimental data, theoretical results show that the recombinative H2O desorption is preferred over both H bulk diffusion and H2 desorption processes.

  12. Time-Resolved Quantitative Measurement of OH HO2 and CH2O in Fuel Oxidation Reactions by High Resolution IR Absorption Spectroscopy.

    SciTech Connect (OSTI)

    Huang, Haifeng; Rotavera, Brandon; Taatjes, Craig A.

    2014-08-01

    Combined with a Herriott-type multi-pass slow flow reactor, high-resolution differential direct absorption spectroscopy has been used to probe, in situ and quantitatively, hydroxyl (OH), hydroperoxy (HO 2 ) and formaldehyde (CH 2 O) molecules in fuel oxidation reactions in the reactor, with a time resolution of about 1 micro-second. While OH and CH 2 O are probed in the mid-infrared (MIR) region near 2870nm and 3574nm respectively, HO 2 can be probed in both regions: near-infrared (NIR) at 1509nm and MIR at 2870nm. Typical sensitivities are on the order of 10 10 - 10 11 molecule cm -3 for OH at 2870nm, 10 11 molecule cm -3 for HO 2 at 1509nm, and 10 11 molecule cm -3 for CH 2 O at 3574nm. Measurements of multiple important intermediates (OH and HO 2 ) and product (CH 2 O) facilitate to understand and further validate chemical mechanisms of fuel oxidation chemistry.

  13. Method of dehydroxylating a hydroxylated material and method of making a mesoporous film

    DOE Patents [OSTI]

    Domansky, Karel [Richland, WA; Fryxell, Glen E [Kennewick, WA; Liu, Jun [West Richland, WA; Kohler, Nathan J [Richland, WA; Baskaran, Suresh [Kennewick, WA

    2002-05-07

    The present invention is a method of dehydroxylating a silica surface that is hydroxylated having the steps of exposing the silica surface separately to a silicon organic compound and a dehydroxylating gas. Exposure to the silicon organic compound can be in liquid, gas or solution phase, and exposure to a dehydroxylating gas is typically at elevated temperatures. In one embodiment, the improvement of the dehydroxylation procedure is the repetition of the soaking and dehydroxylating gas exposure. In another embodiment, the improvement is the use of an inert gas that is substantially free of hydrogen. In yet another embodiment, the present invention is the combination of the two-step dehydroxylation method with a surfactant templating method of making a mesoporous film.

  14. Effect of antisymmetric CH stretching excitation on the dynamics of O({sup 1}D) + CH{sub 4} ? OH + CH{sub 3}

    SciTech Connect (OSTI)

    Pan, Huilin; Yang, Jiayue; Zhang, Dong; Shuai, Quan; Jiang, Bo [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China)] [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Dai, Dongxu; Wu, Guorong, E-mail: wugr@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn; Yang, Xueming, E-mail: wugr@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China) [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2014-04-21

    The effect of antisymmetric CH stretching excitation of CH{sub 4} on the dynamics and reactivity of the O({sup 1}D) + CH{sub 4} ? OH + CD{sub 3} reaction at the collision energy of 6.10 kcal/mol has been investigated using the crossed-beam and time-sliced velocity map imaging techniques. The antisymmetric CH stretching mode excited CH{sub 4} molecule was prepared by direct infrared excitation. From the measured images of the CH{sub 3} products with the infrared laser on and off, the product translational energy and angular distributions were derived for both the ground and vibrationally excited reactions. Experimental results show that the vibrational energy of the antisymmetric stretching excited CH{sub 4} reagent is channeled exclusively into the vibrational energy of the OH co-products and, hence, the OH products from the excited-state reaction are about one vibrational quantum hotter than those from the ground-state reaction, and the product angular distributions are barely affected by the vibrational excitation of the CH{sub 4} reagent. The reactivity was found to be suppressed by the antisymmetric stretching excitation of CH{sub 4} for all observed CH{sub 3} vibrational states. The degree of suppression is different for different CH{sub 3} vibrational states: the suppression is about 40%60% for the ground state and the umbrella mode excited CH{sub 3} products, while for the CH{sub 3} products with one quantum symmetric stretching mode excitation, the suppression is much less pronounced. In consequence, the vibrational state distribution of the CH{sub 3} product from the excited-state reaction is considerably different from that of the ground-state reaction.

  15. Enforcement Letter, CH2M Hill- October 4, 2004

    Broader source: Energy.gov [DOE]

    Issued to CH2M Hill related to at a Lapse in Dosimetry Accreditation at the Separations Process Research Unit

  16. Research Groups - Cyclotron Institute

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

    Research Groups Research Group Homepages: Nuclear Theory Group Dr. Sherry Yennello's Research Group Dr. Dan Melconian's Research Group Dr. Cody Folden's Group...

  17. Noncentrosymmetric rare-earth copper gallium chalcogenides RE{sub 3}CuGaCh{sub 7} (RE=La–Nd; Ch=S, Se): An unexpected combination

    SciTech Connect (OSTI)

    Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur

    2015-09-15

    The quaternary rare-earth chalcogenides RE{sub 3}CuGaS{sub 7} and RE{sub 3}CuGaSe{sub 7} (RE=La–Nd) have been prepared by reactions of the elements at 1050 °C and 900 °C, respectively. They crystallize in the noncentrosymmetric La{sub 3}CuSiS{sub 7}-type structure (hexagonal, space group P6{sub 3}, Z=2) in which the a-parameter is largely controlled by the RE component (a=10.0–10.3 Å for the sulfides and 10.3–10.6 Å for the selenides) whereas the c-parameter is essentially fixed by the choice of Ga and chalcogen atoms within tetrahedral units (c=6.1 Å for the sulfides and 6.4 Å for the selenides). They extend the series RE{sub 3}MGaCh{sub 7}, previously known for divalent metal atoms (M=Mn–Ni), differing in that the Cu atoms in RE{sub 3}CuGaCh{sub 7} occupy trigonal planar sites instead of octahedral sites. Among quaternary chalcogenides RE{sub 3}MM′Ch{sub 7}, the combination of monovalent (M=Cu) and trivalent (M′=Ga) metals is unusual because it appears to violate the condition of charge balance satisfied by most La{sub 3}CuSiS{sub 7}-type compounds. The possibility of divalent Cu atoms was ruled out by bond valence sum analysis, magnetic measurements, and X-ray photoelectron spectroscopy. The electron deficiency in RE{sub 3}CuGaCh{sub 7} is accommodated through S-based holes at the top of the valence band, as shown by band structure calculations on La{sub 3}CuGaS{sub 7}. An optical band gap of about 2.0 eV was found for La{sub 3}CuGaSe{sub 7}. - Graphical abstract: The chalcogenides RE{sub 3}CuGaCh{sub 7} contain monovalent Cu in trigonal planes and trivalent Ga in tetrahedra; they are electron-deficient representatives of La{sub 3}CuSiS{sub 7}-type compounds, which normally satisfy charge balance. - Highlights: • Quaternary chalcogenides RE{sub 3}CuGaCh{sub 7} (RE=La–Nd; Ch=S, Se) were prepared. • Bond valence sums, magnetism, and XPS data give evidence for monovalent Cu. • Crystal structures reveal high anisotropy of Cu displacement.

  18. Molecular dynamics simulations of shock waves in hydroxyl-terminated polybutadiene melts: Mechanical and structural responses

    SciTech Connect (OSTI)

    Frhlich, Markus G. E-mail: ThompsonDon@missouri.edu; Sewell, Thomas D. Thompson, Donald L. E-mail: ThompsonDon@missouri.edu

    2014-01-14

    The mechanical and structural responses of hydroxyl-terminated cis-1,4-polybutadiene melts to shock waves were investigated by means of all-atom non-reactive molecular dynamics simulations. The simulations were performed using the OPLS-AA force field but with the standard 12-6 Lennard-Jones potential replaced by the Buckingham exponential-6 potential to better represent the interactions at high compression. Monodisperse systems containing 64, 128, and 256 backbone carbon atoms were studied. Supported shock waves were generated by impacting the samples onto stationary pistons at impact velocities of 1.0, 1.5, 2.0, and 2.5 km s{sup ?1}, yielding shock pressures between approximately 2.8 GPa and 12.5 GPa. Single-molecule structural properties (squared radii of gyration, asphericity parameters, and orientational order parameters) and mechanical properties (density, shock pressure, shock temperature, and shear stress) were analyzed using a geometric binning scheme to obtain spatio-temporal resolution in the reference frame centered on the shock front. Our results indicate that while shear stress behind the shock front is relieved on a ?0.5 ps time scale, a shock-induced transition to a glass-like state occurs with a concomitant increase of structural relaxation times by several orders of magnitude.

  19. Asymmetric Intramolecular Alkylation of Chiral Aromatic Imines via Catalytic C-H Bond Activation

    SciTech Connect (OSTI)

    Watzke, Anja; Wilson, Rebecca; O'Malley, Steven; Bergman, Robert; Ellman, Jonathan

    2007-04-16

    The asymmetric intramolecular alkylation of chiral aromatic aldimines, in which differentially substituted alkenes are tethered meta to the imine, was investigated. High enantioselectivities were obtained for imines prepared from aminoindane derivatives, which function as directing groups for the rhodium-catalyzed C-H bond activation. Initial demonstration of catalytic asymmetric intramolecular alkylation also was achieved by employing a sterically hindered achiral imine substrate and catalytic amounts of a chiral amine.

  20. Ch. VII, Temperature, heat flow maps and temperature gradient...

    Open Energy Info (EERE)

    Report: Ch. VII, Temperature, heat flow maps and temperature gradient holes Author T. G. Zacharakis Editor T. G. Zacharakis Published Colorado Geological Survey in Cooperation...

  1. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-04-04

    This procedure provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP).

  2. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-04-13

    This procedure provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP).

  3. 2011 Annual Planning Summary for Chicago Operations Office (CH...

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

    2011 Annual Planning Summary for Chicago Operations Office (CH) The ongoing and projected Environmental Assessments and Environmental Impact Statements for 2011 and 2012 within ...

  4. Experimental Confirmation of CH Mandrel Removal from Be Shells...

    Office of Scientific and Technical Information (OSTI)

    Experimental Confirmation of CH Mandrel Removal from Be Shells Citation Details ... Although the plastic mandrel may not be a design issue, it is a fielding issue because at ...

  5. Ch. I, Report on Waunita Hot Springs Project, Gunnison County...

    Open Energy Info (EERE)

    Report: Ch. I, Report on Waunita Hot Springs Project, Gunnison County, Colorado Author K. W. Nickerson and Associates Editor T. G. Zacharakis Published Colorado Geological...

  6. Voluntary Protection Program Onsite Review, CH2M HILL Plateau...

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

    Programs Participants' Association (VPPPA) Presentation: Conducting your Annual VPP Self Assessment Voluntary Protection Program Onsite Review, CH2M HILL Analytical Technical...

  7. Alkyl group substitution by oxime-bound palladium(II) (the Shaw reaction): Alkly group selectivity and deuterium isotope effects

    SciTech Connect (OSTI)

    Wells, A.P.; Kitching, W.

    1992-08-01

    This report provides information regarding the selectivity of alkyl groups and the nature of the transition state for C-H palladation by oxime-bound palladium(II) (the Shaw reaction). The kinetic deuterium isotope effects are also presented. 21 refs.

  8. TEC Working Group Topic Groups Archives Consolidated Grant Topic Group |

    Office of Environmental Management (EM)

    Department of Energy Consolidated Grant Topic Group TEC Working Group Topic Groups Archives Consolidated Grant Topic Group The Consolidated Grant Topic Group arose from recommendations provided by the TEC and other external parties to the DOE Senior Executive Transportation Forum in July 1998. It was proposed that the consolidation of multiple funding streams from numerous DOE sources into a single grant would provide a more equitable and efficient means of assistance to States and Tribes

  9. Effects of Oxygen-Containing Functional Groups on Supercapacitor Performance

    SciTech Connect (OSTI)

    Kerisit, Sebastien N.; Schwenzer, Birgit; Vijayakumar, M.

    2014-07-03

    Molecular dynamics (MD) simulations of the interface between graphene and the ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate (BMIM OTf) were carried out to gain molecular-level insights into the performance of graphene-based supercapacitors and, in particular, determine the effects of the presence of oxygen-containing defects at the graphene surface on their integral capacitance. The MD simulations predict that increasing the surface coverage of hydroxyl groups negatively affects the integral capacitance, whereas the effect of the presence of epoxy groups is much less significant. The calculated variations in capacitance are found to be directly correlated to the interfacial structure. Indeed, hydrogen bonding between hydroxyl groups and SO3 anion moieties prevents BMIM+ and OTf- molecules from interacting favorably in the dense interfacial layer and restrains the orientation and mobility of OTf- ions, thereby reducing the permittivity of the ionic liquid at the interface. The results of the molecular simulations can facilitate the rational design of electrode materials for supercapacitors.

  10. Experimental verification of the method for detection of water microleakages in plasma vacuum chambers by using the hydroxyl spectrum

    SciTech Connect (OSTI)

    Antipenkov, A. B.; Afonin, O. N.; Ochkin, V. N.; Savinov, S. Yu.; Tskhai, S. N.

    2012-03-15

    Experimental determination of the sensitivity of the method for detection of water microleakages in the cooling systems of the plasma vacuum chambers of complex electrophysical devices (such as tokamaks, fuel elements of nuclear reactors, and plasmachemical reactors) is considered. It was shown that the spectroscopic method for detection of water microleakages by using the hydroxyl radiation spectrum makes it possible to detect leakages at a level of 10{sup -5} Pa m{sup 3} s{sup -1}. The spatial resolution of the method allows one to localize defects with an accuracy of several centimeters.

  11. Office of Enforcement Special Report Order, Office of River Protection, CH2M Hill Hanford Group

    Office of Environmental Management (EM)

    Electricity Delivery and Energy Reliability Smart Grid R&D Program Summary Report: 2014 DOE Resilient Electric Distribution Grid R&D Workshop June 11, 2014 Upton, New York 2014 DOE Resilient Electric Distribution Grid R&D Workshop Report Page i June 24, 2014 Acknowledgment The U.S. Department of Energy (DOE) acknowledges the support provided by the organizations represented at the Resilient Electric Distribution Grid R&D Workshop. The report content is based on the workshop

  12. Special Report Order, CH2M Hill Hanford Group, Inc. - October...

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

    nuclear safety operations associated with corrective action management, worker training and qualification, and adherence to authorization basis documentation at DOE's Hanford site. ...

  13. Hydrated goethite ([alpha]-FeOOH) (1 0 0 ) interface structure: Ordered water and surface functional groups

    SciTech Connect (OSTI)

    Ghose, Sanjit K.; Waychunas, Glenn A.; Trainor, Thomas P.; Eng, Peter J.

    2010-03-16

    Goethite({alpha}-FeOOH), an abundant and highly reactive iron oxyhydroxide mineral, has been the subject of numerous studies of environmental interface reactivity. However, such studies have been hampered by the lack of experimental constraints on aqueous interface structure, and especially of the surface water molecular arrangements. Structural information of this type is crucial because reactivity is dictated by the nature of the surface functional groups and the structure or distribution of water and electrolyte at the solid-solution interface. In this study we have investigated the goethite (1 0 0) surface using surface diffraction techniques, and have determined the relaxed surface structure, the surface functional groups, and the three dimensional nature of two distinct sorbed water layers. The crystal truncation rod (CTR) results show that the interface structure consists of a double hydroxyl, double water terminated interface with significant atom relaxations. Further, the double hydroxyl terminated surface dominates with an 89% contribution having a chiral subdomain structure on the (1 0 0) cleavage faces. The proposed interface stoichiometry is ((H{sub 2}O)-(H{sub 2}O)-OH{sub 2}-OH-Fe-O-O-Fe-R) with two types of terminal hydroxyls; a bidentate (B-type) hydroxo group and a monodentate (A-type) aquo group. Using the bond-valence approach the protonation states of the terminal hydroxyls are predicted to be OH type (bidentate hydroxyl with oxygen coupled to two Fe{sup 3+} ions) and OH{sub 2} type (monodentate hydroxyl with oxygen tied to only one Fe{sup 3+}). A double layer three dimensional ordered water structure at the interface was determined from refinement of fits to the experimental data. Application of bond-valence constraints to the terminal hydroxyls with appropriate rotation of the water dipole moments allowed a plausible dipole orientation model as predicted. The structural results are discussed in terms of protonation and H-bonding at the

  14. Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation

    SciTech Connect (OSTI)

    Colby, Denise; Bergman, Robert; Ellman, Jonathan

    2010-05-13

    Once considered the 'holy grail' of organometallic chemistry, synthetically useful reactions employing C-H bond activation have increasingly been developed and applied to natural product and drug synthesis over the past decade. The ubiquity and relative low cost of hydrocarbons makes C-H bond functionalization an attractive alternative to classical C-C bond forming reactions such as cross-coupling, which require organohalides and organometallic reagents. In addition to providing an atom economical alternative to standard cross - coupling strategies, C-H bond functionalization also reduces the production of toxic by-products, thereby contributing to the growing field of reactions with decreased environmental impact. In the area of C-C bond forming reactions that proceed via a C-H activation mechanism, rhodium catalysts stand out for their functional group tolerance and wide range of synthetic utility. Over the course of the last decade, many Rh-catalyzed methods for heteroatom-directed C-H bond functionalization have been reported and will be the focus of this review. Material appearing in the literature prior to 2001 has been reviewed previously and will only be introduced as background when necessary. The synthesis of complex molecules from relatively simple precursors has long been a goal for many organic chemists. The ability to selectively functionalize a molecule with minimal pre-activation can streamline syntheses and expand the opportunities to explore the utility of complex molecules in areas ranging from the pharmaceutical industry to materials science. Indeed, the issue of selectivity is paramount in the development of all C-H bond functionalization methods. Several groups have developed elegant approaches towards achieving selectivity in molecules that possess many sterically and electronically similar C-H bonds. Many of these approaches are discussed in detail in the accompanying articles in this special issue of Chemical Reviews. One approach that has

  15. Interagency mechanical operations group numerical systems group

    SciTech Connect (OSTI)

    1997-09-01

    This report consists of the minutes of the May 20-21, 1971 meeting of the Interagency Mechanical Operations Group (IMOG) Numerical Systems Group. This group looks at issues related to numerical control in the machining industry. Items discussed related to the use of CAD and CAM, EIA standards, data links, and numerical control.

  16. Communication: Ultraviolet photodissociation dynamics of the simplest Criegee intermediate CH{sub 2}OO

    SciTech Connect (OSTI)

    Lehman, Julia H.; Li, Hongwei; Beames, Joseph M.; Lester, Marsha I.

    2013-10-14

    The velocity and angular distributions of O {sup 1}D photofragments arising from UV excitation of the CH{sub 2}OO intermediate on the B {sup 1}A??X {sup 1}A? transition are characterized using velocity map ion imaging. The anisotropic angular distribution yields the orientation of the transition dipole moment, which reflects the ?*?? character of the electronic transition associated with the COO group. The total kinetic energy release distributions obtained at several photolysis wavelengths provide detail on the internal energy distribution of the formaldehyde cofragments and the dissociation energy of CH{sub 2}OO X {sup 1}A? to O {sup 1}D + H{sub 2}CO X {sup 1}A{sub 1}. A common termination of the total kinetic energy distributions, after accounting for the different excitation energies, gives an upper limit for the CH{sub 2}OO X {sup 1}A? dissociation energy of D{sub 0}? 54 kcal mol{sup ?1}, which is compared with theoretical predictions including high level multi-reference ab initio calculations.

  17. CH2M HILL Plateau Remediation Company | Department of Energy

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

    CH2M HILL Plateau Remediation Company CH2M HILL Plateau Remediation Company The Office of Hea1th, Safety and Security's Office of Enforcement and Oversight has evaluated the facts and circumstances of a series of radiological work deficiencies at the Plutonium Finishing Plant (PFP) and the 105 K-East Reactor Facility (105KE Reactor) by CH2M HILL Plateau Remediation Company (CHPRC). The radiological work deficiencies at PFP are documented in the April 29, 2011, Department of Energy Richland

  18. CH2M Hill Ltd | Open Energy Information

    Open Energy Info (EERE)

    in consulting, design, engineering, procurement, construction, and operations and maintenance. References: CH2M Hill Ltd1 This article is a stub. You can help OpenEI by...

  19. Voluntary Protection Program Onsite Review, CH2M HILL Analytical...

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

    Evaluation to determine whether CH2M HILL Analytical Technical Services is continuing to perform at a level deserving DOE-VPP Star recognition. The Team conducted its review during...

  20. Ed Jascevsky Safety Division ChIcago Operations Office MIT CONTFACT INFCE"ATION

    Office of Legacy Management (LM)

    ;/:4,4 (; . 1.; e octo: ' J : 18, 1976 Ed Jascevsky Safety Division ChIcago Operations Office MIT CONTFACT INFCE"ATION During the discussions on October 8, 1976, you iquired about information relative to work done by MIT as background infomation for survey planning. The enclosed information is parephrased frorc an unpublished history of program work carried out by the Process Eevclopncnt Group of the Dl.ti,si.on of Raw Katerids, I believe this work was done under contract nuder AT(30-1)956.

  1. MW and FTFIR transitions of {sup 13}CH{sub 3}OH revisited and review of MW spectra of CH{sub 3}OH and {sup 13}CH{sub 3}OH of astrophysical interest

    SciTech Connect (OSTI)

    Xu, Li-Hong; Walsh, M.S.; Lees, R.M.

    1996-12-31

    Microwave (MW), millimeter-wave (MMW) and Fourier-transform far-infrared (FTFIR) transitions in the first two torsional states (v{sub t} = 0 below the barrier and v{sub t} = 1 straddling the barrier) of the ground vibrational state of C-13 methanol have been globally treated and successfully fitted to within assigned measurement uncertainties using a program (I. Kleiner and M. Godefroid private communication) originally designed for acetaldehyde (CH{sub 3}CHO) based on the formalism of Herbst et al. The {sup 13}CH{sub 3}OH data set (v {sub t} {le} 1, J {le} 20, K{sub max} {le} 14) contains 725 MW and MMW lines, assigned a {+-}50 kHz measurement uncertainty apart from a few K-doublet lines, and 6283 FTFIR lines each assigned an uncertainty of {+-}0.0002 cm{sup -1} = {+-}6 MHz. A very satisfactory convergent fit has been achieved using 55 adjustable and 2 fixed parameters, yielding an overall weighted standard deviation of 0.962. Calculations employing the parameters from the final fit reveal possible C-13 assignments for 28 lines appearing in natural abundance in the newly-measured methanol microwave atlas from 7 to 200 GHz compiled by the group of K. Takagi at Toyama University.

  2. Testing of the method for water microleakage detection from OH hydroxyl spectral lines at the L-2M stellarator

    SciTech Connect (OSTI)

    Voronov, G. S. Berezhetskii, M. S.; Bondar', Yu. F.; Vafin, I. Yu.; Vasil'kov, D. G.; Voronova, E. V.; Grebenshchikov, S. E.; Grishina, I. A.; Larionova, N. F.; Letunov, A. A.; Logvinenko, V. P.; Meshcheryakov, A. I.; Pleshkov, E. I.; Khol'nov, Yu. V.; Fedyanin, O. I.; Tsygankov, V. A.; Shchepetov, S. V.; Kurnaev, V. A.; Vizgalov, I. V.; Urusov, V. A.; and others

    2013-04-15

    Results are presented from L-2M stellarator experiments on testing a possible method for detection of water microleakages in the cooling system of the first wall and vacuum chamber of ITER. The method consists in the spectroscopic detection of spectral lines of the OH hydroxyl, which forms via the dissociation of water molecules in plasma. Emission in the spectral band of 305-310 nm can be detected even at water leakage rates less than 10{sup -4} Pa m{sup 3}/s. Chemical reactions between water and boron compounds on the vacuum chamber wall delay the detection of leakages up to {approx}2000 s. A similar phenomenon can be expected when a leakage will occur in ITER, where the materials suggested for the first wall (Be, Li) can also chemically react with water.

  3. Rational Reprogramming of the R2 Subunit of Escherichia coli Ribonucleotide Reductase into a Self-Hydroxylating Monooxygenase

    SciTech Connect (OSTI)

    Baldwin, J.; Voegtli, W.C.; Khidekel, N.; Moënne-Loccoz, P.; Krebs, C.; Ley, B.A.; Huynh, B.H.; Loehr, T.M.; Rosenzweig, A.C.; Bollinger, Jr., J.M.

    2010-03-05

    The outcome of O{sub 2} activation at the diiron(II) cluster in the R2 subunit of Escherichia coli (class I) ribonucleotide reductase has been rationally altered from the normal tyrosyl radical (Y122) production to self-hydroxylation of a phenylalanine side-chain by two amino acid substitutions that leave intact the (histidine){sub 2}-(carboxylate){sub 4} ligand set characteristic of the diiron-carboxylate family. Iron ligand Asp (D) 84 was replaced with Glu (E), the amino acid found in the cognate position of the structurally similar diiron-carboxylate protein, methane monooxygenase hydroxylase (MMOH). We previously showed that this substitution allows accumulation of a {mu}-1,2-peroxodiiron(III) intermediate, which does not accumulate in the wild-type (wt) protein and is probably a structural homologue of intermediate P (H{sub peroxo}) in O{sub 2} activation by MMOH. In addition, the near-surface residue Trp (W) 48 was replaced with Phe (F), blocking transfer of the 'extra' electron that occurs in wt R2 during formation of the formally Fe(III)Fe(IV) cluster X. Decay of the {mu}-1,2-peroxodiiron(III) complex in R2-W48F/D84E gives an initial brown product, which contains very little Y122 and which converts very slowly (t{sub 1/2} {approx} 7 h) upon incubation at 0 C to an intensely purple final product. X-ray crystallographic analysis of the purple product indicates that F208 has undergone {epsilon}-hydroxylation and the resulting phenol has shifted significantly to become a ligand to Fe2 of the diiron cluster. Resonance Raman (RR) spectra of the purple product generated with {sup 16}O{sub 2} or {sub 18}O{sub 2} show appropriate isotopic sensitivity in bands assigned to O-phenyl and Fe-O-phenyl vibrational modes, confirming that the oxygen of the Fe(III)-phenolate species is derived from O{sub 2}. Chemical analysis, experiments involving interception of the hydroxylating intermediate with exogenous reductant, and Moessbauer and EXAFS characterization of the brown

  4. A microbial functional group-based module for simulating methane production and consumption: Application to an incubated permafrost soil

    SciTech Connect (OSTI)

    Xu, Xiaofeng; Elias, Dwayne A.; Graham, David E.; Phelps, Tommy J.; Carroll, Sue L.; Wullschleger, Stan D.; Thornton, Peter E.

    2015-07-23

    In this study, accurately estimating methane (CH4) flux is critically important for investigating and predicting the biogeochemistry-climate feedback. Better simulating CH4 flux requires explicit representations of microbial processes on CH4 dynamics because all processes for CH4 production and consumption are actually carried out by microbes. A microbial functional group based module was developed and tested against an incubation experiment. The module considers four key mechanisms for CH4 production and consumption: methanogenesis from acetate or single-carbon compounds and CH4 oxidation using molecular oxygen or other inorganic electron acceptors. These four processes were carried out by four microbial functional groups: acetoclastic methanogens, hydrogenotrophic methanogens, aerobic methanotrophs, and anaerobic methanotrophs. This module was then linked with the decomposition subroutine of the Community Land Model, and was further used to simulate dynamics of carbon dioxide (CO2) and CH4 concentrations from an incubation experiment with permafrost soils. The results show that the model could capture the dynamics of CO2 and CH4 concentrations in microcosms with top soils, mineral layer soils and permafrost soils under natural and saturated moisture conditions and a temperature gradient of -2C, 3C, and 5C. Sensitivity analysis confirmed the importance of acetic acid's direct contribution as substrate and indirect effects through pH feedback on CO2 and CH4 production and consumption. This study suggests that representing the microbial mechanisms is critical for modeling CH4 production and consumption; it is urgent to incorporate microbial mechanisms into Earth system models for better predicting the behavior of the climate system.

  5. A microbial functional group-based module for simulating methane production and consumption: Application to an incubated permafrost soil

    SciTech Connect (OSTI)

    Xu, Xiaofeng; Elias, Dwayne A.; Graham, David E.; Phelps, Tommy J.; Carroll, Sue L.; Wullschleger, Stan D.; Thornton, Peter E.

    2015-07-23

    In this study, accurately estimating methane (CH4) flux is critically important for investigating and predicting the biogeochemistry-climate feedback. Better simulating CH4 flux requires explicit representations of microbial processes on CH4 dynamics because all processes for CH4 production and consumption are actually carried out by microbes. A microbial functional group based module was developed and tested against an incubation experiment. The module considers four key mechanisms for CH4 production and consumption: methanogenesis from acetate or single-carbon compounds and CH4 oxidation using molecular oxygen or other inorganic electron acceptors. These four processes were carried out by four microbial functional groups: acetoclastic methanogens, hydrogenotrophic methanogens, aerobic methanotrophs, and anaerobic methanotrophs. This module was then linked with the decomposition subroutine of the Community Land Model, and was further used to simulate dynamics of carbon dioxide (CO2) and CH4 concentrations from an incubation experiment with permafrost soils. The results show that the model could capture the dynamics of CO2 and CH4 concentrations in microcosms with top soils, mineral layer soils and permafrost soils under natural and saturated moisture conditions and a temperature gradient of -2°C, 3°C, and 5°C. Sensitivity analysis confirmed the importance of acetic acid's direct contribution as substrate and indirect effects through pH feedback on CO2 and CH4 production and consumption. This study suggests that representing the microbial mechanisms is critical for modeling CH4 production and consumption; it is urgent to incorporate microbial mechanisms into Earth system models for better predicting the behavior of the climate system.

  6. A microbial functional group-based module for simulating methane production and consumption: Application to an incubated permafrost soil

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

    Xu, Xiaofeng; Elias, Dwayne A.; Graham, David E.; Phelps, Tommy J.; Carroll, Sue L.; Wullschleger, Stan D.; Thornton, Peter E.

    2015-07-23

    In this study, accurately estimating methane (CH4) flux is critically important for investigating and predicting the biogeochemistry-climate feedback. Better simulating CH4 flux requires explicit representations of microbial processes on CH4 dynamics because all processes for CH4 production and consumption are actually carried out by microbes. A microbial functional group based module was developed and tested against an incubation experiment. The module considers four key mechanisms for CH4 production and consumption: methanogenesis from acetate or single-carbon compounds and CH4 oxidation using molecular oxygen or other inorganic electron acceptors. These four processes were carried out by four microbial functional groups: acetoclastic methanogens,more » hydrogenotrophic methanogens, aerobic methanotrophs, and anaerobic methanotrophs. This module was then linked with the decomposition subroutine of the Community Land Model, and was further used to simulate dynamics of carbon dioxide (CO2) and CH4 concentrations from an incubation experiment with permafrost soils. The results show that the model could capture the dynamics of CO2 and CH4 concentrations in microcosms with top soils, mineral layer soils and permafrost soils under natural and saturated moisture conditions and a temperature gradient of -2°C, 3°C, and 5°C. Sensitivity analysis confirmed the importance of acetic acid's direct contribution as substrate and indirect effects through pH feedback on CO2 and CH4 production and consumption. This study suggests that representing the microbial mechanisms is critical for modeling CH4 production and consumption; it is urgent to incorporate microbial mechanisms into Earth system models for better predicting the behavior of the climate system.« less

  7. Hydroxylated polychlorinated biphenyls increase reactive oxygen species formation and induce cell death in cultured cerebellar granule cells

    SciTech Connect (OSTI)

    Dreiem, Anne Rykken, Sidsel; Lehmler, Hans-Joachim; Robertson, Larry W.; Fonnum, Frode

    2009-10-15

    Polychlorinated biphenyls (PCBs) are persistent organic pollutants that bioaccumulate in the body, however, they can be metabolized to more water-soluble products. Although they are more readily excreted than the parent compounds, some of the metabolites are still hydrophobic and may be more available to target tissues, such as the brain. They can also cross the placenta and reach a developing foetus. Much less is known about the toxicity of PCB metabolites than about the parent compounds. In the present study, we have investigated the effects of eight hydroxylated (OH) PCB congeners (2'-OH PCB 3, 4-OH PCB 14, 4-OH PCB 34, 4'-OH PCB 35, 4-OH PCB 36, 4'-OH PCB 36, 4-OH PCB 39, and 4'-OH PCB 68) on reactive oxygen species (ROS) formation and cell viability in rat cerebellar granule cells. We found that, similar to their parent compounds, OH-PCBs are potent ROS inducers with potency 4-OH PCB 14 < 4-OH PCB 36 < 4-OH PCB 34 < 4'-OH PCB 36 < 4'-OH PCB 68 < 4-OH PCB 39 < 4'-OH PCB 35. 4-OH PCB 36 was the most potent cell death inducer, and caused apoptotic or necrotic morphology depending on concentration. Inhibition of ERK1/2 kinase with U0126 reduced both cell death and ROS formation, suggesting that ERK1/2 activation is involved in OH-PCB toxicity. The results indicate that the hydroxylation of PCBs may not constitute a detoxification reaction. Since OH-PCBs like their parent compounds are retained in the body and may be more widely distributed to sensitive tissues, it is important that not only the levels of the parent compounds but also the levels of their metabolites are taken into account during risk assessment of PCBs and related compounds.

  8. Translational and internal energy distributions of methyl and hydroxyl radicals produced by 157 nm photodissociation of amorphous solid methanol

    SciTech Connect (OSTI)

    Hama, Tetsuya; Yokoyama, Masaaki; Yabushita, Akihiro; Kawasaki, Masahiro; Wickramasinghe, Piyumie; Guo Wei; Loock, Hans-Peter; Ashfold, Michael N. R.; Western, Colin M.

    2009-12-14

    Methanol is typically observed within water-rich interstellar ices and is a source of interstellar organic species. Following the 157 nm photoexcitation of solid methanol at 90 K, desorbed CH{sub 3}(v=0) and OH(v=0,1) radicals have been observed in situ, near the solid surface, using resonance-enhanced multiphoton ionization (REMPI) detection methods. Time-of-flight and rotationally resolved REMPI spectra of the desorbed species were measured, and the respective fragment internal energy and kinetic energy distributions were obtained. Photoproduction mechanisms for CH{sub 3} and OH radicals from solid methanol are discussed. The formation of O({sup 1}D and {sup 3}P) atoms and H{sub 2}O was investigated, but the yield of these species was found to be negligible. CH{sub 3} products arising following the photoexcitation of water-methanol mixed ice showed similar kinetic and internal energy distributions to those from neat methanol ice.

  9. JLF User Group

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

    jlf user group JLF User Group 2015 NIF and JLF User Group Meeting Links: Send request to join the JLF User Group Join the NIF User Group Dr. Carolyn Kuranz - JLF User Group Dr. Carolyn Kuranz received her Ph.D. in Applied Physics from the University of Michigan in 2009. She is currently an Assistant Research Scientist at the Center for Laser Experimental Astrophysical Research and the Center for Radiative Shock Hydrodynamics at the University of Michigan. Her research involves hydrodynamic

  10. Rare-earth transition-metal gallium chalcogenides RE{sub 3}MGaCh{sub 7} (M=Fe, Co, Ni; Ch=S, Se)

    SciTech Connect (OSTI)

    Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur

    2014-02-15

    Six series of quaternary rare-earth transition-metal chalcogenides RE{sub 3}MGaCh{sub 7} (M=Fe, Co, Ni; Ch=S, Se), comprising 33 compounds in total, have been prepared by reactions of the elements at 1050 °C (for the sulphides) or 900 °C (for the selenides). They adopt noncentrosymmetric hexagonal structures (ordered Ce{sub 3}Al{sub 1.67}S{sub 7}-type, space group P6{sub 3}, Z=2) with cell parameters in the ranges of a=9.5–10.2 Å and c=6.0–6.1 Å for the sulphides and a=10.0–10.5 Å and c=6.3–6.4 Å for the selenides as refined from powder X-ray diffraction data. Single-crystal structures were determined for five members of the sulphide series RE{sub 3}FeGaS{sub 7} (RE=La, Pr, Tb) and RE{sub 3}CoGaS{sub 7} (RE=La, Tb). The highly anisotropic crystal structures consist of one-dimensional chains of M-centred face-sharing octahedra and stacks of Ga-centred tetrahedra all pointing in the same direction. Magnetic measurements on the sulphides reveal paramagnetic behaviour in some cases and long-range antiferromagnetic behaviour with low Néel temperatures (15 K or lower) in others. Ga L-edge XANES spectra support the presence of highly cationic Ga tetrahedral centres with a tendency towards more covalent Ga–Ch character on proceeding from the sulphides to the selenides. Band structure calculations on La{sub 3}FeGaS{sub 7} indicate that the electronic structure is dominated by Fe 3d-based states near the Fermi level. - Graphical abstract: The series of chalcogenides RE{sub 3}MGaS{sub 7}, which form for a wide range of rare-earth and transition metals (M=Fe, Co, Ni), adopt highly anisotropic structures containing chains of M-centred octahedra and stacks of Ga-centred tetrahedra. Display Omitted - Highlights: • Six series (comprising 33 compounds) of chalcogenides RE{sub 3}MGaCh{sub 7} were prepared. • They adopt noncentrosymmetric hexagonal structures with high anisotropy. • Most compounds are paramagnetic; some show antiferromagnetic ordering. • Ga L

  11. TEC Working Group Topic Groups Manual Review

    Broader source: Energy.gov [DOE]

    This group is responsible for the update of DOE Manual 460.2-1, Radioactive Material Transportation Practices Manual.  This manual was issued on September 23, 2002, and establishes a set of...

  12. TEC Working Group Topic Groups Routing

    Broader source: Energy.gov [DOE]

    The Routing Topic Group has been established to examine topics of interest and relevance concerning routing of shipments of spent nuclear fuel (SNF) and high-level radioactive waste (HLW) to a...

  13. JLab Users Group

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

    JLab Users Group Please upgrade your browser. This site's design is only visible in a graphical browser that supports web standards, but its content is accessible to any browser. Concerns? JLab Users Group User Liaison Home Users Group Program Advisory Committee User/Researcher Information print version UG Resources Background & Purpose Users Group Wiki By Laws Board of Directors Board of Directors Minutes Directory of Members Events At-A-Glance Member Institutions News Users Group Mailing

  14. Moltech Power Systems Group MPS Group | Open Energy Information

    Open Energy Info (EERE)

    Moltech Power Systems Group MPS Group Jump to: navigation, search Name: Moltech Power Systems Group (MPS Group) Place: China Product: China-based subsidiary of Shanghai Huayi Group...

  15. Hanergy Holdings Group Company Ltd formerly Farsighted Group...

    Open Energy Info (EERE)

    Hanergy Holdings Group Company Ltd formerly Farsighted Group aka Huarui Group Jump to: navigation, search Name: Hanergy Holdings Group Company Ltd (formerly Farsighted Group, aka...

  16. MiniBooNE Pion Group

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

    Pion Group

  17. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-05-06

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  18. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-08-28

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  19. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2003-03-21

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  20. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2002-10-17

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  1. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2002-12-18

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  2. Contract No. DE-AC02-07CH11358

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

    Contract No. DE-AC02-07CH11358 Modification No. 0171 Section B i PART I SECTION B SUPPLIES OR SERVICES AND PRICES/COSTS TABLE OF CONTENTS PAGE NO. B.1 - SERVICE BEING ACQUIRED B-1 B.2 - OBLIGATION OF FUNDS AND FINANCIAL LIMITATIONS B-1 B.3 - PERFORMANCE AND OTHER INCENTIVE FEES B-1 B.4 - ALLOWABILITY OF SUBCONTRACTOR FEE B-3 B.5 - PROVISIONAL PAYMENT OF PERFORMANCE FEE B-3 Contract No. DE-AC02-07CH11358 Modification No. 0171 Section B B-1 PART I SECTION B - SUPPLIES OR SERVICES AND PRICES/COSTS

  3. Running Jobs by Group

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

    Running Jobs by Group Running Jobs by Group Daily Graph: Weekly Graph: Monthly Graph: Yearly Graph: 2 Year Graph: Last edited: 2016-04-29 11:34:43

  4. Running Jobs by Group

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

    Running Jobs by Group Running Jobs by Group Daily Graph: Weekly Graph: Monthly Graph: Yearly Graph: 2 Year Graph: Last edited: 2011-04-05 13:59:48...

  5. Pending Jobs by Group

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

    Pending Jobs by Group Pending Jobs by Group Daily Graph: Weekly Graph: Monthly Graph: Yearly Graph: 2 Year Graph: Last edited: 2011-04-05 14:00:14...

  6. UFD Working Group 2015

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

    Working Group 2015 - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us ... Twitter Google + Vimeo GovDelivery SlideShare UFD Working Group 2015 HomeStationary ...

  7. Pending Jobs by Group

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

    Pending Jobs by Group Pending Jobs by Group Daily Graph: Weekly Graph: Monthly Graph: Yearly Graph: 2 Year Graph: Last edited: 2016-04-29 11:35:04

  8. HASQARD Focus Group

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

    17, 2012 The meeting was called to order by Huei Meznarich, HASQARD Focus Group Chair at 2:05 PM on July 17, 2012 in Conference Room 308 at 2420 Stevens. Those attending were: Huei Meznarich (Focus Group Chair), Cliff Watkins (Focus Group Secretary), Glen Clark, Robert Elkins, Scot Fitzgerald, Larry Markel, Cindy Taylor, Sam Vega, Rich Weiss and Eric Wyse. I. Huei Meznarich requested comments on the minutes from the June 12, 2012 meeting. No HASQARD Focus Group members present stated any

  9. HASQARD Focus Group

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

    8, 2013 The meeting was called to order by Huei Meznarich, HASQARD Focus Group Chair at 2:05 PM on June 18, 2013 in Conference Room 308 at 2420 Stevens. Those attending were: Huei Meznarich (Focus Group Chair), Cliff Watkins (Focus Group Secretary), Glen Clark, Scot Fitzgerald, Joan Kessner, Larry Markel, Karl Pool, Chris Sutton, Amanda Tuttle, Rich Weiss and Eric Wyse. I. Huei Meznarich requested comments on the minutes from the May 21, 2013 meeting. No HASQARD Focus Group members present

  10. NIF User Group

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

    group NIF User Group The National Ignition Facility User Group provides an organized framework and independent vehicle for interaction between the scientists who use NIF for "Science Use of NIF" experiments and NIF management. Responsibility for NIF and the research programs carried out at NIF resides with the NIF Director. The NIF User Group advises the NIF Director on matters of concern to users, as well as providing a channel for communication for NIF users with funding agencies and

  11. TEC Communications Topic Group

    Office of Environmental Management (EM)

    procurement - Routing criteriaemergency preparedness Tribal Issues Topic Group * TEPP Navajo Nation (Tom Clawson) - 1404 - Needs Assessment * Identified strengths and...

  12. Interagency Sustainability Working Group

    Broader source: Energy.gov [DOE]

    The Interagency Sustainability Working Group (ISWG) is the coordinating body for sustainable buildings in the federal government.

  13. Tritium Focus Group- INEL

    Broader source: Energy.gov [DOE]

    Presentation from the 34th Tritium Focus Group Meeting held in Idaho Falls, Idaho on September 23-25, 2014.

  14. SSRL ETS Group

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

    STANFORD SYNCHROTRON RADIATION LABORATORY Stanford Linear Accelerator Center Engineering & Technical Services Groups: Mechanical Services Group Mechanical Services Group Sharepoint ASD: Schedule Priorites Accelerator tech support - Call List Documentation: Engineering Notes, Drawings, and Accelerator Safety Documents Mechanical Systems: Accelerator Drawings Accelerator Pictures Accelerator Vacuum Systems (SSRL) LCW Vacuum Projects: Last Updated: February 8, 2007 Ben Scott

  15. Oxidation of alpha-tocopherol in micelles and liposomes by the hydroxyl, perhydroxyl, and superoxide free radicals

    SciTech Connect (OSTI)

    Fukuzawa, K.; Gebicki, J.M.

    1983-10-01

    Rates of oxidation of alpha-tocopherol by the hydroxyl- and superoxide free radicals were measured. The radicals were produced in known yields by radiolysis of aqueous solutions with gamma rays. Two main systems were used to dissolve the tocopherol; micelles, made up from charged and uncharged amphiphiles, and membranes made from dimyristyl phosphatidylcholine which could be charged by addition of stearyl amine or dicetyl phosphate. The HO. radicals were efficient oxidants of alpha-tocopherol in all systems, with up to 83% of radicals generated in micelle and 32% in membrane suspensions initiating the oxidation. The HO/sub 2/ radical was an even more effective oxidant, but when most of it was in the O/sub 2/ form at neutral or alkaline pH, the oxidation rates became low. Tocopherol held in positively charged micelles or membranes was oxidized at a higher rate by the O/sub 2/ than in uncharged or negative particles. Possible biological significance of these results is discussed.

  16. Large Group Visits

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

    Large Group Visits Large Group Visits All tours of the Museum are self-guided, but please schedule in advance so we can best accommodate your group. Contact Us thumbnail of 1350 Central Avenue (505) 667-4444 Email Let us know if you plan to bring a group of 10 or more. All tours of the Museum are self-guided, but please schedule in advance so we can best accommodate your group. Parking for buses and RVs is available on Iris Street behind the Museum off of 15th St. See attached map (pdf). Contact

  17. Grouped exposed metal heaters

    DOE Patents [OSTI]

    Vinegar, Harold J.; Coit, William George; Griffin, Peter Terry; Hamilton, Paul Taylor; Hsu, Chia-Fu; Mason, Stanley Leroy; Samuel, Allan James; Watkins, Ronnie Wade

    2012-07-31

    A system for treating a hydrocarbon containing formation is described. The system includes two or more groups of elongated heaters. The group includes two or more heaters placed in two or more openings in the formation. The heaters in the group are electrically coupled below the surface of the formation. The openings include at least partially uncased wellbores in a hydrocarbon layer of the formation. The groups are electrically configured such that current flow through the formation between at least two groups is inhibited. The heaters are configured to provide heat to the formation.

  18. Grouped exposed metal heaters

    DOE Patents [OSTI]

    Vinegar, Harold J.; Coit, William George; Griffin, Peter Terry; Hamilton, Paul Taylor; Hsu, Chia-Fu; Mason, Stanley Leroy; Samuel, Allan James; Watkins, Ronnie Wade

    2010-11-09

    A system for treating a hydrocarbon containing formation is described. The system includes two or more groups of elongated heaters. The group includes two or more heaters placed in two or more openings in the formation. The heaters in the group are electrically coupled below the surface of the formation. The openings include at least partially uncased wellbores in a hydrocarbon layer of the formation. The groups are electrically configured such that current flow through the formation between at least two groups is inhibited. The heaters are configured to provide heat to the formation.

  19. Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics

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

    Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; Singh, David J.; Svane, Axel; Christensen, Niels Egede; Mahanti, Subhendra D.

    2015-07-15

    Here, we report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAgChF (Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm–1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.

  20. Process for alkane group dehydrogenation with organometallic catalyst

    DOE Patents [OSTI]

    Kaska, W.C.; Jensen, C.M.

    1998-07-14

    An improved process is described for the catalytic dehydrogenation of organic molecules having a ##STR1## group to produce a ##STR2## group. The organic molecules are: ##STR3## wherein: A.sup.1, A.sup.2, A.sup.3, and A.sup.4 are each independently P, As or N: E.sup.2 is independently C or N; E.sup.3 is independently C, Si or Ge; E.sup.4 is independently C, Si, or Ge; and E.sup.5 is independently C, Si or Ge; M.sup.1, M.sup.2, M.sup.3, and M.sup.4 each is a metal atom independently selected from the group consisting of ruthenium, rhodium, palladium, osmium, iridium and platinum; Q.sup.1, Q.sup.2, Q.sup.3, and Q.sup.4 are each independently a direct bond, --CH.sub.2 --, --CH.sub.2 CH.sub.2 --, or CH.dbd.CH--; in structure I, structure II or structure IV, R.sup.1, R.sup.2, R.sup.3, and R.sup.4 are each independently selected from alkyl, alkenyl, cycloalkyl, and aryl, or R.sup.1 and R.sup.2 together and R.sup.3 and R.sup.4 together form a ring structure having from 4 to 10 carbon atoms, or in structure III, R.sup.5, R.sup.6, R.sup.7, and R.sup.8 are each independently selected from alkyl, alkenyl, cycloalkyl, and aryl, or R.sup.5 and R.sup.6 together and R.sup.7 and R.sup.8 together form a ring structure having from 4 to 10 carbon atoms, at a temperature of between about 100.degree. and 250.degree. C. for between about 1 hr and 300 days in the absence of N.sub.2. The surprisingly stable catalyst is a complex of an organic ligand comprising H, C, Si, N, P atoms, and a platinum group metal. The dehydrogenation is performed between about 100 to 200.degree. C., and has increased turnover.

  1. Process for alkane group dehydrogenation with organometallic catalyst

    DOE Patents [OSTI]

    Kaska, William C.; Jensen, Craig M.

    1998-01-01

    An improved process is described for the catalytic dehydrogenation of organic molecules having a ##STR1## group to produce a ##STR2## group. The organic molecules are: ##STR3## wherein: A.sup.1, A.sup.2, A.sup.3, and A.sup.4 are each independently P, As or N: E.sup.2 is independently C or N; E.sup.3 is independently C, Si or Ge; E.sup.4 is independently C, Si, or Ge; and E.sup.5 is independently C, Si or Ge; M.sup.1, M.sup.2, M.sup.3, and M.sup.4 each is a metal atom independently selected from the group consisting of ruthenium, rhodium, palladium, osmium, iridium and platinum; Q.sup.1, Q.sup.2, Q.sup.3, and Q.sup.4 are each independently a direct bond, --CH.sub.2 --, --CH.sub.2 CH.sub.2 --, or CH.dbd.CH--; in structure I, structure II or structure IV, R.sup.1, R.sup.2, R.sup.3, and R.sup.4 are each independently selected from alkyl, alkenyl, cycloalkyl, and aryl, or R.sup.1 and R.sup.2 together and R.sup.3 and R.sup.4 together form a ring structure having from 4 to 10 carbon atoms, or in structure III, R.sup.5, R.sup.6, R.sup.7, and R.sup.8 are each independently selected from alkyl, alkenyl, cycloalkyl, and aryl, or R.sup.5 and R.sup.6 together and R.sup.7 and R.sup.8 together form a ring structure having from 4 to 10 carbon atoms, at a temperature of between about 100.degree. and 250.degree. C. for between about 1 hr and 300 days in the absence of N.sub.2. The surprisingly stable catalyst is a complex of an organic ligand comprising H, C, Si, N, P atoms, and a platinum group metal. The dehydrogenation is performed between about 100 to 200.degree. C., and has increased turnover.

  2. DOE Selects CH2M Hill Plateau Remediation Company for Plateau...

    Office of Environmental Management (EM)

    CH2M Hill Plateau Remediation Company for Plateau Remediation Contract at its Hanford Site DOE Selects CH2M Hill Plateau Remediation Company for Plateau Remediation Contract at its ...

  3. Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination...

    Office of Environmental Management (EM)

    DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September 2015 Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September ...

  4. Selectivity of Chemisorbed Oxygen in C-H Bond Activation and...

    Office of Scientific and Technical Information (OSTI)

    Selectivity of Chemisorbed Oxygen in C-H Bond Activation and CO Oxidation and Kinetic ... Title: Selectivity of Chemisorbed Oxygen in C-H Bond Activation and CO Oxidation and ...

  5. Cooperative, Multicentered CH/ Interaction-Controlled Supramolecular Self-Assembly Processes

    SciTech Connect (OSTI)

    Li, Qing; Han, Chengbo; Horton, Scott R; Fuentes-Cabrera, Miguel A; Sumpter, Bobby G; Lu, Wenchang; Bernholc, J.; Maksymovych, Petro; Pan, Minghu

    2012-01-01

    Supramolecular self-assembly on well-defined surfaces provides access to a multitude of nanoscale architectures, including clusters of distinct symmetry and size. The driving forces underlying supramolecular structures generally involve both graphoepitaxy and weak directional nonconvalent interactions. Here we show that functionalizing a benzene molecule with an ethyne group introduces attractive interactions in a 2D geometry, which would otherwise be dominated by intermolecular repulsion. Furthermore, the attractive interactions enable supramolecular self-assembly, wherein a subtle balance between very weak CH/{pi} bonding and molecule-surface interactions produces a well-defined 'magic' dimension and chirality of supramolecular clusters. The nature of the process is corroborated by extensive scanning tunneling microscopy/spectroscopy (STM/S) measurements and ab initio calculations, which emphasize the cooperative, multicenter characters of the CH/{pi} interaction. This work points out new possibilities for chemical functionalization of {pi}-conjugated hydrocarbon molecules that may allow for the rational design of supramolecular clusters with a desired shape and size.

  6. Synthesis and crystal structure of (NH{sub 4}){sub 3}[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2}[UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)

    SciTech Connect (OSTI)

    Serezhkina, L. B.; Peresypkina, E. V.; Virovets, A. V.; Karasev, M. O.

    2010-01-15

    Single crystals of the compound (NH{sub 4}){sub 3}[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2}[UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)] (I) are synthesized, and their structure is investigated using X-ray diffraction. Compound I crystallizes in the monoclinic system with the unit cell parameters a = 18.3414(6) A, b = 16.3858(7) A, c = 12.4183(5) A, {beta} = 92.992(1){sup o}, space group C2/c, Z = 4, V = 3727.1(3) A{sup 3}, and R = 0.0253. The uranium-containing structural units of crystals I are mononuclear complexes of two types with an island structure, i.e., the [UO{sub 2}(CH{sub 3}COO){sub 3}]{sup -} anionic complexes belonging to the crystal-chemical group (AB{sub 3}{sup 01} = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}) of the uranyl complexes and the [UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)]{sup -} anionic complexes belonging to the crystal-chemical group AB{sup 01}M{sub 3}{sup 1} (A = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}, M{sup 1} = NCS{sup -} or H{sub 2}O).

  7. TEC Working Group Topic Groups Rail Key Documents Intermodal Subgroup |

    Office of Environmental Management (EM)

    Department of Energy Intermodal Subgroup TEC Working Group Topic Groups Rail Key Documents Intermodal Subgroup Intermodal Subgroup Draft Work Plan (206.83 KB) More Documents & Publications TEC Working Group Topic Groups Rail Key Documents Radiation Monitoring Subgroup TEC Working Group Topic Groups Rail Conference Call Summaries Intermodal Subgroup TEC Working Group Topic Groups Rail Conference Call Summaries Rail Topic Group

  8. Synthetic route to meso-tetra hydrocarbyl or substituted hydrocarbyl porphyrins and derivatives

    DOE Patents [OSTI]

    Wijesekera, Tilak P.; Wagner, Richard W.

    1993-01-01

    The hydroxyl group in a pyrrolic compound having in the 2-position thereof a group having the formula R(OH)CH--R is hydrocarbyl or substituted hydrocarbyl, is replaced by a group, for example a p-nitrobenzoate group, having better leaving properties than those of hydroxyl for a subsequent self-condensation and cyclization of the pyrrolic compound to form a meso-hydrocarbyl or meso-substituted hydrocarbyl porphyrin.

  9. Synthetic route to meso-tetra hydrocarbyl or substituted hydrocarbyl porphyrins and derivatives

    DOE Patents [OSTI]

    Wijesekera, T.P.; Wagner, R.W.

    1993-08-31

    The hydroxyl group in a pyrrolic compound having in the 2-position thereof a group having the formula R(OH)CH-R is hydrocarbyl or substituted hydrocarbyl, is replaced by a group, for example a p-nitrobenzoate group, having better leaving properties than those of hydroxyl for a subsequent self-condensation and cyclization of the pyrrolic compound to form a meso-hydrocarbyl or meso-substituted hydrocarbyl porphyrin.

  10. Independent Activity Report, CH2M Hill Plateau Remediation Company- January 2011

    Broader source: Energy.gov [DOE]

    Review of the CH2M Hill Plateau Remediation Company Unreviewed Safety Question Procedure [ARPT-RL-2011-003

  11. HASQARD Focus Group

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

    January 15, 2013 The meeting was called to order by Huei Meznarich, HASQARD Focus Group Chair at 2:02 PM on January 15, 2013 in Conference Room 308 at 2420 Stevens. Those attending were: Huei Meznarich (Focus Group Chair), Cliff Watkins (Focus Group Secretary), Glen Clark, Scot Fitzgerald, Larry Markel, Karl Pool, Dave St. John, Chris Sutton, Chris Thompson, Steve Trent, Amanda Tuttle and Eric Wyse. I. Huei Meznarich requested comments on the minutes from the December 18, 2012 meeting. One issue

  12. HASQARD Focus Group

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

    7, 2013 The meeting was called to order by Huei Meznarich, HASQARD Focus Group Chair at 2:09 PM on December 17, 2013 in Conference Room 308 at 2420 Stevens. Those attending were: Huei Meznarich (Focus Group Chair), Cliff Watkins (Focus Group Secretary), Taffy Almeida, Joe Archuleta, Jeff Cheadle, Glen Clark, Robert Elkins, Scot Fitzgerald, Joan Kessner, Karl Pool, Chris Sutton, Amanda Tuttle, Rich Weiss and Eric Wyse. I. Huei Meznarich asked if there were any comments on the minutes from the

  13. HASQARD Focus Group

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

    22, 2015 The meeting was called to order by Cliff Watkins, HASQARD Focus Group Secretary at 2:05 PM on October 22, 2015 in Conference Room 328 at 2420 Stevens. Those attending were: Jonathan Sanwald (Mission Support Alliance (MSA), Focus Group Chair), Cliff Watkins (Corporate Allocation Services, DOE-RL Support Contractor, Focus Group Secretary), Glen Clark (Washington River Protection Solution (WRPS)), Fred Dunhour (DOE-ORP), Joan Kessner (Washington Closure Hanford (WCH)), Karl Pool (Pacific

  14. HASQARD Focus Group

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

    6, 2016 The meeting was called to order by Jonathan Sanwald, HASQARD Focus Group Chair at 2:05 PM on January 26, 2016 in Conference Room 308 at 2420 Stevens. Those attending were: Jonathan Sanwald (Mission Support Alliance (MSA), Focus Group Chair), Cliff Watkins (Corporate Allocation Services, DOE-RL Support Contractor, Focus Group Secretary), Taffy Almeida (Pacific Northwest National Laboratory (PNNL)), Jeff Cheadle (DOE-ORP), Glen Clark (Washington River Protection Solution (WRPS)), Fred

  15. TEC Communications Topic Group

    Office of Environmental Management (EM)

    Tribal Issues Topic Group Judith Holm, Chair April 21, 2004 Albuquerque, NM Tribal Issues Topic Group * February Tribal Summit with Secretary of Energy (Kristen Ellis, CI) - Held in conjunction with NCAI mid-year conference - First Summit held in response to DOE Indian Policy - Addressed barriers to communication and developing framework for interaction Tribal Issues Topic Group * Summit (continued) - Federal Register Notice published in March soliciting input on how to improve summit process

  16. Tritium Focus Group Meeting

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

    Meeting Information Tritium Focus Group Charter (pdf) Hotel Information Classified Session Information Los Alamos Restaurants (pdf) LANL Information Visiting Los Alamos Area Map ...

  17. ALS Communications Group

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

    ALS Communications Group Print From left: Ashley White, Lori Tamura, Keri Troutman, and Carina Braun. The ALS Communications staff maintain the ALS Web site; write and edit all...

  18. HASQARD Focus Group

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

    6, 2012 The meeting was called to order by Huei Meznarich, HASQARD Focus Group Chair at 2:04 PM on October 16, 2012 in Conference Room 308 at 2420 Stevens. Those attending were: Huei Meznarich (Focus Group Chair), Cliff Watkins (Focus Group Secretary), Jeff Cheadle, Glen Clark, Robert Elkins, Larry Markel, Mary McCormick-Barger, Karl Pool, Noe'l Smith-Jackson, Chris Sutton, Steve Trent, Amanda Tuttle, Sam Vega, Rich Weiss and Eric Wyse. New personnel have joined the Focus Group since the last

  19. HASQARD Focus Group

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

    27, 2012 The meeting was called to order by Huei Meznarich, HASQARD Focus Group Chair at 2:09 PM on November 27, 2012 in Conference Room 308 at 2420 Stevens. Those attending were: Huei Meznarich (Focus Group Chair), Cliff Watkins (Focus Group Secretary), Glen Clark, Robert Elkins, Joan Kessner, Larry Markel, Mary McCormick-Barger, Steve Trent, and Rich Weiss. I. Huei Meznarich requested comments on the minutes from the October 16, 2012 meeting. No HASQARD Focus Group members present stated any

  20. HASQARD Focus Group

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

    0, 2013 The meeting was called to order by Huei Meznarich, HASQARD Focus Group Chair at 2:05 PM on August 20, 2013 in Conference Room 308 at 2420 Stevens. Those attending were: Huei Meznarich (Focus Group Chair), Cliff Watkins (Focus Group Secretary), Taffy Almeida, Glen Clark, Robert Elkins, Scot Fitzgerald, Joan Kessner, Steve Smith, Rich Weiss and Eric Wyse. I. Huei Meznarich asked if there were any comments on the minutes from the July 23, 2013 meeting. No Focus Group members stated they had

  1. HASQARD Focus Group

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

    5, 2014 The meeting was called to order by Huei Meznarich, HASQARD Focus Group Chair at 2:10 PM on April 15, 2014 in Conference Room 308 at 2420 Stevens. Those attending were: Huei Meznarich (Focus Group Chair), Cliff Watkins (Focus Group Secretary), Glen Clark, Robert Elkins, Scot Fitzgerald, Mary McCormick-Barger, Karl Pool, Noe'l Smith-Jackson, and Eric Wyse. I. Huei Meznarich asked if there were any comments on the minutes from the March 18, 2014 meeting. No Focus Group members stated they

  2. Hydrogen Technologies Group

    SciTech Connect (OSTI)

    Not Available

    2008-03-01

    The Hydrogen Technologies Group at the National Renewable Energy Laboratory advances the Hydrogen Technologies and Systems Center's mission by researching a variety of hydrogen technologies.

  3. The Chaninik Wind Group

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

    Energy Chaninik Wind Group Villages Kongiganak pop.359 Kwigillingok pop. 388 Kipnuk pop.644 Tuntutuliak pop. 370 On average, 24% of families are below the poverty line. ...

  4. SCM Working Group

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

    Modeling Working Group Translator Update Shaocheng Xie Lawrence Livermore National Laboratory Outline 1. Data development in support of CMWG * Climate modeling best estimate data * ...

  5. Buildings Sector Working Group

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

    Group Forrestal 2E-069 July 22, 2013 2 * Residential projects - RECS update - Lighting model - Equipment, shell subsidies - ENERGY STAR benchmarking - Housing stock formation ...

  6. An Unprecedented NADPH Domain Conformation in Lysine Monooxygenase NbtG Provides Insights into Uncoupling of Oxygen Consumption from Substrate Hydroxylation

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

    Binda, Claudia; Robinson, Reeder M.; Martin del Campo, Julia S.; Keul, Nicholas D.; Rodriguez, Pedro J.; Robinson, Howard H.; Mattevi, Andrea; Sobrado, Pablo

    2015-03-23

    N-hydroxylating monooxygenases (NMOs) are involved in the biosynthesis of iron-chelating hydroxamate-containing siderophores that play a role in microbial virulence. These flavoenzymes catalyze the NADPH- and oxygen-dependent hydroxylation of amines, such as those found on the side chains of lysine and ornithine. In this work we report the biochemical and structural characterization of Nocardia farcinica Lys monooxygenase (NbtG), which has similar biochemical properties to mycobacterial homologs. NbtG is also active on D-Lys although it binds L-Lys with a higher affinity. Differently from the ornithine monooxygenases PvdA, SidA and KtzI, NbtG can use both NADH and NADPH and is highly uncoupled, producingmore » more superoxide and hydrogen peroxide than hydroxylated Lys. The crystal structure of NbtG solved at 2.4 Å resolution revealed an unexpected protein conformation with a 30° rotation of the NAD(P)H domain with respect to the FAD domain that precludes binding of the nicotinamide cofactor. This “occluded” structure may explain the biochemical properties of NbtG, specifically with regard to the substantial uncoupling and limited stabilization of the C4a-hydroperoxyflavin intermediate. We discuss the biological implications of these findings.« less

  7. Kinetics of the Hydrogen Atom Abstraction Reactions from 1?Butanol by Hydroxyl Radical: Theory Matches Experiment and More

    SciTech Connect (OSTI)

    Seal, Prasenjit; Oyedepo, Gbenga; Truhlar, Donald G.

    2013-01-17

    In the present work, we study the H atom abstraction reactions by hydroxyl radical at all five sites of 1-butanol. Multistructural variational transition state theory (MS-VTST) was employed to estimate the five thermal rate constants. MS-VTST utilizes a multifaceted dividing surface that accounts for the multiple conformational structures of the transition state, and we also include all the structures of the reactant molecule. The vibrational frequencies and minimum energy paths (MEPs) were computed using the M08-HX/MG3S electronic structure method. The required potential energy surfaces were obtained implicitly by direct dynamics employing interpolated variational transition state theory with mapping (IVTST-M) using a variational reaction path algorithm. The M08-HX/MG3S electronic model chemistry was then used to calculate multistructural torsional anharmonicity factors to complete the MS-VTST rate constant calculations. The results indicate that torsional anharmonicity is very important at higher temperatures, and neglecting it would lead to errors of 26 and 32 at 1000 and 1500 K, respectively. Our results for the sums of the site-specific rate constants agree very well with the experimental values of Hanson and co-workers at 896?1269 K and with the experimental results of Campbell et al. at 292 K, but slightly less well with the experiments of Wallington et al., Nelson et al., and Yujing and Mellouki at 253?372 K; nevertheless, the calculated rates are within a factor of 1.61 of all experimental values at all temperatures. This gives us confidence in the site-specific values, which are currently inaccessible to experiment.

  8. Unix File Groups at NERSC

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

    A user's default group is the same as their username. NERSC users usually belong to ... Useful Unix Group Commands Command Description groups username List group membership id ...

  9. TEC Working Group Topic Groups Routing Meeting Summaries | Department of

    Office of Environmental Management (EM)

    Energy Meeting Summaries TEC Working Group Topic Groups Routing Meeting Summaries MEETING SUMMARIES Atlanta TEC Meeting, Routing Topic Group Summary (101.72 KB) More Documents & Publications TEC Meeting Summaries - January - February 2007 TEC Working Group Topic Groups Rail Meeting Summaries TEC Working Group Topic Groups Rail Conference Call Summaries Rail Topic Group

  10. Structure, phase transitions, and isotope effects in [(CH3)4N]2PuCl6

    SciTech Connect (OSTI)

    Wilson, Richard E.

    2015-11-02

    The single crystal X-ray diffraction structure of [(CH3)4N]2PuCl6 is presented for the first time, resolving long standing confusion and speculation regarding the structure of this compound in the literature. A temperature dependent study of this compound shows that the structure of [(CH3)4N]2PuCl6 undergoes no fewer than two phase transitions between 100 and 360 K. The phase of [(CH3)4N]2PuCl6 at room temperature is Fd-3c a = 26.012(3) Å. At 360 K, the structure is in space group Fm-3m with a = 13.088(1) Å. The plutonium octahedra and tetramethylammonium cations undergo a rotative displacement and the degree of rotation varies with temperature, giving rise to the phase transition from Fm-3m to Fd-3c as the crystal is cooled. Synthesis and structural studies of the deuterated salt [(CD3)4N]2PuCl6 suggest that there is an isotopic effect associated with this phase transition as revealed by a changing transition temperature in the deuterated versus protonated compound indicating that the donor-acceptor interactions between the tetramethylammonium cations and the hexachloroplutonate anions are driving the phase transformation.