WorldWideScience

Sample records for metal-catalyzed c-n bond

  1. Tunable differentiation of tertiary C-H bonds in intramolecular transition metal-catalyzed nitrene transfer reactions.

    Science.gov (United States)

    Corbin, Joshua R; Schomaker, Jennifer M

    2017-04-13

    Metal-catalyzed nitrene transfer reactions are an appealing and efficient strategy for accessing tetrasubstituted amines through the direct amination of tertiary C-H bonds. Traditional catalysts for these reactions rely on substrate control to achieve site-selectivity in the C-H amination event; thus, tunability is challenging when competing C-H bonds have similar steric or electronic features. One consequence of this fact is that the impact of catalyst identity on the selectivity in the competitive amination of tertiary C-H bonds has not been well-explored, despite the potential for progress towards predictable and catalyst-controlled C-N bond formation. In this communication, we report investigations into tunable and site-selective nitrene transfers between tertiary C(sp 3 )-H bonds using a combination of transition metal catalysts, including complexes based on Ag, Mn, Rh and Ru. Particularly striking was the ability to reverse the selectivity of nitrene transfer by a simple change in the identity of the N-donor ligand supporting the Ag(i) complex. The combination of our Ag(i) catalysts with known Rh 2 (ii) complexes expands the scope of successful catalyst-controlled intramolecular nitrene transfer and represents a promising springboard for the future development of intermolecular C-H N-group transfer methods.

  2. Twisted Amides: From Obscurity to Broadly Useful Transition-Metal-Catalyzed Reactions by N-C Amide Bond Activation.

    Science.gov (United States)

    Liu, Chengwei; Szostak, Michal

    2017-05-29

    The concept of using amide bond distortion to modulate amidic resonance has been known for more than 75 years. Two classic twisted amides (bridged lactams) ingeniously designed and synthesized by Kirby and Stoltz to feature fully perpendicular amide bonds, and as a consequence emanate amino-ketone-like reactivity, are now routinely recognized in all organic chemistry textbooks. However, only recently the use of amide bond twist (distortion) has advanced to the general organic chemistry mainstream enabling a host of highly attractive N-C amide bond cross-coupling reactions of broad synthetic relevance. In this Minireview, we discuss recent progress in this area and present a detailed overview of the prominent role of amide bond destabilization as a driving force in the development of transition-metal-catalyzed cross-coupling reactions by N-C bond activation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Transition Metal Catalyzed Hydroarylation of Multiple Bonds: Exploration of Second Generation Ruthenium Catalysts and Extension to Copper Systems

    Energy Technology Data Exchange (ETDEWEB)

    T. Brent Gunnoe

    2011-02-17

    Catalysts provide foundational technology for the development of new materials and can enhance the efficiency of routes to known materials. New catalyst technologies offer the possibility of reducing energy and raw material consumption as well as enabling chemical processes with a lower environmental impact. The rising demand and expense of fossil resources has strained national and global economies and has increased the importance of accessing more efficient catalytic processes for the conversion of hydrocarbons to useful products. The goals of the research are to develop and understand single-site homogeneous catalysts for the conversion of readily available hydrocarbons into useful materials. A detailed understanding of these catalytic reactions could lead to the development of catalysts with improved activity, longevity and selectivity. Such transformations could reduce the environmental impact of hydrocarbon functionalization, conserve energy and valuable fossil resources and provide new technologies for the production of liquid fuels. This project is a collaborative effort that incorporates both experimental and computational studies to understand the details of transition metal catalyzed C-H activation and C-C bond forming reactions with olefins. Accomplishments of the current funding period include: (1) We have completed and published studies of C-H activation and catalytic olefin hydroarylation by TpRu{l_brace}P(pyr){sub 3}{r_brace}(NCMe)R (pyr = N-pyrrolyl) complexes. While these systems efficiently initiate stoichiometric benzene C-H activation, catalytic olefin hydroarylation is hindered by inhibition of olefin coordination, which is a result of the steric bulk of the P(pyr){sub 3} ligand. (2) We have extended our studies of catalytic olefin hydroarylation by TpRu(L)(NCMe)Ph systems to L = P(OCH{sub 2}){sub 3}CEt. Thus, we have now completed detailed mechanistic studies of four systems with L = CO, PMe{sub 3}, P(pyr){sub 3} and P(OCH{sub 2}){sub 3}CEt

  4. Metal-catalyzed living radical polymerization and radical polyaddition for precision polymer synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Mizutani, M; Satoh, K [Department of Applied Chemistry, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Kamigaito, M, E-mail: kamigait@apchem.nagoya-u.ac.j

    2009-08-01

    The metal-catalyzed radical addition reaction can be evolved into two different polymerization mechanisms, i.e.; chain- and step-growth polymerizations, while both the polymerizations are based on the same metal-catalyzed radical formation reaction. The former is a widely employed metal-catalyzed living radical polymerization or atom transfer radical polymerization of common vinyl monomers, and the latter is a novel metal-catalyzed radical polyaddition of designed monomer with an unconjugated C=C double bond and a reactive C-Cl bond in one molecule. The simultaneous ruthenium-catalyzed living radical polymerization of methyl acrylate and radical polyaddition of 3-butenyl 2-chloropropionate was achieved with Ru(Cp*)Cl(PPh{sub 3}){sub 2} to afford the controlled polymers, in which the homopolymer segments with the controlled chain length were connected by the ester linkage.

  5. C-N bond cleavage of anilines by a (salen)ruthenium(VI) nitrido complex.

    Science.gov (United States)

    Man, Wai-Lun; Xie, Jianhui; Pan, Yi; Lam, William W Y; Kwong, Hoi-Ki; Ip, Kwok-Wa; Yiu, Shek-Man; Lau, Kai-Chung; Lau, Tai-Chu

    2013-04-17

    We report experimental and computational studies of the facile oxidative C-N bond cleavage of anilines by a (salen)ruthenium(VI) nitrido complex. We provide evidence that the initial step involves nucleophilic attack of aniline at the nitrido ligand of the ruthenium complex, which is followed by proton and electron transfer to afford a (salen)ruthenium(II) diazonium intermediate. This intermediate then undergoes unimolecular decomposition to generate benzene and N2.

  6. Designing new catalytic C-C and C-N bond formations promoted by organoactinides

    International Nuclear Information System (INIS)

    Eisen, M.S.; Straub, T.; Haskel, A.

    1998-01-01

    Organoactinides of the type Cp 2 * AcMe 2 (Cp * =C 5 Me 5 ; Ac=Th; U) are active catalytic precursors for the oligomerization of terminal alkynes HC≡CR (R=alkyl, aryl, SiMe 3 ). The regioselectivity and the extent of oligomerization depend strongly on the alkyne substituent R, whereas the catalytic reactivity is similar for both organoactinides. Reaction with tert-butylacetylene yields regioselectively the E-2,4-disubstituted 1-buten-3-yne dimer whereas trimethylsilylacetylene is regioselective trimerized to the E,E-1,4,6-tris(trimethylsilyl)-1,3-hexa diene-5-yne, with small amounts (3-5%) of the corresponding E-2,4-disubstituted 1-buten-3-yne dimer. Oligomerization with less bulky alkyl and aryl substituted alkynes produces a mixture of higher oligomers with no regioselectivity. Using the Cp 2 * ThMe 2 catalyst, we have recently developed a strategic method to control the extent and in some cases the regioselectivity of the catalyzed oligomerization of nonbulky terminal alkynes to dimers and/or trimers. The metallocene catalytic precursors ensure the selective synthesis of small oligomers by the addition of specific amines. Catalytic ''tailoring'' to dimer and trimers can be achieved by using small or bulky amines, respectively. Kinetic and mechanistic data for the controlling experiments argue that the turnover-limiting step involves the acetylide actinide complex formation with the rapid insertion of the alkyne and protonolysis by the amine. The analog Cp 2 * UMe 2 in the presence of primary amines induce the selective C-N bond formation, producing enamines which are tautomerized to the corresponding imines. (orig.)

  7. Recent advances in transition metal-catalyzed Csp2-monofluoro-, difluoro-, perfluoromethylation and trifluoromethylthiolation

    Directory of Open Access Journals (Sweden)

    Grégory Landelle

    2013-11-01

    Full Text Available In the last few years, transition metal-mediated reactions have joined the toolbox of chemists working in the field of fluorination for Life-Science oriented research. The successful execution of transition metal-catalyzed carbon–fluorine bond formation has become a landmark achievement in fluorine chemistry. This rapidly growing research field has been the subject of some excellent reviews. Our approach focuses exclusively on transition metal-catalyzed reactions that allow the introduction of –CFH2, –CF2H, –CnF2n+1 and –SCF3 groups onto sp² carbon atoms. Transformations are discussed according to the reaction-type and the metal employed. The review will not extend to conventional non-transition metal methods to these fluorinated groups.

  8. Transition metal-catalyzed carboxylation reactions with carbon dioxide.

    Science.gov (United States)

    Martin, Ruben; Tortajada, Andreu; Juliá-Hernández, Francisco; Borjesson, Marino; Moragas, Toni

    2018-05-03

    Driven by the inherent synthetic potential of CO2 as an abundant, inexpensive and renewable C1 chemical feedstock, the recent years have witnessed renewed interest in devising catalytic CO2 fixations into organic matter. Although the formation of C-C bonds via catalytic CO2 fixation remained rather limited for a long period of time, a close look into the recent literature data indicates that catalytic carboxylation reactions have entered a new era of exponential growth, evolving into a mature discipline that allows for streamlining the synthesis of carboxylic acids, building blocks of utmost relevance in industrial endeavours. These strategies have generally proven broadly applicability and convenient to perform. However, substantial challenges still need to be addressed reinforcing the need to cover metal-catalyzed carboxylation arena in a conceptual and concise manner, delineating the underlying new principles that are slowly emerging in this vibrant area of expertise. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Bonding structure and mechanical properties of B-C-N thin films synthesized by pulsed laser deposition at different laser fluences

    International Nuclear Information System (INIS)

    Wang, C.B.; Xiao, J.L.; Shen, Q.; Zhang, L.M.

    2016-01-01

    Boron carbon nitride (B-C-N) thin films have been grown by pulsed laser deposition under different laser fluences changing from 1.0 to 3.0 J/cm"2. The influence of laser fluence on microstructure, bonding structure, and mechanical properties of the films was studied, so as to explore the possibility of improving their mechanical properties by controlling bonding structure. The bonding structure identified by FT-IR and XPS indicated the coexistence of B-N, B-C, N-C and N=C bonds in the films, suggesting the formation of a ternary B-C-N hybridization. There is a clear evolution of bonding structure in the B-C-N films with the increasing of laser fluence. The variation of the mechanical properties as a function of laser fluence was also in accordance with the evolution of B-C and sp"3 N-C bonds whereas contrary to that of sp"2 B-N and N=C bonds. The hardness and modulus reached the maximum value of 33.7 GPa and 256 GPa, respectively, at a laser fluence of 3.0 J/cm"2, where the B-C-N thin films synthesized by pulsed laser deposition possessed the highest intensity of B-C and N-C bonds and the lowest fraction of B-N and N=C bonds. - Highlights: • Improvement of mechanical property by controlling bonding structure is explored. • A clear evolution of bonding structure with the increasing of laser fluence • Variation of property is in accordance with the evolution of B−C and N−C bonds.

  10. Reprocessing and Recycling of Highly Cross-Linked Ion-Conducting Networks through Transalkylation Exchanges of C-N Bonds.

    Science.gov (United States)

    Obadia, Mona M; Mudraboyina, Bhanu P; Serghei, Anatoli; Montarnal, Damien; Drockenmuller, Eric

    2015-05-13

    Exploiting exchangeable covalent bonds as dynamic cross-links recently afforded a new class of polymer materials coined as vitrimers. These permanent networks are insoluble and infusible, but the network topology can be reshuffled at high temperatures, thus enabling glasslike plastic deformation and reprocessing without depolymerization. We disclose herein the development of functional and high-value ion-conducting vitrimers that take inspiration from poly(ionic liquid)s. Tunable networks with high ionic content are obtained by the solvent- and catalyst-free polyaddition of an α-azide-ω-alkyne monomer and simultaneous alkylation of the resulting poly(1,2,3-triazole)s with a series of difunctional cross-linking agents. Temperature-induced transalkylation exchanges of C-N bonds between 1,2,3-triazolium cross-links and halide-functionalized dangling chains enable recycling and reprocessing of these highly cross-linked permanent networks. They can also be recycled by depolymerization with specific solvents able to displace the transalkylation equilibrium, and they display a great potential for applications that require solid electrolytes with excellent mechanical performances and facile processing such as supercapacitors, batteries, fuel cells, and separation membranes.

  11. Investigation of transition metal-catalyzed nitrene transfer reactions in water.

    Science.gov (United States)

    Alderson, Juliet M; Corbin, Joshua R; Schomaker, Jennifer M

    2018-04-11

    Transition metal-catalyzed nitrene transfer is a powerful method for incorporating new CN bonds into relatively unfunctionalized scaffolds. In this communication, we report the first examples of site- and chemoselective CH bond amination reactions in aqueous media. The unexpected ability to employ water as the solvent in these reactions is advantageous in that it eliminates toxic solvent use and enables reactions to be run at increased concentrations with lower oxidant loadings. Using water as the reaction medium has potential to expand the scope of nitrene transfer to encompass a variety of biomolecules and highly polar substrates, as well as enable pH control over the site-selectivity of CH bond amination. Copyright © 2018 Elsevier Ltd. All rights reserved.

  12. Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.

    Science.gov (United States)

    Farndon, Joshua J; Ma, Xiaofeng; Bower, John F

    2017-10-11

    We outline a simple protocol that accesses directly unprotected secondary amines by intramolecular C-N bond forming dearomatization or aryl C-H amination. The method is dependent on the generation of a potent electrophilic aminating agent released by in situ deprotection of O-Ts activated N-Boc hydroxylamines.

  13. Metal-catalyzed asymmetric aldol reactions

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Luiz C.; Lucca Junior, Emilio C. de; Ferreira, Marco A. B.; Polo, Ellen C., E-mail: ldias@iqm.unicamp.br [Universidade de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica

    2012-12-15

    The aldol reaction is one of the most powerful and versatile methods for the construction of C-C bonds. Traditionally, this reaction was developed in a stoichiometric version; however, great efforts in the development of chiral catalysts for aldol reactions were performed in recent years. Thus, in this review article, the development of metal-mediated chiral catalysts in Mukaiyama-type aldol reaction, reductive aldol reaction and direct aldol reaction are discussed. Moreover, the application of these catalysts in the total synthesis of complex molecules is discussed. (author)

  14. Evidence of amino acid precursors: C-N bond coupling in simulated interstellar CO2/NH3 ices

    Science.gov (United States)

    Esmaili, Sasan

    2015-08-01

    Low energy secondary electrons are abundantly produced in astrophysical or planetary ices by the numerous ionizing radiation fields typically encountered in space environments and may thus play a role in the radiation processing of such ices [1]. One approach to determine their chemical effect is to irradiate nanometer thick molecular solids of simple molecular constituents, with energy selected electron beams and to monitor changes in film chemistry with the surface analytical techniques [2].Of particular interest is the formation of HCN, which is a signature of dense gases in interstellar clouds, and is ubiquitous in the ISM. Moreover, the chemistry of HCN radiolysis products such as CN- may be essential to understand of the formation of amino acids [3] and purine DNA bases. Here we present new results on the irradiation of multilayer films of CO2 and NH3 with 70 eV electrons, leading to CN bond formations. The electron stimulated desorption (ESD) yields of cations and anions are recorded as a function of electron fluence. The prompt desorption of cationic reaction/scattering products [4], is observed at low fluence (~4x1013 electrons/cm2). Detected ions include C2+, C2O2+, C2O+, CO3+, C2O3+ or CO4+ from pure CO2, and N+, NH+, NH2+, NH3+, NH4+, N2+, N2H+ from pure NH3, and NO+, NOH+ from CO2/NH3 mixtures. Most saliently, increasing signals of negative ion products desorbing during prolonged irradiation of CO2/NH3 films included C2-, C2H-, C2H2-, as well as CN-, HCN- and H2CN-. The identification of particular product ions was accomplished by using 13CO2 and 15NH3 isotopes. The chemistry induced by electrons in pure films of CO2 and NH3 and mixtures with composition ratios (3:1), (1:1), and (1:3), was also studied by X-ray photoelectron spectroscopy (XPS). Irradiation of CO2/NH3 mixed films at 22 K produces species containing the following bonds/functional groups identified by XPS: C=O, O-H, C-C, C-O, C=N and N=O. (This work has been funded by NSERC).

  15. Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.

    Science.gov (United States)

    Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K

    2015-09-18

    The higher propensity of C-N over C-S bond forming ability was demonstrated, through formal C-H functionalization during the construction of 4,5-disubstituted 1,2,4-triazole-3-thiones from arylidenearylthiosemicarbazides catalyzed by Cu(II). However, steric factors imparted by the o-disubstituted substrates tend to change the reaction path giving thiodiazole as the major or an exclusive product. Upon prolonging the reaction time, the in situ generated thiones are transformed to 4,5-disubstituted 1,2,4-triazoles via a desulfurization process. Two classes of heterocycles viz. 4,5-disubstituted 1,2,4-triazole-3-thiones and 4,5-disubstituted 1,2,4-triazoles can be synthesized from arylidenearylthiosemicarbazides by simply adjusting the reaction time. Desulfurization of 1,2,4-triazole-3-thiones is assisted by thiophilic Cu to provide 1,2,4-triazoles with concomitant formation of CuS and polynuclear sulfur anions as confirmed from scanning electron microscope and energy dispersive X-ray spectroscopy measurements. A one-pot synthesis of an antimicrobial compound has been successfully achieved following this strategy.

  16. Recent advances in transition-metal-catalyzed intermolecular carbomagnesiation and carbozincation

    Directory of Open Access Journals (Sweden)

    Kei Murakami

    2013-02-01

    Full Text Available Carbomagnesiation and carbozincation reactions are efficient and direct routes to prepare complex and stereodefined organomagnesium and organozinc reagents. However, carbon–carbon unsaturated bonds are generally unreactive toward organomagnesium and organozinc reagents. Thus, transition metals were employed to accomplish the carbometalation involving wide varieties of substrates and reagents. Recent advances of transition-metal-catalyzed carbomagnesiation and carbozincation reactions are reviewed in this article. The contents are separated into five sections: carbomagnesiation and carbozincation of (1 alkynes bearing an electron-withdrawing group; (2 alkynes bearing a directing group; (3 strained cyclopropenes; (4 unactivated alkynes or alkenes; and (5 substrates that have two carbon–carbon unsaturated bonds (allenes, dienes, enynes, or diynes.

  17. Efficient C-O and C-N bond forming cross-coupling reactions catalyzed by core-shell structured Cu/Cu2O nanowires

    KAUST Repository

    Elshewy, Ahmed M.

    2013-12-01

    Oxygen and Nitrogen containing compounds are of utmost importance due to their interesting and diverse biological activities. The construction of the C-O and C–N bonds is of significance as it opens avenues for the introduction of ether and amine linkages in organic molecules. Despite significant advancements in this field, the construction of C-O and C–N bonds is still a major challenge for organic chemists, due to the involvement of harsh reaction conditions or the use of expensive catalysts or ligands in many cases. Thus, it is a challenge to develop alternative, milder, cheaper and more reproducible methodologies for the construction of these types of bonds. Herein, we introduce a new efficient ligand free catalytic system for C-O and C-N bond formation reactions.

  18. Synthesis of heterocycles through transition-metal-catalyzed isomerization reactions

    DEFF Research Database (Denmark)

    Ishøy, Mette; Nielsen, Thomas Eiland

    2014-01-01

    of structurally complex and diverse heterocycles. In this Concept article, we attempt to cover this area of research through a selection of recent versatile examples. A sea of opportunities! Transition-metal-catalyzed isomerization of N- and O-allylic compounds provides a mild, selective and synthetically...... versatile method to form iminium and oxocarbenium ions. Given the number of reactions involving these highly electrophilic intermediates, this concept provides a sea of opportunities for heterocycle synthesis, (see scheme; Nu=nucleophile). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim....

  19. Experimental and theoretical investigation of the production of cations containing C-N bonds in the reaction of benzene with atomic nitrogen ions

    International Nuclear Information System (INIS)

    Di Stefano, Marco; Rosi, Marzio; Sgamellotti, Antonio; Ascenzi, Daniela; Bassi, Davide; Franceschi, Pietro; Tosi, Paolo

    2003-01-01

    In the last few years, astronomical spectra have revealed the presence of aromatic and polyaromatic molecules in extraterrestrial environments, near carbon stars, in molecular clouds and meteorites. Moreover, the recent observation of benzene in interstellar space has noticeably increased the interest in the entire class of molecules and in their chemical behavior. In this work, we have investigated the reaction between the benzene molecule and the atomic nitrogen cation and, in particular, the mechanisms by which the reactants are converted into cationic products containing at least one C-N bond, according to the general scheme C 6 H 6 +N + →H m C n N + +C x H y . We have measured the energy dependence of the cross section in a guided ion beam tandem mass spectrometer. Relevant stationary points of the potential energy surface have been studied by using the density functional theory hybrid functional B3LYP with the 6-31G* basis set. Thermochemical calculations, and the comparison with experimental results, allow us to distinguish between exoergic and endoergic processes and to obtain a detailed description of the reaction mechanisms. We show that aromatic hydrocarbons may be converted into organic-nitrogen compounds via the insertion of N + into the benzene ring and the formation of C-N bonds from C-C ring reactants

  20. C-N Bond Activation and Ring Opening of a Saturated N-Heterocyclic Carbene by Lateral Alkali-Metal-Mediated Metalation.

    Science.gov (United States)

    Hernán-Gómez, Alberto; Kennedy, Alan R; Hevia, Eva

    2017-06-01

    Combining alkali-metal-mediated metalation (AMMM) and N-heterocyclic carbene (NHC) chemistry, a novel C-N bond activation and ring-opening process is described for these increasingly important NHC molecules, which are generally considered robust ancillary ligands. Here, mechanistic investigations on reactions of saturated NHC SIMes (SIMes=[:C{N(2,4,6-Me 3 C 6 H 2 )CH 2 } 2 ]) with Group 1 alkyl bases suggest this destructive process is triggered by lateral metalation of the carbene. Exploiting co-complexation and trans-metal-trapping strategies with lower polarity organometallic reagents (Mg(CH 2 SiMe 3 ) 2 and Al(TMP)iBu 2 ), key intermediates in this process have been isolated and structurally defined. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Conversion of amides to esters by the nickel-catalysed activation of amide C-N bonds.

    Science.gov (United States)

    Hie, Liana; Fine Nathel, Noah F; Shah, Tejas K; Baker, Emma L; Hong, Xin; Yang, Yun-Fang; Liu, Peng; Houk, K N; Garg, Neil K

    2015-08-06

    Amides are common functional groups that have been studied for more than a century. They are the key building blocks of proteins and are present in a broad range of other natural and synthetic compounds. Amides are known to be poor electrophiles, which is typically attributed to the resonance stability of the amide bond. Although amides can readily be cleaved by enzymes such as proteases, it is difficult to selectively break the carbon-nitrogen bond of an amide using synthetic chemistry. Here we demonstrate that amide carbon-nitrogen bonds can be activated and cleaved using nickel catalysts. We use this methodology to convert amides to esters, which is a challenging and underdeveloped transformation. The reaction methodology proceeds under exceptionally mild reaction conditions, and avoids the use of a large excess of an alcohol nucleophile. Density functional theory calculations provide insight into the thermodynamics and catalytic cycle of the amide-to-ester transformation. Our results provide a way to harness amide functional groups as synthetic building blocks and are expected to lead to the further use of amides in the construction of carbon-heteroatom or carbon-carbon bonds using non-precious-metal catalysis.

  2. A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.

    Science.gov (United States)

    Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru

    2018-05-22

    The catalytic activities of eight copper(i) halide clusters assembled from copper(i) halide and ferrocenyltelluroethers, 1-8, were investigated in C-N formation under various conditions. A catalytic procedure using poly(ethylene glycol) (PEG-400) as a greener alternative organic solvent has been developed. The PEG-400/5 system can achieve 99% targeted yield with a mild reaction temperature and short reaction time. After the isolation of the products by extraction with diethyl ether, this PEG-400/cluster system could be easily recycled. Spectroscopic studies elucidate a stepwise mechanism: firstly, proton-coupled electron transfer (PCET) involving the transfer of an electron from Cu+ and a proton from imidazole results in the formation of a labile penta-coordinated Cu2+ and aryl radical; the following effective electron transfer from the ferrocene unit reduces Cu2+ and forms the target product; finally, the ferrocenium unit is reduced by the I- anion. The merits of this eco-friendly synthesis are the efficient utilization of reagents and easy recyclability.

  3. Synthesis and structure of unprecedented samarium complex with bulky bis-iminopyrrolyl ligand via intramolecular C=N bond activation

    Energy Technology Data Exchange (ETDEWEB)

    Das, Suman; Anga, Srinivas; Harinath, Adimulam; Panda, Tarun K. [Department of Chemistry, Indian Institute of Technology, Hyderabad (India); Pada Nayek, Hari [Department of Applied Chemistry, Indian Institute of Technology, (ISM) Dhanbad, Jharkhand (India)

    2017-12-29

    An unprecedentate samarium complex of the molecular composition [{κ"3-{(Ph_2CH)N=CH}{sub 2}C{sub 4}H{sub 2}N}{κ"3-{(Ph_2CHN=CH)(Ph_2CHNCH)C_4H_2N}Sm}{sub 2}] (2), which was isolated by the reaction of a potassium salt of 2,5-bis{N-(diphenylmethyl)-iminomethyl}pyrrolyl ligand [K(THF){sub 2}{(Ph_2CH)N=CH}{sub 2}C{sub 4}H{sub 2}N] (1) with anhydrous samarium diiodide in THF at 60 C through the in situ reduction of imine bond is presented. The homoleptic samarium complex [[κ{sup 3}-{(Ph_2CH)-N=CH}{sub 2}C{sub 4}H{sub 2}N]{sub 3}Sm] (3) can also be obtained from the reaction of compound 1 with anhydrous samarium triiodide (SmI{sub 3}) in THF at 60 C. The molecular structures of complexes 2 and 3 were established by single-crystal X-ray diffraction analysis. The molecular structure of complex 2 reveals the formation of a C-C bond in the 2,5-bis{N-(diphenylmethyl)iminomethyl}pyrrole ligand moiety (Ph{sub 2}Py{sup -}). However, complex 3 is a homoleptic samarium complex of three bis-iminopyrrolyl ligands. In complex 2, the samarium ion adopts an octahedral arrangement, whereas in complex 3, a distorted three face-centered trigonal prismatic mode of nine coordination is observed around the metal ion. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. A quantitative relationship for the shock sensitivities of energetic compounds based on X-NO(2) (X=C, N, O) bond dissociation energy.

    Science.gov (United States)

    Li, Jinshan

    2010-08-15

    The ZPE-corrected X-NO(2) (X=C, N, O) bond dissociation energies (BDEs(ZPE)) of 11 energetic nitrocompounds of different types have been calculated employing density functional theory methods. Computed results show that using the 6-31G** basis set the UB3LYP calculated BDE(ZPE) is less than the UB3P86. For these typical energetic nitrocompounds the shock-initiated pressure (P(98)) is strongly related to the BDE(ZPE) indeed, and a polynomial correlation of ln(P(98)) with the BDE(ZPE) has been established successfully at different density functional theory levels, which provides a method to address the shock sensitivity problem. Copyright 2010 Elsevier B.V. All rights reserved.

  5. Heterocycles by Transition Metals Catalyzed Intramolecular Cyclization of Acetylene Compounds

    International Nuclear Information System (INIS)

    Vizer, S.A.; Yerzhanov, K.B.; Dedeshko, E.C.

    2003-01-01

    Review shows the new strategies in the synthesis of heterocycles, having nitrogen, oxygen and sulfur atoms, via transition metals catalyzed intramolecular cyclization of acetylenic compounds on the data published at the last 30 years, Unsaturated heterocyclic compounds (pyrroles and pyrroline, furans, dihydro furans and benzofurans, indoles and iso-indoles, isoquinolines and isoquinolinones, aurones, iso coumarins and oxazolinone, lactams and lactones with various substitutes in heterocycles) are formed by transition metals, those salts [PdCl 2 , Pd(OAc) 2 , HgCl 2 , Hg(OAc) 2 , Hg(OCOCF 3 ) 2 , AuCl 3 ·2H 2 O, NaAuCl 4 ·2H 2 O, CuI, CuCl], oxides (HgO) and complexes [Pd(OAc) 2 (PPh 3 )2, Pd(PPh 3 ) 4 , PdCl 2 (MeCN) 2 , Pd(OAc ) 2 /TPPTS] catalyzed intramolecular cyclization of acetylenic amines, amides, ethers, alcohols, acids, ketones and βdiketones. More complex hetero polycyclic systems typical for natural alkaloids can to obtain similar. Proposed mechanisms of pyrroles, isoquinolines, iso indoles and indoles, benzofurans and iso coumarins, thiazolopyrimidinones formation are considered. (author)

  6. Ruthenium(II) Complexes Containing Lutidine-Derived Pincer CNC Ligands: Synthesis, Structure, and Catalytic Hydrogenation of C-N bonds.

    Science.gov (United States)

    Hernández-Juárez, Martín; López-Serrano, Joaquín; Lara, Patricia; Morales-Cerón, Judith P; Vaquero, Mónica; Álvarez, Eleuterio; Salazar, Verónica; Suárez, Andrés

    2015-05-11

    A series of Ru complexes containing lutidine-derived pincer CNC ligands have been prepared by transmetalation with the corresponding silver-carbene derivatives. Characterization of these derivatives shows both mer and fac coordination of the CNC ligands depending on the wingtips of the N-heterocyclic carbene fragments. In the presence of tBuOK, the Ru-CNC complexes are active in the hydrogenation of a series of imines. In addition, these complexes catalyze the reversible hydrogenation of phenantridine. Detailed NMR spectroscopic studies have shown the capability of the CNC ligand to be deprotonated and get involved in ligand-assisted activation of dihydrogen. More interestingly, upon deprotonation, the Ru-CNC complex 5 e(BF4 ) is able to add aldimines to the metal-ligand framework to yield an amido complex. Finally, investigation of the mechanism of the hydrogenation of imines has been carried out by means of DFT calculations. The calculated mechanism involves outer-sphere stepwise hydrogen transfer to the C-N bond assisted either by the pincer ligand or a second coordinated H2 molecule. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Complementary Strategies for Directed C(sp3 )-H Functionalization: A Comparison of Transition-Metal-Catalyzed Activation, Hydrogen Atom Transfer, and Carbene/Nitrene Transfer.

    Science.gov (United States)

    Chu, John C K; Rovis, Tomislav

    2018-01-02

    The functionalization of C(sp 3 )-H bonds streamlines chemical synthesis by allowing the use of simple molecules and providing novel synthetic disconnections. Intensive recent efforts in the development of new reactions based on C-H functionalization have led to its wider adoption across a range of research areas. This Review discusses the strengths and weaknesses of three main approaches: transition-metal-catalyzed C-H activation, 1,n-hydrogen atom transfer, and transition-metal-catalyzed carbene/nitrene transfer, for the directed functionalization of unactivated C(sp 3 )-H bonds. For each strategy, the scope, the reactivity of different C-H bonds, the position of the reacting C-H bonds relative to the directing group, and stereochemical outcomes are illustrated with examples in the literature. The aim of this Review is to provide guidance for the use of C-H functionalization reactions and inspire future research in this area. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Diazo compounds and N-tosylhydrazones: novel cross-coupling partners in transition-metal-catalyzed reactions.

    Science.gov (United States)

    Xiao, Qing; Zhang, Yan; Wang, Jianbo

    2013-02-19

    Transition-metal-catalyzed carbene transformations and cross-couplings represent two major reaction types in organometallic chemistry and organic synthesis. However, for a long period of time, these two important areas have evolved separately, with essentially no overlap or integration. Thus, an intriguing question has emerged: can cross-coupling and metal carbene transformations be merged into a single reaction cycle? Such a combination could facilitate the development of novel carbon-carbon bond-forming methodologies. Although this concept was first explored about 10 years ago, rapid developments inthis area have been achieved recently. Palladium catalysts can be used to couple diazo compounds with a wide variety of organic halides. Under oxidative coupling conditions, diazo compounds can also react with arylboronic acids and terminal alkynes. Both of these coupling reactions form carbon-carbon double bonds. As the key step in these catalytic processes, Pd carbene migratory insertion plays a vital role in merging the elementary steps of Pd intermediates, leading to novel carbon-carbon bond formations. Because the diazo substrates can be generated in situ from N-tosylhydrazones in the presence of base, the N-tosylhydrazones can be used as reaction partners, making this type of cross-coupling reaction practical in organic synthesis. N-Tosylhydrazones are easily derived from the corresponding aldehydes or ketones. The Pd-catalyzed cross-coupling of N-tosylhydrazones is considered a complementary reaction to the classic Shapiro reaction for converting carbonyl functionalities into carbon-carbon double bonds. It can also serve as an alternative approach for the Pd-catalyzed cross-coupling of carbonyl compounds, which is usually achieved via triflates. The combination of carbene formation and cross-coupling in a single catalytic cycle is not limited to Pd-catalyzed reactions. Recent studies of Cu-, Rh-, Ni-, and Co-catalyzed cross-coupling reactions with diazo

  9. A novel enantiopure proline-based organickel(III) halide monocation with a pentadentate C, N2, O2-bonded bis(ortho-chelating) aryldiamine ligand

    NARCIS (Netherlands)

    Koten, G. van; Kuil, L.A. van de; Veldhuizen, Y.S.J.; Grove, D.M.; Zwikker, J.W.; Jenneskens, L.W.; Drenth, W.; Smeets, W.J.J.

    1995-01-01

    An attempt was made to use the enantiopure arylnickel(II) complex [Ni(L*-N, C, N)Br], 1, (L* is the monoanionic ligand, 2, 6-bis[(2-(S)-2-isopropoxycarbonyl-1-pyrrolidinyl)methyl]phenyl) as a catalyst for the Kharasch addition reaction of CCl4 to alkenes which led instead to a new ionic

  10. Ammonia and hydrazine. Transition-metal-catalyzed hydroamination and metal-free catalyzed functionalization

    Energy Technology Data Exchange (ETDEWEB)

    Bertrand, Guy [Univ. of California, San Diego, CA (United States)

    2012-06-29

    high temperatures and long reaction times. To address this issue, we have developed several new families of carbon- and boron-based ligands, which are even better donors. The corresponding metal complexes (particularly gold, rhodium, iridium, and ruthenium) of all these species will be tested in the Markovnikov and anti-Markovnikov hydroamination of alkynes, allenes, and also alkenes with ammonia and hydrazine. We will also develop metal-free catalytic processes for the functionalization of ammonia and hydrazine. By possessing both a lone pair of electrons and an accessible vacant orbital, singlet carbenes resemble and can mimic the chemical behavior of transition metals. Our preliminary results demonstrate that specially designed carbenes can split the N–H bond of ammonia by an initial nucleophilic activation that prevents the formation of Lewis acid-base adducts, which is the major hurdle for the transition metal catalyzed functionalization of NH3. The use of purely organic compounds as catalysts will eliminate the major drawbacks of transition-metal-catalysis technology, which are the excessive cost of metal complexes (metal + ligands) and in many cases the toxicity of the metal.

  11. Enhanced photocatalytic degradation of Amaranth dye on mesoporous anatase TiO2: evidence of C-N, N[double bond, length as m-dash]N bond cleavage and identification of new intermediates.

    Science.gov (United States)

    Naik, Amarja P; Salkar, Akshay V; Majik, Mahesh S; Morajkar, Pranay P

    2017-07-01

    The photocatalytic degradation mechanism of Amaranth, a recalcitrant carcinogenic azo dye, was investigated using mesoporous anatase TiO 2 under sunlight. Mesoporous anatase TiO 2 of a high photocatalytic activity has been synthesized using a sol-gel method and its photocatalytic activity for the degradation of Amaranth dye has been evaluated with respect to Degussa P25. The effect of bi-dentate complexing agents like oxalic acid, ethylene glycol and urea on the surface properties of TiO 2 catalyst has been investigated using TG-DTA, FTIR, HR-TEM, SAED, PXRD, EDS, UV-DRS, PL, BET N 2 adsorption-desorption isotherm studies and BJH analysis. The influence of catalyst properties such as the mesoporous network, pore volume and surface area on the kinetics of degradation of Amaranth as a function of irradiation time under natural sunlight has been monitored using UV-Vis spectroscopy. The highest rate constant value of 0.069 min -1 was obtained for the photocatalytic degradation of Amaranth using TiO 2 synthesized via a urea assisted sol-gel synthesis method. The effect of the reaction conditions such as pH, TiO 2 concentration and Amaranth concentration on the photodegradation rate has been investigated. The enhanced photocatalytic activity of synthesized TiO 2 in comparison with P25 is attributed to the mesoporous nature of the catalyst leading to increased pore diameter, pore volume, surface area and enhanced charge carrier separation efficiency. New intermediates of photocatalytic degradation of Amaranth, namely, sodium-3-hydroxynaphthalene-2,7-disulphonate, 3-hydroxynaphthalene, sodium-4-aminonaphthalenesulphonate and sodium-4-aminobenzenesulphonate have been identified using LC-ESI-MS for the very first time, providing direct evidence for simultaneous bond cleavage pathways (-C-N-) and (-N[double bond, length as m-dash]N-). A new plausible mechanism of TiO 2 catalysed photodegradation of Amaranth along with the comparison of its toxicity to that of its degradation

  12. Efficient C-O and C-N bond forming cross-coupling reactions catalyzed by core-shell structured Cu/Cu2O nanowires

    KAUST Repository

    Elshewy, Ahmed M.

    2013-01-01

    linkages in organic molecules. Despite significant advancements in this field, the construction of C-O and C–N bonds is still a major challenge for organic chemists, due to the involvement of harsh reaction conditions or the use of expensive catalysts

  13. Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf.

    Science.gov (United States)

    Aprile, Antonino; Iversen, Kalon J; Wilson, David J D; Dutton, Jason L

    2015-05-18

    We report a novel C-H to C-N bond metathesis at the 3-position of 1,2-diphenyltellurophene via oxidation of the Te(II) center to Te(IV) using the I(III) oxidant [PhI(4-DMAP)2](2+). Spontaneous reduction of a transient Te(IV) coordination compound to Te(II) generates an electrophilic equivalent of 4-DMAP that substitutes at a C-H bond at the 3-position of the tellurophene. Theoretical and synthetic reaction pathway studies confirm that a Te(IV) coordination complex with 4-DMAP is an intermediate. In the course of these pathway studies, it was also found that the identity of the I(III) oxidant generated from PhI(OAc)2 and 2 TMS-OTf is PhI(OAc)(OTf) and not PhI(OTf)2, as had been previously thought.

  14. Transition Metal Catalyzed Reactions for Forming Carbon–Oxygen and Carbon–Carbon Bonds

    DEFF Research Database (Denmark)

    Sølvhøj, Amanda Birgitte

    , using the radical precursor as solvent, in the presence of 10–12 % of MnCl2, and refluxing overnight in the presence of air. A simple acidic workup and purification by chromatography yielded the products in moderate to good yield. The radical precursor can be a cyclic or acyclic ether or even...

  15. Transition metal catalyzed carbonylation reactions carbonylative activation of C-X bonds

    CERN Document Server

    Beller, Matthias

    2014-01-01

    This book provides students and researchers in organic synthesis with a detailed discussion of carbonylation from the basics through to applications. It discusses the past, present and future of carbonylation reactions.

  16. Early-transition-metal ketenimine complexes. Synthesis, reactivity, and structural characterization of complexes with. eta. sup 2 (C,N)-ketenimine groups bound to the halogenobis((trimethylsilyl)cyclopentadienyl)niobium unit. X-ray structure of Nb(. eta. sup 5 -C sub 5 H sub 4 SiMe sub 3 ) sub 2 Cl(. eta. sup 2 (C,N)-PhN double bond C double bond CPh sub 2 )

    Energy Technology Data Exchange (ETDEWEB)

    Antinolo, A.; Fajardo, M.; Lopez Mardomingo, C.; Otero, A. (Univ. de Alcala de Henares (Spain)); Mourad, Y.; Mugnier, Y. (Centre National de la Recherche Scientifique, Dijon (France)); Sanz-Aparicio, J.; Fonseca, I.; Florencio, F. (CSIC, Madrid (Spain))

    1990-11-01

    The reaction of Nb({eta}{sup 5}-C{sub 5}H{sub 4}SiMe{sub 3}){sub 2}X (X = Cl, Br) with 1 equiv of various ketenimines, R{sup 1}N{double bond}C{double bond}CR{sup 2}R{sup 3}, leads to the niobium derivatives Nb({eta}{sup 5}-C{sub 5}H{sub 4}SiMe{sub 3}){sub 2}X({eta}{sup 2}(C,N)-R{sup 1}N{double bond}C{double bond}CR{sup 2}R{sup 3}) (1, X = Cl, R{sup 1} = R{sup 2} = R{sup 3} = C{sub 6}H{sub 5}; 2, X = Cl, R{sup 1} = p-CH{sub 3}-C{sub 6}H{sub 4}, R{sup 2} = R{sup 3} = C{sub 6}H{sub 5}; 3, X = Br, R{sup 1} = R{sup 2} = R{sup 3} = C{sub 6}H{sub 5}; 4, X = Br, R{sup 1} = p-CH{sub 3}-C{sub 6}H{sub 4}, R{sup 2} = R{sup 3} = C{sub 6}H{sub 5}; 5, X = Cl, R{sup 1} = R{sup 2} = C{sub 6}H{sub 5}, R{sup 3} = CH{sub 3}; 6, X = Br, R{sup 1} = R{sup 2} = C{sub 6}H{sub 5}, R{sup 3} = CH{sub 3}) with the expected ketenimine C{double bond}N bonding mode. Reduction of 1 with 1 equiv of Na/Hg gives the complex Nb({eta}{sup 5}-C{sub 5}H{sub 4}SiMe{sub 3}){sub 2}({eta}{sup 2}(C,N)-PhN{double bond}C{double bond}CPh{sub 2}) (9) as a paramagnetic compound. The reduction of 9 with 1 equiv of Na/Hg and the subsequent addition of a proton source (ethanol) leads to the iminoacyl compound Nb({eta}{sup 5}-C{sub 5}H{sub 4}SiMe{sub 3}){sub 2}(CRNR{sup 1}) (10, R = CH(Ph{sub 2}), R{sup 1} = Ph). The one- and two-electron reductions of 1 have been studied by cyclic voltammetry experiments. The structure of 1 was determined by single-crystal X-ray diffractometry: a = 24.4904 (14) {angstrom}, b = 11.0435 (04) {angstrom}, c = 26.6130 (15) {angstrom}, {beta} = 109.890 (5){degree}, monoclinic, space group C2/c, Z = 8, V = 6,768.4 (5) {angstrom}{sup 3}, {rho}{sub calcd} = 1.3194 g/mL, R = 0.048, R{sub w} = 0.060 based on 4,806 observed reflections. The structure contains a niobium atom bonded to two cyclopentadienyl rings in a {eta}{sup 5} fashion; the coordination of the metal is completed by a Cl atom and a {eta}{sup 2}(C,N)-bonded ketenimine ligand.

  17. Elucidation of Mechanisms and Selectivities of Metal-Catalyzed Reactions using Quantum Chemical Methodology.

    Science.gov (United States)

    Santoro, Stefano; Kalek, Marcin; Huang, Genping; Himo, Fahmi

    2016-05-17

    Quantum chemical techniques today are indispensable for the detailed mechanistic understanding of catalytic reactions. The development of modern density functional theory approaches combined with the enormous growth in computer power have made it possible to treat quite large systems at a reasonable level of accuracy. Accordingly, quantum chemistry has been applied extensively to a wide variety of catalytic systems. A huge number of problems have been solved successfully, and vast amounts of chemical insights have been gained. In this Account, we summarize some of our recent work in this field. A number of examples concerned with transition metal-catalyzed reactions are selected, with emphasis on reactions with various kinds of selectivities. The discussed cases are (1) copper-catalyzed C-H bond amidation of indoles, (2) iridium-catalyzed C(sp(3))-H borylation of chlorosilanes, (3) vanadium-catalyzed Meyer-Schuster rearrangement and its combination with aldol- and Mannich-type additions, (4) palladium-catalyzed propargylic substitution with phosphorus nucleophiles, (5) rhodium-catalyzed 1:2 coupling of aldehydes and allenes, and finally (6) copper-catalyzed coupling of nitrones and alkynes to produce β-lactams (Kinugasa reaction). First, the methodology adopted in these studies is presented briefly. The electronic structure method in the great majority of these kinds of mechanistic investigations has for the last two decades been based on density functional theory. In the cases discussed here, mainly the B3LYP functional has been employed in conjunction with Grimme's empirical dispersion correction, which has been shown to improve the calculated energies significantly. The effect of the surrounding solvent is described by implicit solvation techniques, and the thermochemical corrections are included using the rigid-rotor harmonic oscillator approximation. The reviewed examples are chosen to illustrate the usefulness and versatility of the adopted methodology in

  18. Nucleophilic Aromatic Addition in Ionizing Environments: Observation and Analysis of New C-N Valence Bonds in Complexes between Naphthalene Radical Cation and Pyridine.

    Science.gov (United States)

    Peverati, Roberto; Platt, Sean P; Attah, Isaac K; Aziz, Saaudallah G; El-Shall, M Samy; Head-Gordon, Martin

    2017-08-30

    Radical organic ions can be stabilized by complexation with neutral organics via interactions that can resemble chemical bonds, but with much diminished bond energies. Those interactions are a key factor in cluster growth and polymerization reactions in ionizing environments such as regions of the interstellar medium and solar nebulae. Such radical cation complexes between naphthalene (Naph) and pyridine (Pyr) are characterized using mass-selected ion mobility experiments. The measured enthalpy of binding of the Naph +• (Pyr) heterodimer (20.9 kcal/mol) exceeds that of the Naph +• (Naph) homodimer (17.8 kcal/mol). The addition of 1-3 more pyridine molecules to the Naph +• (Pyr) heterodimer gives 10-11 kcal/mol increments in binding enthalpy. A rich array of Naph +• (Pyr) isomers are characterized by electronic structure calculations. The calculated Boltzmann distribution at 400 K yields an enthalpy of binding in reasonable agreement with experiment. The global minimum is a distonic cation formed by Pyr attack on Naph +• at the α-carbon, changing its hybridization from sp 2 to distorted sp 3 . The measured collision cross section in helium for the Naph +• (Pyr) heterodimer of 84.9 ± 2.5 Å 2 at 302 K agrees well with calculated angle-averaged cross sections (83.9-85.1 Å 2 at 302 K) of the lowest energy distonic structures. A remarkable 16 kcal/mol increase in the binding energy between Naph +• (Pyr) and Bz +• (Pyr) (Bz is benzene) is understood by energy decomposition analysis. A similar increase in binding from Naph +• (NH 3 ) to Naph +• (Pyr) (as well as between Bz +• (NH 3 ) and Bz +• (Pyr)) is likewise rationalized.

  19. Recent Advances in Ring-Opening Functionalization of Cycloalkanols by C-C σ-Bond Cleavage.

    Science.gov (United States)

    Wu, Xinxin; Zhu, Chen

    2018-06-01

    Cycloalkanols prove to be privileged precursors for the synthesis of distally substituted alkyl ketones and polycyclic aromatic hydrocarbons (PAHs) by virtue of cleavage of their cyclic C-C bonds. Direct functionalization of cyclobutanols to build up other chemical bonds (e. g., C-F, C-Cl, C-Br, C-N, C-S, C-Se, C-C, etc.) has been achieved by using the ring-opening strategy. Mechanistically, the C-C cleavage of cyclobutanols can be involved in two pathways: (a) transition-metal catalyzed β-carbon elimination; (b) radical-mediated 'radical clock'-type ring opening. The recent advances of our group for the ring-opening functionalization of tertiary cycloalkanols are described in this account. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Protein carbonylation and metal-catalyzed protein oxidation in a cellular perspective

    DEFF Research Database (Denmark)

    Møller, Ian Max; Rogowska-Wrzesinska, Adelina; Rao, R S P

    2011-01-01

    Proteins can become oxidatively modified in many different ways, either by direct oxidation of amino acid side chains and protein backbone or indirectly by conjugation with oxidation products of polyunsaturated fatty acids and carbohydrates. While reversible oxidative modifications are thought...... to be relevant in physiological processes, irreversible oxidative modifications are known to contribute to cellular damage and disease. The most well-studied irreversible protein oxidation is carbonylation. In this work we first examine how protein carbonylation occurs via metal-catalyzed oxidation (MCO) in vivo...... and in vitro with an emphasis on cellular metal ion homeostasis and metal binding. We then review proteomic methods currently used for identifying carbonylated proteins and their sites of modification. Finally, we discuss the identified carbonylated proteins and the pattern of carbonylation sites in relation...

  1. Transition Metal Catalyzed Reactions of Carbohydrates: a Nonoxidative Approach to Oxygenated Organics

    Energy Technology Data Exchange (ETDEWEB)

    Andrews, Mark

    1997-01-08

    There is a critical need for new environmentally friendly processes in the United States chemical industry as legislative and economic pressures push the industry to zero-waste and cradle-to-grave responsibility for the products they produce. Carbohydrates represent a plentiful, renewable resource, which for some processes might economically replace fossil feedstocks. While the conversion of biomass to fuels, is still not generally economical, the selective synthesis of a commodity or fine chemical, however, could compete effectively if appropriate catalytic conversion systems can be found. Oxygenated organics, found in a variety of products such as nylon and polyester, are particularly attractive targets. We believe that with concerted research efforts, homogeneous transition metal catalyzed reactions could play a significant role in bringing about this future green chemistry technology.

  2. C N Sundaresan

    Indian Academy of Sciences (India)

    Fascinating Organic Molecules from Nature - Colours in Flight - Pigments from Bird Feathers and Butterfly Wings · N R Krishnaswamy C N Sundaresan · More Details Fulltext PDF. Volume 18 Issue 3 March 2013 pp 218-225 Series Article. Fascinating Organic Molecules from Nature - Hunting with Poisoned Arrows: Story of ...

  3. [Effects of metal-catalyzed oxidation on the formation of advanced oxidation protein products].

    Science.gov (United States)

    Li, Li; Peng, Ai; Zhu, Kai-Yuan; Yu, Hong; Ll, Xin-Hua; Li, Chang-Bin

    2008-03-11

    To explore the relationship between metal-catalyzed oxidation (MCO) and the formation of advanced oxidation protein products (AOPPs). Specimens of human serum albumin (HSA) and pooled plasma were collected from 3 healthy volunteers and 4 uremia patients were divided into 3 groups: Group A incubated with copper sulfate solution of the concentrations of 0, 0.2, or 0.5 mmol/L, Group B, incubated with hydrogen peroxide 2 mmol/L, and Group C, incubated with copper sulfate 0.2 or 0.5 mmol/L plus hydrogen peroxide 2 mmol/L. 30 min and 24 h later the AOPP level was determined by ultraviolet visible spectrophotometry. High-performance liquid chromatography (HPLC) was used to observe the fragmentation effect on plasma proteins. Ninhydrin method was used to examine the protein fragments. The scavenging capacity of hydroxyl radical by macromolecules was measured so as to estimate the extent of damage for proteins induced by MCO. (1) The AOPP level of the HSA and plasma specimens of the uremia patients increased along with the increase of cupric ion concentration in a dose-dependent manner, especially in the presence of hydrogen peroxide (P < 0.05). (2) Aggregation of proteins was almost negligible in all groups, however, HPLC showed that cupric ion with or without hydrogen peroxide increased the fragments in the HAS specimens (with a relative molecular mass of 5000) and uremia patients' plasma proteins (with the molecular mass 7000). (3) The plasma AOPP level of the healthy volunteers was 68.2 micromol/L +/- 2.4 micromol/L, significantly lower than that of the uremia patients (158.5 micromol/L +/- 8.2 micromol/L). (4) The scavenging ability to clear hydroxyl radical by plasma proteins of the healthy volunteers was 1.38 -9.03 times as higher than that of the uremia patients. MCO contributes to the formation of AOPPs mainly through its fragmentation effect to proteins.

  4. Transition metal-catalyzed couplings of alkynes to 1,3-enynes: modern methods and synthetic applications.

    Science.gov (United States)

    Trost, Barry M; Masters, James T

    2016-04-21

    The metal-catalyzed coupling of alkynes is a powerful method for the preparation of 1,3-enynes, compounds that are of broad interest in organic synthesis. Numerous strategies have been developed for the homo- and cross coupling of alkynes to enynes via transition metal catalysis. In such reactions, a major issue is the control of regio-, stereo-, and, where applicable, chemoselectivity. Herein, we highlight prominent methods for the selective synthesis of these valuable compounds. Further, we illustrate the utility of these processes through specific examples of their application in carbocycle, heterocycle, and natural product syntheses.

  5. A metal-catalyzed enyne-cyclization step for the synthesis of bi- and tricyclic scaffolds amenable to molecular library production

    DEFF Research Database (Denmark)

    Wu, Peng; Cohrt, Anders Emil O'Hanlon; Petersen, Rico

    2016-01-01

    A facile metal-catalyzed diversification step for the synthesis of novel bi- and tricyclic scaffolds from enyne substrates is reported in this study. From a single starting material, topologically diverse scaffolds for library synthesis can be generated and decorated in a few steps. The methodology...

  6. Synthesis of hexahydropyrrolo[2,1-a]isoquinoline compound libraries through a Pictet–Spengler cyclization/metal-catalyzed cross coupling/amidation sequence

    DEFF Research Database (Denmark)

    Petersen, Rico; Cohrt, A. Emil; Petersen, Michael Åxman

    2015-01-01

    incorporating two handles for diversification, were synthesized through an oxidative cleavage/Pictet–Spengler reaction sequence in high overall yields. A subsequent metal-catalyzed cross coupling/amidation protocol was developed and its utility in library synthesis was validated by construction of a 20-membered...

  7. Synthesis of heterocycles via transition-metal-catalyzed hydroarylation of alkynes.

    Science.gov (United States)

    Yamamoto, Yoshihiko

    2014-03-07

    Transition-metal (TM)-catalyzed hydroarylation reactions of alkynes have received much attention, because they enable the net insertion of alkyne C-C triple bonds into C-H bonds of aromatic precursors, resulting in regio- and stereo-selective formation of synthetically useful arylalkenes. Taking advantage of this feature, TM-catalyzed alkyne hydroarylations have been successfully used for the synthesis of heterocycles. TM-catalyzed alkyne hydroarylations can be classified into three major categories depending on the type of reaction and precursors involved: (1) palladium-catalyzed reductive Heck reactions of alkynes with aryl halides, (2) TM-catalyzed conjugate arylation reactions of activated alkynes with arylboronic acids, and (3) TM-catalyzed aromatic C-H alkenylations with alkynes. This review surveys heterocycle synthesis via TM-catalyzed hydroarylation of alkynes according to the above classification, with an emphasis on the scope and limitations, as well as the underlying mechanisms.

  8. Transition-Metal-Catalyzed Decarbonylative Coupling Reactions: Concepts, Classifications, and Applications

    KAUST Repository

    Guo, Lin; Rueping, Magnus

    2018-01-01

    Transition metal‐catalyzed decarbonylative coupling reactions have emerged as a powerful alternative to conventional cross‐coupling protocols due to the advantages associated with the use of carbonyl‐containing functionalities as coupling electrophiles instead of commonly used organohalides or sulfates. A wide variety of novel transformations based on this concept have been successfully achieved, including decarbonylative carbon–carbon and carbon–heteroatom bond forming reactions. In this Review, we summarize the recent progress in this field and present a comprehensive overview of metal‐catalyzed decarbonylative coupling reactions with carbonyl derivatives.

  9. Transition-Metal-Catalyzed Decarbonylative Coupling Reactions: Concepts, Classifications, and Applications

    KAUST Repository

    Guo, Lin

    2018-05-14

    Transition metal‐catalyzed decarbonylative coupling reactions have emerged as a powerful alternative to conventional cross‐coupling protocols due to the advantages associated with the use of carbonyl‐containing functionalities as coupling electrophiles instead of commonly used organohalides or sulfates. A wide variety of novel transformations based on this concept have been successfully achieved, including decarbonylative carbon–carbon and carbon–heteroatom bond forming reactions. In this Review, we summarize the recent progress in this field and present a comprehensive overview of metal‐catalyzed decarbonylative coupling reactions with carbonyl derivatives.

  10. Mechanistic aspects of the metal catalyzed alternating copolymerization of epoxides and carbon monoxide.

    Science.gov (United States)

    Allmendinger, Markus; Molnar, Ferenc; Zintl, Manuela; Luinstra, Gerrit A; Preishuber-Pflügl, Peter; Rieger, Bernhard

    2005-09-05

    The cobalt-catalyzed alternating copolymerization of epoxides and CO is a novel, direct approach to aliphatic polyesters, such as poly(hydroxybutyrate) (PHB). This reaction was found to be catalyzed by Ph3Si[Co(CO)4] (4) and pyridine affording in a first step the stable mono-insertion product Ph3Si-O-CH(CH3)-CH2-CO-Co(CO)4 (5). However, a profound mechanistic understanding, especially of the role of pyridine as the key component for the polymerization reaction was missing. ATR-IR online monitoring under catalytic conditions and DFT calculations were used to show that an acylpyridinium cation is formed by cleavage of the cobalt-acyl bond of 5 in the presence of pyridine. The Lewis acid thus generated activates the next incoming epoxide monomer for ring opening through [Co(CO)4]-. The catalytic cycle is completed by a subsequent CO insertion in the new cobalt-alkyl bond. The calculations are used to explore the energetic hypersurface of the polymerization reaction and are complemented by extended experimental investigations that also support the mechanistic hypotheses.

  11. Synthesis of Polycyclic Ring Systems Using Transition Metal Catalyzed Cyclizations of Diazo Alkynyl Ketones

    Directory of Open Access Journals (Sweden)

    Albert Padwa

    2000-12-01

    Full Text Available The rhodium(II-catalyzed reaction of α-diazo ketones bearing tethered alkyne units represents a new and useful method for the construction of a variety of substituted cyclopentenones. The process proceeds by addition of the rhodium-stabilized carbenoid onto the acetylenic π-bond to give a vinyl carbenoid intermediate. The resulting rhodium complex undergoes a wide assortment of reactions including cyclopropanation, 1,2-hydrogen migration, CH-insertion, addition to tethered alkynes and ylide formation. When 2-alkynyl-2-diazo-3-oxobutanoates were treated with a Rh(II-catalyst, furo[3,4-c]furans were formed in excellent yield.

  12. High-Performance Black Multicrystalline Silicon Solar Cells by a Highly Simplified Metal-Catalyzed Chemical Etching Method

    KAUST Repository

    Ying, Zhiqin

    2016-05-20

    A wet-chemical surface texturing technique, including a two-step metal-catalyzed chemical etching (MCCE) and an extra alkaline treatment, has been proven as an efficient way to fabricate high-efficiency black multicrystalline (mc) silicon solar cells, whereas it is limited by the production capacity and the cost cutting due to the complicated process. Here, we demonstrated that with careful control of the composition in etching solution, low-aspect-ratio bowl-like nanostructures with atomically smooth surfaces could be directly achieved by improved one-step MCCE and with no posttreatment, like alkali solution. The doublet surface texture of implementing this nanobowl structure upon the industrialized acidic-textured surface showed concurrent improvement in optical and electrical properties for realizing 18.23% efficiency mc-Si solar cells (156 mm × 156 mm), which is sufficiently higher than 17.7% of the solely acidic-textured cells in the same batch. The one-step MCCE method demonstrated in this study may provide a cost-effective way to manufacture high-performance mc-Si solar cells for the present photovoltaic industry. © 2016 IEEE.

  13. Metal-Catalyzed Intra- and Intermolecular Addition of Carboxylic Acids to Alkynes in Aqueous Media: A Review

    Directory of Open Access Journals (Sweden)

    Javier Francos

    2017-11-01

    Full Text Available The metal-catalyzed addition of carboxylic acids to alkynes is a very effective tool for the synthesis of carboxylate-functionalized olefinic compounds in an atom-economical manner. Thus, a large variety of synthetically useful lactones and enol-esters can be accessed through the intra- or intermolecular versions of this process. In order to reduce the environmental impact of these reactions, considerable efforts have been devoted in recent years to the development of catalytic systems able to operate in aqueous media, which represent a real challenge taking into account the tendency of alkynes to undergo hydration in the presence of transition metals. Despite this, different Pd, Pt, Au, Cu and Ru catalysts capable of promoting the intra- and intermolecular addition of carboxylic acids to alkynes in a selective manner in aqueous environments have appeared in the literature. In this review article, an overview of this chemistry is provided. The synthesis of β-oxo esters by catalytic addition of carboxylic acids to terminal propargylic alcohols in water is also discussed.

  14. Plasma-deposited a-C(N) H films

    CERN Document Server

    Franceschini, D E

    2000-01-01

    The growth behaviour, film structure and mechanical properties of plasma-deposited amorphous hydrogenated carbon-nitrogen films are shortly reviewed. The effect of nitrogen-containing gas addition to the deposition to the hydrocarbon atmospheres used is discussed, considering the modifications observed in the chemical composition growth kinetics, carbon atom hybridisation and chemical bonding arrangements of a-C(N):H films. The overall structure behaviour is correlated to the variation of the mechanical properties.

  15. Forging Unsupported Metal-Boryl Bonds with Icosahedral Carboranes.

    Science.gov (United States)

    Saleh, Liban M A; Dziedzic, Rafal M; Khan, Saeed I; Spokoyny, Alexander M

    2016-06-13

    In contrast to the plethora of metal-catalyzed cross-coupling methods available for the installation of functional groups on aromatic hydrocarbons, a comparable variety of methods are currently not available for icosahedral carboranes, which are boron-rich three-dimensional aromatic analogues of aryl groups. Part of this is due to the limited understanding of the elementary steps for cross-coupling involving carboranes. Here, we report our efforts in isolating metal-boryl complexes to further our understanding of one of these elementary steps, oxidative addition. Structurally characterized examples of group 10 M-B bonds featuring icosahedral carboranes are completely unknown. Use of mercurocarboranes as a reagent to deliver M-B bonds saw divergent reactivity for platinum and palladium, with a Pt-B bond being isolated for the former, and a rare Pd-Hg bond being formed for the latter. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Transition metal-catalyzed carbocyclization of nitrogen and oxygen-tethered 1,n-enynes and diynes: synthesis of five or six-membered heterocyclic compounds.

    Science.gov (United States)

    Zhang, Di-Han; Zhang, Zhen; Shi, Min

    2012-10-25

    Cycloisomerization of 1,n-enynes and diynes is a powerful method in organic synthesis to access heterocyclic compounds and has drawn increasing attention from organic chemists. In this paper, we attempted to summarize our recent results on the transition metal-catalyzed cycloisomerization to synthesize five or six-membered heterocyclic compounds using 1,n-enynes and diynes having a propargylic ester moiety. First, we will describe the synthesis of 2,3-disubstituted 3-pyrrolines via gold catalyzed cycloisomerization of 1,6-diynes. In addition, we will also disclose a novel silver catalyzed tandem 1,3-acyloxy migration/Mannich-type addition/elimination of the sulfonyl group of N-sulfonylhydrazone-propargylic esters to 5,6-dihydropyridazin-4-one derivatives. Furthermore, we will introduce three interesting examples of the synthesis of bicyclic compounds via titanium or rhodium catalyzed carbocyclization of enynes. In this context, we have presented that 1,n-enynes and diynes containing propargylic esters are highly reactive and useful starting materials for the cycloisomerization catalyzed by a transition metal catalyst.

  17. Preparation and characterization of B-C-N hybrid thin films

    International Nuclear Information System (INIS)

    Uddin, Md. Nizam; Shimoyama, Iwao; Sekiguchi, Tetsuhiro; Baba, Yuji; Nath, Krishna G.; Nagano, Masamitsu

    2006-06-01

    Two dimensional thin films composed of boron, carbon and nitrogen (B-C-N hybrid) were synthesized by ion beam deposition, and their electronic and geometrical structures were characterized by core-level spectroscopy using synchrotron radiation. B-C-N hybrid thin films were grown from ion beam plasma of borazine on highly oriented pyrolitic graphite (HOPG) at various temperatures. The films were characterized in-situ by X-ray photoelectron spectroscopy (XPS) and near edge X-ray absorption fine structure (NEXAFS). XPS study suggested that B, N and C atoms in the deposited films were in a wide variety of chemical bonds e.g., B-C, B-N, N-C, and B-C-N. It was found that B-C-N hybrid formation was enhanced at high temperature, and that the B-C-N component was dominantly synthesized at low boron content. In the NEXAFS spectra, the resonance peaks from B 1s to unoccupied π * -like orbitals were clearly observed. The polarization dependence of the B 1s → π * resonance peaks confirmed that the highly oriented graphite-like B-C-N hybrids surely exist at low boron content. (author)

  18. Effects of extrinsic point defects in phosphorene: B, C, N, O and F Adatoms

    OpenAIRE

    Wang, Gaoxue; Pandey, Ravindra; Karna, Shashi P.

    2015-01-01

    Phosphorene is emerging as a promising 2D semiconducting material with a direct band gap and high carrier mobility. In this paper, we examine the role of the extrinsic point defects including surface adatoms in modifying the electronic properties of phosphorene using density functional theory. The surface adatoms considered are B, C, N, O and F with a [He] core electronic configuration. Our calculations show that B and C, with electronegativity close to P, prefer to break the sp3 bonds of pho...

  19. Merging Visible Light Photoredox Catalysis with Metal Catalyzed C–H Activations: On the Role of Oxygen and Superoxide Ions as Oxidants

    KAUST Repository

    Fabry, David C.

    2016-08-24

    ConspectusThe development of efficient catalytic systems for direct aromatic C-H bond functionalization is a long-desired goal of chemists, because these protocols provide environmental friendly and waste-reducing alternatives to classical methodologies for C-C and C-heteroatom bond formation. A key challenge for these transformations is the reoxidation of the in situ generated metal hydride or low-valent metal complexes of the primary catalytic bond forming cycle. To complete the catalytic cycle and to regenerate the C-H activation catalyst, (super)stoichiometric amounts of Cu(II) or Ag(I) salts have often been applied. Recently,

  20. Merging Visible Light Photoredox Catalysis with Metal Catalyzed C–H Activations: On the Role of Oxygen and Superoxide Ions as Oxidants

    KAUST Repository

    Fabry, David C.; Rueping, Magnus

    2016-01-01

    ConspectusThe development of efficient catalytic systems for direct aromatic C-H bond functionalization is a long-desired goal of chemists, because these protocols provide environmental friendly and waste-reducing alternatives to classical methodologies for C-C and C-heteroatom bond formation. A key challenge for these transformations is the reoxidation of the in situ generated metal hydride or low-valent metal complexes of the primary catalytic bond forming cycle. To complete the catalytic cycle and to regenerate the C-H activation catalyst, (super)stoichiometric amounts of Cu(II) or Ag(I) salts have often been applied. Recently,

  1. Interaction between fullerene halves C_n (n ≤ 40) and single wall carbon nanotube

    International Nuclear Information System (INIS)

    Sharma, Amrish; Kaur, Sandeep; Mudahar, Isha

    2016-01-01

    We have investigated the structural and electronic properties of carbon nanotube with small fullerene halves C_n (n ≤ 40) which are covalently bonded to the side wall of an armchair single wall carbon nanotube (SWCNT) using first principle method based on density functional theory. The fullerene size results in weak bonding between fullerene halves and carbon nanotube (CNT). Further, it was found that the C-C bond distance that attaches the fullerene half and CNT is of the order of 1.60 Å. The calculated binding energies indicate the stability of the complexes formed. The HOMO-LUMO gaps and electron density of state plots points towards the metallicity of the complex formed. Our calculations on charge transfer reveal that very small amount of charge is transferred from CNT to fullerene halves.

  2. Mechanistic studies related to the metal catalyzed reduction of carbon monoxide to hydrocarbons. Final report, April 1, 1977-June 30, 1985

    International Nuclear Information System (INIS)

    Casey, C.P.

    1985-02-01

    Studies of compounds related to proposed intermediates in the hydrogenation of carbon monoxide over homogeneous and heterogeneous catalysts have been carried out. The synthesis, structure, and reactions of metal formyl compounds have been investigated. The synthesis and desproportionation reactions of hydroxymethyl metal compounds have been explored. Reactions involving interconversion of n 5 - and n'-C 5 H 5 organometallic compounds have been discovered. New synthetic routes to bimetallic compounds with bridging hydrocarbon ligands have been developed. The first bimetallic compound with a budging CH ligand has been prepared. The hydrocarbation reaction in which the CH bond of a bridging methylidyne complex adds across a carbon-carbon double bond has been discovered. New heterobimetallic compounds linked by a heterodifunctional ligand and heterobimetallic compounds with directly bonded early and late transition metals have been synthesized in a search for new CO hydrogenation catalysts. 36 refs

  3. The chemical composition and band gap of amorphous Si:C:N:H layers

    Energy Technology Data Exchange (ETDEWEB)

    Swatowska, Barbara, E-mail: swatow@agh.edu.pl [AGH University of Science and Technology, Department of Electronics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Kluska, Stanislawa; Jurzecka-Szymacha, Maria [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Stapinski, Tomasz [AGH University of Science and Technology, Department of Electronics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Tkacz-Smiech, Katarzyna [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Av. 30, 30-059 Krakow (Poland)

    2016-05-15

    Highlights: • Six type of amorphous hydrogenated films were obtained and analysed. • Investigated chemical bondings strongly influenced energy gap values. • Analysed layers could be applied as semiconductors and also as dielectrics. - Abstract: In this work we presented the correlation between the chemical composition of amorphous Si:C:N:H layers of various content of silicon, carbon and nitrogen, and their band gap. The series of amorphous Si:C:N:H layers were obtained by plasma assisted chemical vapour deposition method in which plasma was generated by RF (13.56 MHz, 300 W) and MW (2.45 GHz, 2 kW) onto monocrystalline silicon Si(001) and borosilicate glass. Structural studies were based on FTIR transmission spectrum registered within wavenumbers 400–4000 cm{sup −1}. The presence of Si−C, Si−N, C−N, C=N, C=C, C≡N, Si−H and C−H bonds was shown. The values band gap of the layers have been determined from spectrophotometric and ellipsometric measurements. The respective values are contained in the range between 1.64 eV – characteristic for typical semiconductor and 4.21 eV – for good dielectric, depending on the chemical composition and atomic structure of the layers.

  4. Modification of Purine and Pyrimidine Nucleosides by Direct C-H Bond Activation

    Directory of Open Access Journals (Sweden)

    Yong Liang

    2015-03-01

    Full Text Available Transition metal-catalyzed modifications of the activated heterocyclic bases of nucleosides as well as DNA or RNA fragments employing traditional cross-coupling methods have been well-established in nucleic acid chemistry. This review covers advances in the area of cross-coupling reactions in which nucleosides are functionalized via direct activation of the C8-H bond in purine and the C5-H or C6-H bond in uracil bases. The review focuses on Pd/Cu-catalyzed couplings between unactivated nucleoside bases with aryl halides. It also discusses cross-dehydrogenative arylations and alkenylations as well as other reactions used for modification of nucleoside bases that avoid the use of organometallic precursors and involve direct C-H bond activation in at least one substrate. The scope and efficiency of these coupling reactions along with some mechanistic considerations are discussed.

  5. Applications of Palladium-Catalyzed C-N Cross-Coupling Reactions.

    Science.gov (United States)

    Ruiz-Castillo, Paula; Buchwald, Stephen L

    2016-10-12

    Pd-catalyzed cross-coupling reactions that form C-N bonds have become useful methods to synthesize anilines and aniline derivatives, an important class of compounds throughout chemical research. A key factor in the widespread adoption of these methods has been the continued development of reliable and versatile catalysts that function under operationally simple, user-friendly conditions. This review provides an overview of Pd-catalyzed N-arylation reactions found in both basic and applied chemical research from 2008 to the present. Selected examples of C-N cross-coupling reactions between nine classes of nitrogen-based coupling partners and (pseudo)aryl halides are described for the synthesis of heterocycles, medicinally relevant compounds, natural products, organic materials, and catalysts.

  6. properties of Cr(C,N) hard coatings deposited in Ar-C2H2-N2 plasma

    International Nuclear Information System (INIS)

    Macek, M.; Cekada, M.; Kek, D.; Panjan, P.

    2002-01-01

    Mechanical properties, microstructure and the average chemical composition of Cr(C,N) hard coatings deposited in Ar-C 2 H 2 -N 2 plasma strongly depends on the partial pressure of the reactive gases (N 2 , C 2 H 2 ) and on the type of the deposition equipment. In this study we report on the properties of Cr(C,N) hard coatings deposited by means of the triode ion plating in the BAI 730 apparatus and those prepared by sputter deposition in Balzers Sputron in the pressure range from 0.12 Pa (pure Ar) up to 0.35 Pa with different ratios (0-100%) between C 2 H 2 and N 2 . At first mechanical properties (microhardness and adhesion) of coatings were analyzed on the common way. Internal stress was measured by the radius of substrate curvature. Chemical composition of coatings was analyzed by means of AES while the Raman and XPS spectroscopy was used to determined the nature of carbon bonding in the Cr(C,N) films. Microstructure was determined by XRD as well as by means of TEM and TED. Chemical state of various elements in the coating has been studied by XPS. The ratio of the carbide bond (C-Cr) against the C-C and C-H bonds was calculated. The existence of the graphite phase in some Cr(C,N) coatings was confirmed by Raman spectroscopy. (Authors)

  7. Synthesis of [methyl-[sup 14]C]-N-methylputrescine

    Energy Technology Data Exchange (ETDEWEB)

    Secor, H.V.; Izac, R.R.; Hassam, S.B.; Frisch, A.F. (Philip Morris Research Center, Richmond, VA (United States))

    1994-05-01

    [Methyl-[sup 14]C]-N-methylputrescine was prepared from [[sup 14]C]methylamine hydrochloride in five steps. Reaction of benzaldehyde and [[sup 14]C]methylamine (10 mCi) followed by catalytic hydrogenation yielded [methyl-[sup 14]C]-N-methylbenzylamine. The key step in this process is the alkylation of [methyl-[sup 14]C]-N-methylbenzylamine in aqueous medium with 4-bromobutyronitrile. The radiochemical purity of the final product after two successive catalytic hydrogenations was in excess of 97%. The radiochemical yields in two successive runs were 26 and 38%, based on starting [[sup 14]C]methylamine, with specific activities of 22 and 23 mCi/mmol, respectively. This sequence provides a convenient and efficient regioselective radiosynthesis of [methyl-[sup 14]C]-N-methylputrescine. (author).

  8. Synthesis of nanostructured multiphase Ti(C,N)/a-C films by a plasma focus device

    International Nuclear Information System (INIS)

    Ghareshabani, E.; Rawat, R.S.; Sobhanian, S.; Verma, R.; Karamat, S.; Pan, Z.Y.

    2010-01-01

    Nanostructured multiphase Ti(C,N)/a-C films were deposited using a 3.3 kJ pulsed plasma focus device onto silicon (1 0 0) substrates at room temperature. The plasma focus device, fitted with solid titanium anode instead of usual hollow copper anode, was operated with nitrogen and Ar/CH 4 as the filling gas. Films were deposited with different number of shots, at 80 mm from top of the anode and at zero angular position with respect to anode axis. X-ray diffraction results show the diffraction peaks related to different compounds such as TiC 2 , TiN, Ti 2 CN, Ti and TiC 0.62 confirming the deposition of multiphase titanium carbo-nitride composite films on silicon. X-ray photoelectron spectroscopy confirms the formation of Ti-C, C-N, Ti-N, Ti-O and C-C bonds in the films. Scanning electron microscopy reveals that the nanostructure grains are agglomerates of smaller nanoparticles about 10-20 nm in size. Raman studies verify the formation of multiphase Ti(C,N) and also of amorphous graphite in the films. The maximum microhardness value of the composite film is 14.8 ± 1.3 GPa for 30 shots.

  9. Effects of extrinsic point defects in phosphorene: B, C, N, O, and F adatoms

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Gaoxue, E-mail: gaoxuew@mtu.edu, E-mail: pandey@mtu.edu, E-mail: shashi.p.karna.civ@mail.mil; Pandey, Ravindra, E-mail: gaoxuew@mtu.edu, E-mail: pandey@mtu.edu, E-mail: shashi.p.karna.civ@mail.mil [Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States); Karna, Shashi P., E-mail: gaoxuew@mtu.edu, E-mail: pandey@mtu.edu, E-mail: shashi.p.karna.civ@mail.mil [U.S. Army Research Laboratory, Weapons and Materials Research Directorate, ATTN: RDRL-WM, Aberdeen Proving Ground, Maryland 21005-5069 (United States)

    2015-04-27

    Phosphorene is emerging as a promising 2D semiconducting material with a direct band gap and high carrier mobility. In this paper, we examine the role of the extrinsic point defects including surface adatoms in modifying the electronic properties of phosphorene using density functional theory. The surface adatoms considered are B, C, N, O, and F with a [He] core electronic configuration. Our calculations show that B and C, with electronegativity close to P, prefer to break the sp{sup 3} bonds of phosphorene and reside at the interstitial sites in the 2D lattice by forming sp{sup 2} like bonds with the native atoms. On the other hand, N, O, and F, which are more electronegative than P, prefer the surface sites by attracting the lone pairs of phosphorene. B, N, and F adsorption will also introduce local magnetic moment to the lattice. Moreover, B, C, N, and F adatoms will modify the band gap of phosphorene, yielding metallic transverse tunneling characters. Oxygen does not modify the band gap of phosphorene, and a diode like tunneling behavior is observed. Our results therefore offer a possible route to tailor the electronic and magnetic properties of phosphorene by the adatom functionalization and provide the physical insights of the environmental sensitivity of phosphorene, which will be helpful to experimentalists in evaluating the performance and aging effects of phosphorene-based electronic devices.

  10. Bond Issues.

    Science.gov (United States)

    Pollack, Rachel H.

    2000-01-01

    Notes trends toward increased borrowing by colleges and universities and offers guidelines for institutions that are considering issuing bonds to raise money for capital projects. Discussion covers advantages of using bond financing, how use of bonds impacts on traditional fund raising, other cautions and concerns, and some troubling aspects of…

  11. Structural basis for hyperactivity of cN-II mutants

    Czech Academy of Sciences Publication Activity Database

    Hnízda, Aleš; Škerlová, Jana; Šinalová, Martina; Pachl, Petr; Man, Petr; Novák, Petr; Fábry, Milan; Řezáčová, Pavlína; Veverka, Václav

    2015-01-01

    Roč. 22, č. 1 (2015), s. 4 ISSN 1211-5894. [Discussions in Structural Molecular Biology. Annual Meeting of the Czech Society for Structural Biology /13./. 19.03.2015-21.03.2015, Nové Hrady] Institutional support: RVO:61388963 ; RVO:68378050 ; RVO:61388971 Keywords : cN-II mutants * enzyme hyperactivity Subject RIV: CE - Biochemistry

  12. Preparation of bulk superhard B-C-N nanocomposite compact

    Science.gov (United States)

    Zhao, Yusheng [Los Alamos, NM; He, Duanwei [Sichuan, CN

    2011-05-10

    Bulk, superhard, B--C--N nanocomposite compacts were prepared by ball milling a mixture of graphite and hexagonal boron nitride, encapsulating the ball-milled mixture at a pressure in a range of from about 15 GPa to about 25 GPa, and sintering the pressurized encapsulated ball-milled mixture at a temperature in a range of from about 1800-2500 K. The product bulk, superhard, nanocomposite compacts were well sintered compacts with nanocrystalline grains of at least one high-pressure phase of B--C--N surrounded by amorphous diamond-like carbon grain boundaries. The bulk compacts had a measured Vicker's hardness in a range of from about 41 GPa to about 68 GPa.

  13. Parental Bonding

    Directory of Open Access Journals (Sweden)

    T. Paul de Cock

    2014-08-01

    Full Text Available Estimating the early parent–child bonding relationship can be valuable in research and practice. Retrospective dimensional measures of parental bonding provide a means for assessing the experience of the early parent–child relationship. However, combinations of dimensional scores may provide information that is not readily captured with a dimensional approach. This study was designed to assess the presence of homogeneous groups in the population with similar profiles on parental bonding dimensions. Using a short version of the Parental Bonding Instrument (PBI, three parental bonding dimensions (care, authoritarianism, and overprotection were used to assess the presence of unobserved groups in the population using latent profile analysis. The class solutions were regressed on 23 covariates (demographics, parental psychopathology, loss events, and childhood contextual factors to assess the validity of the class solution. The results indicated four distinct profiles of parental bonding for fathers as well as mothers. Parental bonding profiles were significantly associated with a broad range of covariates. This person-centered approach to parental bonding has broad utility in future research which takes into account the effect of parent–child bonding, especially with regard to “affectionless control” style parenting.

  14. Structure of small TiC n clusters: A theoretical study

    International Nuclear Information System (INIS)

    Largo, Laura; Cimas, Alvaro; Redondo, Pilar; Rayon, Victor M.; Barrientos, Carmen

    2006-01-01

    A theoretical study of the TiC n (n = 1-8) clusters has been carried out at the B3LYP/6-311+G(d) level. Molecular properties for three different isomers, namely linear, cyclic, and fan species, have been determined. The fan isomers, where the titanium atom is essentially side-bonded to the entire C n unit, are predicted to be more stable than both linear and cyclic isomers. Only for the largest studied species, TiC 8 , the cyclic isomer is located lower in energy. An even-odd parity effect in the incremental binding energies is observed for the three isomers, n-even species being in general more stable for linear and fan isomers, whereas for the cyclic species n-odd clusters are favoured. A topological analysis of the electronic charge density shows that all cyclic isomers correspond to true monocyclic rings, whereas for the fan species a variety of different connectivities has been observed

  15. Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR)

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Justine P. [Johns Hopkins Univ., Baltimore, MD (United States)

    2015-03-03

    Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR) Research during the project period focused primarily on mechanisms of water oxidation by structurally defined transition metal complexes. Competitive oxygen isotope fractionation of water, mediated by oxidized precursors or reduced catalysts together with ceric, Ce(IV), ammonium nitrate in aqueous media, afforded oxygen-18 kinetic isotope effects (O-18 KIEs). Measurement, calculation, and interpretation of O-18 KIEs, described in the accompanying report has important ramifications for the production of electricity and solar hydrogen (as fuel). The catalysis division of BES has acknowledged that understanding mechanisms of transition metal catalyzed water oxidation has major ramifications, potentially leading to transformation of the global economy and natural environment in years to come. Yet, because of program restructuring and decreased availability of funds, it was recommended that the Solar Photochemistry sub-division of BES would be a more appropriate parent program for support of continued research.

  16. The synthesis of 2-14C-N-nitrosothiazolidine

    International Nuclear Information System (INIS)

    Cragin, D.W.; Shibamoto, Takayuki

    1989-01-01

    2- 14 C-N-Nitrosothiazolidine was synthesized with a chemical purity of 99.6%, a radio chemical purity of 99.4%, and an overall yield of 30.7%. Unlabelled N-nitrosothiazolidine, synthesized using the same method, resulted in a purity of 99.85% by capillary GC and 99.7% by HPLC. Analysis of N-nitrosothiazolidine by GC was found to require a low injection port temperature of 160 0 C to prevent denitrosation in the injection port. During the nitrosation of thiazolidine, if the pH was reduced below 4 with hydrochloric acid, ring hydrolysis occurred, and chlorinated disulfide compounds formed. (author)

  17. Tribological Properties of PVD Ti/C-N Nanocoatnigs

    Science.gov (United States)

    Leitans, A.; Lungevics, J.; Rudzitis, J.; Filipovs, A.

    2017-04-01

    The present paper discusses and analyses tribological properties of various coatings that increase surface wear resistance. Four Ti/C-N nanocoatings with different coating deposition settings are analysed. Tribological and metrological tests on the samples are performed: 2D and 3D parameters of the surface roughness are measured with modern profilometer, and friction coefficient is measured with CSM Instruments equipment. Roughness parameters Ra, Sa, Sz, Str, Sds, Vmp, Vmc and friction coefficient at 6N load are determined during the experiment. The examined samples have many pores, which is the main reason for relatively large values of roughness parameter. A slight wear is identified in all four samples as well; its friction coefficient values range from 0,.21 to 0.29. Wear rate values are not calculated for the investigated coatings, as no expressed tribotracks are detected on the coating surface.

  18. Preparation and sintering of Zr(C,N,O) phases

    International Nuclear Information System (INIS)

    Tamborenea, S.; Mazzoni, A.D.; Aglietti, E.F.

    2003-01-01

    The Zr(C,O,N) compounds form a great mono-phase zone belonging to the pseudoternary ZrO-ZrN-ZrC system.Theses phases have cubic crystalline structure with a o parameter depending on the C, O 2 and N 2 content.These phases have many potential applications in the manufacture of ceramic pieces utilizable as electronic conductors.The Zr (C,O,N) phases can be obtained from ZrO 2 by carbonitriding reactions: that is carbothermal reduction and simultaneous nitriding.In this work a series of experiences of carbonitriding of zirconia under different conditions (temperatures between 1400 and 1600degC, times of 120 min, carbon content between 20 and 40%) in order to obtain suitable powders to be sintered.The XRD analysis shows the Zr(C,O,N) as the main products and β -ZrON as the only secondary product in proportions depending on the obtaining conditions.The variables employed were the C content and the reaction temperature.The Zr(C,O,N) content varies between 40 and 90% and tends to increase with the temperature and the carbon content whereas the β -ZrON phase varies between the 40 and 10 % decreasing its proportion with temperature and the carbon content.The oxidation resistance of these phases was studied by DTA-TG tests in air.Results show complete oxidation reaction at ∼500degC in air.The sintering of these materials was made on disks obtained by pressing of powders of Zr(C,N,O) contents higher than 90%.Sintering was performed in nitrogen atmosphere and temperatures between 1450 and 1620degC.Disks were characterized by pycnometry and Hg volumeter.The densities obtained were between 5 and 6,6g/cm 3 with a tendency to increase with the Zr(C,N,O) phase content, the temperature and the sintering time.Sintered disks were characterized by dilatometry in N 2

  19. Bonds Boom.

    Science.gov (United States)

    Reynolds, Cathryn

    1989-01-01

    The combined effect of the "Serrano" decision and Proposition 13 left California school districts with aging, overcrowded facilities. Chico schools won a $18.5 million general obligation bond election for facilities construction. With $11 billion needed for new school construction, California will need to tap local sources. A sidebar…

  20. Searching for stable Si(n)C(n) clusters: combination of stochastic potential surface search and pseudopotential plane-wave Car-Parinello simulated annealing simulations.

    Science.gov (United States)

    Duan, Xiaofeng F; Burggraf, Larry W; Huang, Lingyu

    2013-07-22

    To find low energy Si(n)C(n) structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA). We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to more than a thousand stable isomers for each Si(n)C(n) cluster. Among these, five to 10 of the lowest energy isomers were further optimized using B3LYP/cc-pVTZ method. We applied this method to Si(n)C(n) (n = 4-12) clusters and found the lowest energy structures, most not previously reported. By analyzing the bonding patterns of low energy structures of each Si(n)C(n) cluster, we observed that carbon segregations tend to form condensed conjugated rings while Si connects to unsaturated bonds at the periphery of the carbon segregation as single atoms or clusters when n is small and when n is large a silicon network spans over the carbon segregation region.

  1. Diffusion bonding

    International Nuclear Information System (INIS)

    Anderson, R.C.

    1976-01-01

    A method is described for joining beryllium to beryllium by diffusion bonding. At least one surface portion of at least two beryllium pieces is coated with nickel. A coated surface portion is positioned in a contiguous relationship with another surface portion and subjected to an environment having an atmosphere at a pressure lower than ambient pressure. A force is applied on the beryllium pieces for causing the contiguous surface portions to abut against each other. The contiguous surface portions are heated to a maximum temperature less than the melting temperature of the beryllium, and the applied force is decreased while increasing the temperature after attaining a temperature substantially above room temperature. A portion of the applied force is maintained at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions

  2. Gold-Catalyzed Formal C-C Bond Insertion Reaction of 2-Aryl-2-diazoesters with 1,3-Diketones.

    Science.gov (United States)

    Ren, Yuan-Yuan; Chen, Mo; Li, Ke; Zhu, Shou-Fei

    2018-06-29

    The transition-metal-catalyzed formal C-C bond insertion reaction of diazo compounds with monocarbonyl compounds is well established, but the related reaction of 1,3-diketones instead gives C-H bond insertion products. Herein, we report a protocol for a gold-catalyzed formal C-C bond insertion reaction of 2-aryl-2-diazoesters with 1,3-diketones, which provides efficient access to polycarbonyl compounds with an all-carbon quaternary center. The aryl ester moiety plays a crucial role in the unusual chemoselectivity, and the addition of a Brønsted acid to the reaction mixture improves the yield of the C-C bond insertion product. A reaction mechanism involving cyclopropanation of a gold carbenoid with an enolate and ring-opening of the resulting donor-acceptor-type cyclopropane intermediate is proposed. This mechanism differs from that of the traditional Lewis-acid-catalyzed C-C bond insertion reaction of diazo compounds with monocarbonyl compounds, which involves a rearrangement of a zwitterion intermediate as a key step. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. A New Design of In Situ Ti(C,N) Reinforced Composite Coatings and Their Microstructures, Interfaces, and Wear Resistances.

    Science.gov (United States)

    Wang, Mingliang; Cui, Hongzhi; Wei, Na; Ding, Lei; Zhang, Xinjie; Zhao, Yong; Wang, Canming; Song, Qiang

    2018-01-31

    Here, a unique combination of a novel carbon-nitrogen source (g-C 3 N 4 ) with different mole ratios of Ti/g-C 3 N 4 has been utilized to fabricate iron matrix composite coatings by a synchronized powder feeding plasma transferred arc (PTA) cladding technology. The results show that submicron Ti(C,N) particles are successfully fabricated in situ on a Q235 low carbon steel substrate to reinforce the iron matrix composite coatings and exhibit dense microstructures and good metallurgical bonding between the coating and the substrate. The microstructure of the coating consists of an α-Fe matrix and Ti(C,N) particles when the mole ratio of Ti/g-C 3 N 4 is no more than 5:1. The microhardness and wear resistance of the coating gradually improve with increasing abundance of the in-situ-synthesized Ti(C,N) particles. Interestingly, for a Ti/g-C 3 N 4 mole ratio of 6:1, a fine lamellar eutectic Laves phase (Fe 2 Ti) appears, and this phase further improves the microhardness and wear resistance of the coating. The microhardness of the coating is 3.5 times greater than that of the Q235 substrate, and the wear resistance is enhanced 7.66 times over that of the substrate. The Ti(C,N)/Fe 2 Ti and Fe 2 Ti/α-Fe interfaces are very clean, and the crystallographic orientation relationships between the phases are analyzed by high-resolution transmission electron microscopy (HRTEM) and an edge-to-edge matching model. The theoretical predictions and the experimental results are in good agreement. Furthermore, based on the present study, for the solidification process near equilibrium, smaller interatomic spacing misfits and interplanar spacing d-value mismatches contribute to the formation of crystallographic orientation relationships between phases during the PTA cladding process. The existence of orientation relationships is beneficial for improving the properties of the coatings. This work not only expands the application fields of g-C 3 N 4 but also provides a new idea for the

  4. Tree species is the major factor explaining C:N ratios in European forest soils

    DEFF Research Database (Denmark)

    Cools, Nathalie; Vesterdal, Lars; De Vos, Bruno

    2014-01-01

    The C:N ratio is considered as an indicator of nitrate leaching in response to high atmospheric nitrogen (N) deposition. However, the C:N ratio is influenced by a multitude of other site-related factors. This study aimed to unravel the factors determining C:N ratios of forest floor, mineral soil...... mineral soil layers it was the humus type. Deposition and climatic variables were of minor importance at the European scale. Further analysis for eight main forest tree species individually, showed that the influence of environmental variables on C:N ratios was tree species dependent. For Aleppo pine...... and peat top soils in more than 4000 plots of the ICP Forests large-scale monitoring network. The first objective was to quantify forest floor, mineral and peat soil C:N ratios across European forests. Secondly we determined the main factors explaining this C:N ratio using a boosted regression tree...

  5. Organomolybdenum (VI) and lithium Organomolybdate (VI) and (V) Complexes with C,N-Chelating Aminoaryl Ligands

    NARCIS (Netherlands)

    Koten, G. van; Brandts, J.A.M.; Leur, M. de; Gossage, R.A.; Spek, A.L.

    1999-01-01

    The synthesis and characterization of new, five-coordinate molybdenum bis(imidoaryl) complexes [Mo(NAr)2(C-N)X] (Ar = C6H3i-Pr2-2,6; C-N = [C6H4(CH2NMe2)-2]-; X = Cl (1), Me (2), Et (3), Bu (4), CH2SiMe3 (5), (p-tolyl) (6), (C-N) (7)) is reported. The solid-state structure of 2 has been elucidated

  6. Bond strength of masonry

    NARCIS (Netherlands)

    Pluijm, van der R.; Vermeltfoort, A.Th.

    1992-01-01

    Bond strength is not a well defined property of masonry. Normally three types of bond strength can be distinguished: - tensile bond strength, - shear (and torsional) bond strength, - flexural bond strength. In this contribution the behaviour and strength of masonry in deformation controlled uniaxial

  7. Near-surface microstructural modification of (Ti,W)(C,N)-based compacts with nitrogen

    International Nuclear Information System (INIS)

    Ucakar, V.; Kral, C.; Lengauer, W.

    2001-01-01

    For developing of functional-gradient hardmetals the interaction of nitrogen with (Ti,W)(C,N)-based compacts was investigated. Hot-pressed (Ti,W)(C,N) compacts as well as sintered compacts of (Ti,W)(C,N)+Co were subjected to sintering and heat treatment at 1200-1500 o C and up to 30 bar N 2 . In (Ti,W)(C,N) compacts four microstructure types were obtained upon reaction with nitrogen. A uniform single-phase (Ti,W)(C,N) forms in samples with a low WC and high TiN content. If medium WC and high TiN/TiC ratio is present a core-rim type structure forms during Ar annealing which remains the same when nitrogen in-diffusion occurs. The third type of microstructure shows sub-micron lamellae of nitrogen-rich fcc phase and WC. This structure forms at increased WC and/or TiC content. If the WC content is increased again a WC layer forms at the outermost surface. Compressive stresses introduced by phase formation/decomposition were obtained for the nitrogen in-diffusion. Sintered (Ti,W)(C,N)+Co compacts were heat treated above and below the eutectic temperature. Above the eutectic temperature compact Ti(C,N) top-layers independent an sample composition were observed. Below the eutectic temperature the microstructure formation is mainly influenced by the sample composition. A Ti(C,N) top-layer forms in materials with a high Ti(C,N) content. Contrary, interaction zones without a layer were obtained in compacts with high WC/Ti(C,N) ratio. Some of these surface modified compacts show surfaces and particle sizes favorable for a cutting tool. (author)

  8. Palladium-catalyzed Suzuki-Miyaura coupling of amides by carbon-nitrogen cleavage: general strategy for amide N-C bond activation.

    Science.gov (United States)

    Meng, Guangrong; Szostak, Michal

    2016-06-15

    The first palladium-catalyzed Suzuki-Miyaura cross-coupling of amides with boronic acids for the synthesis of ketones by sterically-controlled N-C bond activation is reported. The transformation is characterized by operational simplicity using bench-stable, commercial reagents and catalysts, and a broad substrate scope, including substrates with electron-donating and withdrawing groups on both coupling partners, steric-hindrance, heterocycles, halides, esters and ketones. The scope and limitations are presented in the synthesis of >60 functionalized ketones. Mechanistic studies provide insight into the catalytic cycle of the cross-coupling, including the first experimental evidence for Pd insertion into the amide N-C bond. The synthetic utility is showcased by a gram-scale cross-coupling and cross-coupling at room temperature. Most importantly, this process provides a blueprint for the development of a plethora of metal catalyzed reactions of typically inert amide bonds via acyl-metal intermediates. A unified strategy for amide bond activation to enable metal insertion into N-C amide bond is outlined ().

  9. Understanding Bonds - Denmark

    DEFF Research Database (Denmark)

    Rimmer, Nina Røhr

    2016-01-01

    Undervisningsmateriale. A bond is a debt security, similar to an ”I Owe You document” (IOU). When you purchase a bond, you are lending money to a government, municipality, corporation, federal agency or other entity known as the issuer. In return for the loan, the issuer promises to pay you...... a specified rate of interest during the life of the bond and to repay the face value of the bond (the principal) when it “matures,” or comes due. Among the types of bonds you can choose from are: Government securities, municipal bonds, corporate bonds, mortgage and asset-backed securities, federal agency...... securities and foreign government bonds....

  10. Wire bonding in microelectronics

    CERN Document Server

    Harman, George G

    2010-01-01

    Wire Bonding in Microelectronics, Third Edition, has been thoroughly revised to help you meet the challenges of today's small-scale and fine-pitch microelectronics. This authoritative guide covers every aspect of designing, manufacturing, and evaluating wire bonds engineered with cutting-edge techniques. In addition to gaining a full grasp of bonding technology, you'll learn how to create reliable bonds at exceedingly high yields, test wire bonds, solve common bonding problems, implement molecular cleaning methods, and much more. Coverage includes: Ultrasonic bonding systems and technologies, including high-frequency systems Bonding wire metallurgy and characteristics, including copper wire Wire bond testing Gold-aluminum intermetallic compounds and other interface reactions Gold and nickel-based bond pad plating materials and problems Cleaning to improve bondability and reliability Mechanical problems in wire bonding High-yield, fine-pitch, specialized-looping, soft-substrate, and extreme-temperature wire bo...

  11. Photoredox Generated Radicals in Csp2-Csp3 Bond Construction

    Science.gov (United States)

    Primer, David Neal

    The routine application of Csp3-hybridized nucleophiles in cross-coupling has been an ongoing pursuit in the agrochemical, pharmaceutical, and materials science industries for over 40 years. Unfortunately, despite numerous attempts to circumvent the problems associated with alkyl nucleophiles, application of these reagents in transition metal-catalyzed C-C bond-forming reactions has remained largely restricted. In recent years, many chemists have noted the lack of reliable, turnkey reactions that exist for the installation of Csp3-hybridized centers--reactions that would be useful for delivering molecules with enhanced three-dimensional topology and altered chemical properties. As such, a general method for alkyl nucleophile activation in cross-coupling would offer access to a host of compounds inaccessible by other means. From a mechanistic standpoint, the continued failure of alkylmetallics is inherent to the high energy intermediates associated with a traditional transmetalation. To overcome this problem, we have pioneered an alternate, single-electron pathway involving 1) initial oxidation of an alkylmetallic reagent, 2) oxidative alkyl radical capture at a metal center, and 3) subsequent reduction of the metal center to return its initial oxidation state. This series of steps constitutes a formal transmetalation that avoids the energy-demanding steps that plague a traditional anionic approach. Under this enabling paradigm, a host of alkyl precursors (alkyl-trifluoroborates and -silicates) have been generally used in cross-coupling for the first time. In summary, the synergistic use of an Ir photoredox catalyst and a Ni cross-coupling catalyst to mediate the cross-coupling of (hetero)aryl bromides with diverse alkyl radical precursors will be discussed. Methods for coupling various trifluoroborate classes (alpha-alkoxy, alpha-trifluoromethyl, secondary and tertiary alkyl) will be covered, focusing on their complementarity to traditional protocols. Finally, a

  12. Hydrolysis of Some C,N-Chelated Organotin(IV) Species Used in Catalysis

    OpenAIRE

    Švec, P.

    2012-01-01

    This work deals with the reactivity of the selected C, N-chelated organotin (IV) species towards cyclohexene oxide, ethylene carbonate, and CO2. Structure of organotin(IV) hydrolytic products isolated from respective reaction mixtures was described.

  13. [Hydrogen production and enzyme activity of acidophilic strain X-29 at different C/N ratio].

    Science.gov (United States)

    Li, Qiu-bo; Xing, De-feng; Ren, Nan-qi; Zhao, Li-hua; Song, Ye-ying

    2006-04-01

    Some fermentative bacteria can produce hydrogen by utilizing carbohydrate and other kinds of organic compounds as substrates. Hydrogen production was also determined by both the limiting of growth and related enzyme activity in energy metabolism. Carbon and nitrogen are needed for the growth and metabolism of microorganisms. In addition, the carbon/nitrogen (C/N) ratio can influence the material metabolized and the energy produced. In order to improve the hydrogen production efficiency of the bacteria, we analyzed the effect of different C/N ratios on hydrogen production and the related enzyme activities in the acidophilic strain X-29 using batch test. The results indicate that the differences in the metabolism level and enzyme activity are obvious at different C/N ratios. Although the difference in liquid fermentative products produced per unit of biomass is not obvious, hydrogen production is enhanced at a specifically determined ratio. At a C/N ratio of 14 the accumulative hydrogen yield of strain X-29 reaches the maximum, 2210.9 mL/g. At different C/N ratios, the expression of hydrogenase activity vary; the activity of hydrogenase decrease quickly after reaching a maximum along with the fermentation process, but the time of expression is short. The activity of alcohol dehydrogenase (ADH) tend to stabilize after reaching a peak along with the fermentation process, the difference in expression activity is little, and the expression period is long at different C/N ratios. At a C/N ratio of 14 hydrogenase and ADH reach the maximum 2.88 micromol x (min x mg)(-1) and 33.2 micromol x (min x mg)(-1), respectively. It is shown that the C/N ratio has an important effect on enhancing hydrogen production and enzyme activity.

  14. Some Congruence Properties of a Restricted Bipartition Function cN(n

    Directory of Open Access Journals (Sweden)

    Nipen Saikia

    2016-01-01

    Full Text Available Let cN(n denote the number of bipartitions (λ,μ of a positive integer n subject to the restriction that each part of μ is divisible by N. In this paper, we prove some congruence properties of the function cN(n for N=7, 11, and 5l, for any integer l≥1, by employing Ramanujan’s theta-function identities.

  15. Soil microbial C:N ratio is a robust indicator of soil productivity for paddy fields

    Science.gov (United States)

    Li, Yong; Wu, Jinshui; Shen, Jianlin; Liu, Shoulong; Wang, Cong; Chen, Dan; Huang, Tieping; Zhang, Jiabao

    2016-10-01

    Maintaining good soil productivity in rice paddies is important for global food security. Numerous methods have been developed to evaluate paddy soil productivity (PSP), most based on soil physiochemical properties and relatively few on biological indices. Here, we used a long-term dataset from experiments on paddy fields at eight county sites and a short-term dataset from a single field experiment in southern China, and aimed at quantifying relationships between PSP and the ratios of carbon (C) to nutrients (N and P) in soil microbial biomass (SMB). In the long-term dataset, SMB variables generally showed stronger correlations with the relative PSP (rPSP) compared to soil chemical properties. Both correlation and variation partitioning analyses suggested that SMB N, P and C:N ratio were good predictors of rPSP. In the short-term dataset, we found a significant, negative correlation of annual rice yield with SMB C:N (r = -0.99), confirming SMB C:N as a robust indicator for PSP. In treatments of the short-term experiment, soil amendment with biochar lowered SMB C:N and improved PSP, while incorporation of rice straw increased SMB C:N and reduced PSP. We conclude that SMB C:N ratio does not only indicate PSP but also helps to identify management practices that improve PSP.

  16. Metabolic Engineering to Develop a Pathway for the Selective Cleavage of Carbon-Nitrogen Bonds

    Energy Technology Data Exchange (ETDEWEB)

    John J. Kilbane II

    2005-10-01

    The objective of the project is to develop a biochemical pathway for the selective cleavage of C-N bonds in molecules found in petroleum. Specifically a novel biochemical pathway will be developed for the selective cleavage of C-N bonds in carbazole. The cleavage of the first C-N bond in carbazole is accomplished by the enzyme carbazole dioxygenase, that catalyzes the conversion of carbazole to 2-aminobiphenyl-2,3-diol. The genes encoding carbazole dioxygenase were cloned from Sphingomonas sp. GTIN11 and from Pseudomonas resinovorans CA10. The selective cleavage of the second C-N bond has been challenging, and efforts to overcome that challenge have been the focus of recent research in this project. Enrichment culture experiments succeeded in isolating bacterial cultures that can metabolize 2-aminobiphenyl, but no enzyme capable of selectively cleaving the C-N bond in 2-aminobiphenyl has been identified. Aniline is very similar to the structure of 2-aminobiphenyl and aniline dioxygenase catalyzes the conversion of aniline to catechol and ammonia. For the remainder of the project the emphasis of research will be to simultaneously express the genes for carbazole dioxygenase and for aniline dioxygenase in the same bacterial host and then to select for derivative cultures capable of using carbazole as the sole source of nitrogen.

  17. DFT study of small fullerene dimer complexes C_2_0-N_m@C_n (m = 1-6 and n = 24, 28, 32, 36 and 40)

    International Nuclear Information System (INIS)

    Kaur, Sandeep; Sharma, Amrish; Mudahar, Isha

    2016-01-01

    First principle calculations based on density functional theory were performed to calculate the structural and electronic properties of C_2_0-N_m@C_n dimer complexes. The calculated binding energies of the complexes formed are comparable to C_6_0 dimer which ensures their stability. The bond lengths of these dimer complexes were found to be nearly same as pure complexes C_2_0-C_n. Further, nitrogen (N) atoms were encapsulated inside the secondary cage (C_n) of dimer complexes and the number of N atoms depends on diameter of the cage. The HOMO-LUMO gaps of new proposed complexes indicate the increase in gap as compared to pure complexes. Mulliken charge analysis of these complexes has been studied which shows the significant charge transfer from the N atoms to the secondary cage of these complexes. The study propose the formation of the new dimer complexes which are stable and are able to encapsulate atoms which are otherwise reactive in free space.

  18. Ecological stoichiometry of C, N and P on different time enclosed in desertification steppe soil

    Science.gov (United States)

    Yang, W. Z.; Jiao, Y.; Jia, Y. Q.

    2017-08-01

    It is the research object for the ecological stoichiometry of C, N and P on the different time of desertification grasslands enclosed and grazing grassland in Taibusi country of the Inner Mongolia, China. Through the measurement and analysis on ecological stoichiometric ratio of C, N and P in soil, the time of desertification grassland enclosed is determined. There are 13 soil of desertification grassland with different en-closure time, and 1 soil of grazing grassland. They are analyzed for the soil organic carbon, total nitro-gen, total phosphorus content and their density. The C/N of soil were increased with the extension of the time of desertification grassland enclosed. To 22 years enclosed, the C/N of grassland desertification soil enclosed is greater than the soil of grazing grassland that is 17. After the desertification grassland is en-closed, the C/N of soil is 13, and it is accumulated to maximum for C and N, and The grazing period is the best.

  19. Bonding with Your Baby

    Science.gov (United States)

    ... the future bonding of the child and parent. Adoptive parents may be concerned about bonding with their ... general emotional support. And it's OK to ask family members and friends for help in the days — ...

  20. Effects of three global change drivers on terrestrial C:N:P stoichiometry

    DEFF Research Database (Denmark)

    Yue, Kai; Fornara, Dario A; Yang, Wanqin

    2017-01-01

    more common than synergistic or antagonistic interactions, (4) C:N:P stoichiometry of soil and soil microbial biomass shows high homeostasis under global change manipulations, and (5) C:N:P responses to global change are strongly affected by ecosystem type, local climate and experimental conditions......Over the last few decades there has been an increasing number of controlled-manipulative experiments to investigate how plants and soils might respond to global change. These experiments typically examined the effects of each of three global change drivers (i.e. nitrogen (N) deposition, warming...... of plants, soils and soil microbial biomass might respond to individual vs. combined effects of the three global change drivers. Our results show that (1) individual effects of N addition and elevated CO2 on C:N:P stoichiometry are stronger than warming, (2) combined effects of pairs of global change...

  1. Novel precursor-derived Si-C-N ceramic material for purification application.

    Science.gov (United States)

    Roh, Changhyun; Lee, Sea-Hoon; Francois, Villatte

    2008-02-01

    Metagenomic DNA (gDNA) is an important research topic because uncultivated microorganisms represent an interesting reservoir of genes with potential biotechnological applications. Here we describe a novel Si-C-N chromatography approach of gDNA extraction from environmental samples. Amorphous Si-C-N ceramic was obtained by the pyrolysis of a polymer precursor (polycarbosilazane) at 1350 degrees C in Ar. The purified gDNA fragments were at least 12 kilo base pairs in size and were sufficiently free of contaminants, thus were applicable to both restriction enzyme digestion using five different enzymes and polymerase chain reaction amplification for detecting phylogenetic groups of native microorganisms in environmental samples. This Si-C-N material produces pure gDNA that can be utilized in some of the most common molecular biological procedures applied in the purification step.

  2. Co-composting of green waste and food waste at low C/N ratio

    International Nuclear Information System (INIS)

    Kumar, Mathava; Ou, Y.-L.; Lin, J.-G.

    2010-01-01

    In this study, co-composting of food waste and green waste at low initial carbon to nitrogen (C/N) ratios was investigated using an in-vessel lab-scale composting reactor. The central composite design (CCD) and response surface method (RSM) were applied to obtain the optimal operating conditions over a range of preselected moisture contents (45-75%) and C/N ratios (13.9-19.6). The results indicate that the optimal moisture content for co-composting of food waste and green waste is 60%, and the substrate at a C/N ratio of 19.6 can be decomposed effectively to reduce 33% of total volatile solids (TVS) in 12 days. The TVS reduction can be modeled by using a second-order equation with a good fit. In addition, the compost passes the standard germination index of white radish seed indicating that it can be used as soil amendment.

  3. Australia's Bond Home Bias

    OpenAIRE

    Anil V. Mishra; Umaru B. Conteh

    2014-01-01

    This paper constructs the float adjusted measure of home bias and explores the determinants of bond home bias by employing the International Monetary Fund's high quality dataset (2001 to 2009) on cross-border bond investment. The paper finds that Australian investors' prefer investing in countries with higher economic development and more developed bond markets. Exchange rate volatility appears to be an impediment for cross-border bond investment. Investors prefer investing in countries with ...

  4. Contribution to the study of the (U,Pu)C,N system; Contribution a l'etude du systeme (U,Pu)C,N

    Energy Technology Data Exchange (ETDEWEB)

    Lorenzelli, R [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1968-07-01

    The reactions of UC, PuC, (U,Pu)C, UC{sub 2} and U(C{sub 1-x}O{sub x}) with nitrogen at moderate temperatures (room temperature to 400 C) are described. The influence of the uptake of nitrogen by the powders necessary to sinter the carbides upon the nature of the final product has been investigated; it has been shown that the sintered carbides are hyper-stoichiometric. The reactions of carbon with UN, PuN and (U,Pu)N has also been studied. Under vacuum, carbon reacts on the nitrides at temperatures as low as 1100 C; nitrogen is replaced by carbon and the final product is a carbonitride. The reaction is: MN + x C {yields} MN{sub 1-x}C{sub x} + x/2N{sub 2}. The reaction is limited and the carbonitrides have a fixed composition in presence of M{sub 2}C{sub 3} or MC{sub 2}; hence it is impossible to produce pure MC using the reaction. The ternary diagram U-C-N, Pu-C-N and (U,Pu)C-N have been drawn. They show clearly that it is possible to obtain single phase carbonitrides in a wide domain of compositions. (author) [French] On decrit les reactions avec l'azote de UC, PuC,(U,Pu)C,UC{sub 2} et U(C{sub 1-x}O{sub x}), par action directe de l'azote a temperature moderee (de l'ambiante a 450 C). On a etudie l'influence de la contamination par l'azote des poudres de carbures necessaires au frittage sur la nature des produits frittes; on a montre que les carbures frittes obtenus sont hyperstoechiometriques. On a etudie parallelement les reactions du carbone avec UN, PuN et (U,Pu)N. Sous vide le carbone reagit sur les nitrures des 1100 C: le carbone se substitue a l'azote; l'azote libere est elimine et le produit final est un carbonitrure. La reaction s'ecrit: MN + x C {yields} MN{sub 1-x}C{sub x} + x/2N{sub 2}. La reaction est limitee et les carbonitrures obtenus ont une composition limite fixe en presence des carbures superieurs M{sub 2}C{sub 3} et MC{sub 2}; il est donc impossible d'obtenir MC pur par cette reaction. Les diagrammes d'equilibre U-C-N, Pu-C-N et (U,Pu) C-N, ont

  5. Contribution to the study of the (U,Pu)C,N system; Contribution a l'etude du systeme (U,Pu)C,N

    Energy Technology Data Exchange (ETDEWEB)

    Lorenzelli, R. [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1968-07-01

    The reactions of UC, PuC, (U,Pu)C, UC{sub 2} and U(C{sub 1-x}O{sub x}) with nitrogen at moderate temperatures (room temperature to 400 C) are described. The influence of the uptake of nitrogen by the powders necessary to sinter the carbides upon the nature of the final product has been investigated; it has been shown that the sintered carbides are hyper-stoichiometric. The reactions of carbon with UN, PuN and (U,Pu)N has also been studied. Under vacuum, carbon reacts on the nitrides at temperatures as low as 1100 C; nitrogen is replaced by carbon and the final product is a carbonitride. The reaction is: MN + x C {yields} MN{sub 1-x}C{sub x} + x/2N{sub 2}. The reaction is limited and the carbonitrides have a fixed composition in presence of M{sub 2}C{sub 3} or MC{sub 2}; hence it is impossible to produce pure MC using the reaction. The ternary diagram U-C-N, Pu-C-N and (U,Pu)C-N have been drawn. They show clearly that it is possible to obtain single phase carbonitrides in a wide domain of compositions. (author) [French] On decrit les reactions avec l'azote de UC, PuC,(U,Pu)C,UC{sub 2} et U(C{sub 1-x}O{sub x}), par action directe de l'azote a temperature moderee (de l'ambiante a 450 C). On a etudie l'influence de la contamination par l'azote des poudres de carbures necessaires au frittage sur la nature des produits frittes; on a montre que les carbures frittes obtenus sont hyperstoechiometriques. On a etudie parallelement les reactions du carbone avec UN, PuN et (U,Pu)N. Sous vide le carbone reagit sur les nitrures des 1100 C: le carbone se substitue a l'azote; l'azote libere est elimine et le produit final est un carbonitrure. La reaction s'ecrit: MN + x C {yields} MN{sub 1-x}C{sub x} + x/2N{sub 2}. La reaction est limitee et les carbonitrures obtenus ont une composition limite fixe en presence des carbures superieurs M{sub 2}C{sub 3} et MC{sub 2}; il est donc impossible d'obtenir MC pur par cette reaction. Les diagrammes

  6. Phenylacetylene and H bond

    Indian Academy of Sciences (India)

    ... all resembling H bonds. Non-linear H bonds due to secondary interactions. C-H stretching frequency shows blue shift. Heavy atom distances are longer than the sum of van der Waals radii. Formed a task group through IUPAC to come up with a modern definition of H bond. 15 international experts including Desiraju.

  7. Bulk superhard B-C-N nanocomposite compact and method for preparing thereof

    Science.gov (United States)

    Zhao, Yusheng; He, Duanwei

    2004-07-06

    Bulk, superhard, B-C-N nanocomposite compact and method for preparing thereof. The bulk, superhard, nanocomposite compact is a well-sintered compact and includes nanocrystalline grains of at least one high-pressure phase of B-C-N surrounded by amorphous diamond-like carbon grain boundaries. The bulk compact has a Vicker's hardness of about 41-68 GPa. It is prepared by ball milling a mixture of graphite and hexagonal boron nitride, encapsulating the ball-milled mixture, and sintering the encapsulated ball-milled mixture at a pressure of about 5-25 GPa and at a temperature of about 1000-2500 K.

  8. DARC PLURIDATA system: the /sup 13/C-N. M. R. data bank

    Energy Technology Data Exchange (ETDEWEB)

    Dubois, J E; Bonnet, J C [Paris-7 Univ., 75 (France)

    1979-09-15

    The capabilities of the DARC system are discussed and illustrated by the storage and retrieval functions of the /sup 13/C-N.M.R. data bank of the DARC PLURIDATA system. The data covered by the bank, as well as the input stream to the bank and validation of the spectra, are described. Particular stress is laid on the DARC structural retrieval system, which illustrates the interactive interrogration of a chemical bank by means of the structural diagram of a molecule, i.e. the universal language in chemistry. The potential of the /sup 13/C-N.M.R. data bank in computer-aided structural elucidation is outlined.

  9. Thermal properties of black phosphorene and doped phosphorene (C, N & O): A DFT study

    Science.gov (United States)

    Devi, Anjna; Singh, Amarjeet

    2018-04-01

    In this work, we present the results from a DFT based computational study of pristine phosphorene and doped (C, N & O) phosphorene. We systematically investigated the lattice thermal properties of black phosphorene and the effect of doping on its thermal properties. We first determined the vibrational properties of pristine and doped phosphorene and from these results we calculated their thermal properties. We doped the phosphorene with C, N and O and observed that the structural stability of doped phosphorene decreases, while the thermal stability is increased as compared to pristine phosphorene. The presence of finite temperature effects in the doped system can contribute to acceleration of progress in future nano-scale technology.

  10. Chemical bond fundamental aspects of chemical bonding

    CERN Document Server

    Frenking, Gernot

    2014-01-01

    This is the perfect complement to ""Chemical Bonding - Across the Periodic Table"" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemica

  11. Thermally Oxidized C, N Co-Doped ANATASE-TiO2 Coatings on Stainless Steel for Tribological Properties

    Science.gov (United States)

    Wang, Hefeng; Shu, Xuefeng; Li, Xiuyan; Tang, Bin; Lin, Naiming

    2013-07-01

    Ti(C, N) coatings were prepared on stainless steel (SS) substrates by plasma surface alloying technique. Carbon-nitrogen co-doped titanium dioxide (C-N-TiO2) coatings were fabricated by oxidative of the Ti(C, N) coatings in air. The prepared C-N-TiO2 coatings were characterized by SEM, XPS and XRD. Results reveal that the SS substrates were entirely shielded by the C-N-TiO2 coatings. The C-N-TiO2 coatings are anatase in structure as characterized by X-ray diffraction. The tribological behavior of the coatings was tested with ball-on-disc sliding wear and compared with substrate. Such a C-N-TiO2 coatings showed good adhesion with the substrate and tribological properties of the SS in terms of much reduced friction coefficient and increased wear resistance.

  12. Dike intrusions into bituminous coal, Illinois Basin: H, C, N, O isotopic responses to rapid and brief heating

    Science.gov (United States)

    Schimmelmann, A.; Mastalerz, Maria; Gao, L.; Sauer, P.E.; Topalov, K.

    2009-01-01

    Unlike long-term heating in subsiding sedimentary basins, the near-instantaneous thermal maturation of sedimentary organic matter near magmatic intrusions is comparable to artificial thermal maturation in the laboratory in terms of short duration and limited extent. This study investigates chemical and H, C, N, O isotopic changes in high volatile bituminous coal near two Illinois dike contacts and compares observed patterns and trends with data from other published studies and from artificial maturation experiments. Our study pioneers in quantifying isotopically exchangeable hydrogen and measuring the D/H (i.e., 2H/1H) ratio of isotopically non-exchangeable organic hydrogen in kerogen near magmatic contacts. Thermal stress in coal caused a reduction of isotopically exchangeable hydrogen in kerogen from 5% to 6% in unaltered coal to 2-3% at contacts, mostly due to elimination of functional groups (e.g., {single bond}OH, {single bond}COOH, {single bond}NH2). In contrast to all previously published data on D/H in thermally matured organic matter, the more mature kerogen near the two dike contacts is D-depleted, which is attributed to (i) thermal elimination of D-enriched functional groups, and (ii) thermal drying of hydrologically isolated coal prior to the onset of cracking reactions, thereby precluding D-transfer from relatively D-enriched water into kerogen. Maxima in organic nitrogen concentration and in the atomic N/C ratio of kerogen at a distance of ???2.5 to ???3.5 m from the thicker dike indicate that reactive N-compounds had been pyrolytically liberated at high temperature closer to the contact, migrated through the coal seam, and recombined with coal kerogen in a zone of lower temperature. The same principle extends to organic carbon, because a strong ??13Ckerogen vs. ??15Nkerogen correlation across 5.5 m of coal adjacent to the thicker dike indicates that coal was functioning as a flow-through reactor along a dynamic thermal gradient facilitating back

  13. Aggregation behavior of gemini pyrrolidine-based ionic liquids 1,1'-(butane-1,4-diyl)bis(1-alkylpyrrolidinium) bromide ([C(n)py-4-C(n)py][Br2]) in aqueous solution.

    Science.gov (United States)

    Zhang, Shaohua; Yan, Han; Zhao, Mingwei; Zheng, Liqiang

    2012-04-15

    Three gemini pyrrolidine-based ionic liquids, 1,1'-(butane-1,4-diyl)bis(1-alkylpyrrolidinium) bromide ([C(n)py-4-C(n)py][Br(2)], n=10, 12, 14), were synthesized. Their aggregation behavior in aqueous solution was systematically investigated by surface tension, electrical conductivity, and steady-state fluorescence. Compared with their corresponding monomers, N-alkyl-N-methylpyrrolidinium bromide (C(n)MPB), [C(n)py-4-C(n)py][Br(2)], have higher surface activity. The special structure of [C(n)py-4-C(n)py][Br(2)] that has a spacer in their hydrophilic head groups results in a lower surface excess concentration (Γ(max)) and a larger molecular cross-sectional area (A(min)). Electrical conductivity studies show a lower degree of counter-ion binding to the aggregates. A smaller aggregation number (N(agg)) is observed by the pyrene fluorescence quenching method. A series of thermodynamic parameters (ΔG(agg)(0),ΔH(agg)(0),-TΔS(agg)(0)) of aggregation derived from electrical conductivity indicate that the aggregation of [C(n)py-4-C(n)py][Br(2)] is enthalpy-driven, while aggregation of C(n)MPB is entropy-driven at low temperatures but enthalpy-driven at high temperatures. Copyright © 2012 Elsevier Inc. All rights reserved.

  14. Low-energy electron scattering by C, N, and O atoms

    Energy Technology Data Exchange (ETDEWEB)

    Nesbet, R K [International Business Machines Corp., San Jose, Calif. (USA). Research Lab.

    1977-07-01

    Recent theoretical studies of low-energy electron scattering by C, N, and O atoms are reviewed and results are compared with available experimental data. A critical comparison is made of the two principal methods used in this work-polarized pseudostate expansion with R-matrix computations or direct integration, and Bethe-Goldstone expansion with matrix variational computations. 31 references.

  15. Preparation of Ta(C)N films by pulsed high energy density plasma

    Energy Technology Data Exchange (ETDEWEB)

    Feng Wenran [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Chen Guangliang [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Zhang Yan [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Gu Weichao [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Zhang Guling [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Niu Erwu [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Liu Chizi [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Yang Size [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China)

    2007-04-07

    The pulsed high energy density plasma (PHEDP) is generated in the working gas due to a high-voltage high-current discharge, within a coaxial gun. In PHEDP surface modification, discharge is applied for preparing the amorphous and nanostructured high-melting materials as thin films deposited on various substrates. In this investigation, Ta(C)N films were deposited using PHEDP on stainless steel. Pure tantalum and graphite were used as the inner and outer electrodes of the PHEDP coaxial gun, respectively. Nitrogen was used as the working gas and also one of the reactants. Preliminary study on the films prepared under different conditions shows that the formation of Ta(C)N is drastically voltage dependent. At lower gun voltage, no Ta(C)N was detected in the films; when the gun voltage reaches or exceeds 3.0 kV, Ta(C)N occurred. The films are composed of densely stacked nanocrystallines with diameter less than 30 nm, and some grains are within 10 nm in diameter.

  16. Optical features of C, N, Mn implanted MgO films

    International Nuclear Information System (INIS)

    Dorosinets, V.A.; Dobrinets, I.A.; Wieck, A.

    2013-01-01

    Optical absorption and Raman spectra investigations of C/ N/ Mn implanted MgO films have been investigated. The spectra reveal a surface modification and a dependence of the defect formation mechanism on the ion type and the annealing regime. (authors)

  17. Copper-catalyzed transformation of ketones to amides via C(CO)-C(alkyl) bond cleavage directed by picolinamide.

    Science.gov (United States)

    Ma, Haojie; Zhou, Xiaoqiang; Zhan, Zhenzhen; Wei, Daidong; Shi, Chong; Liu, Xingxing; Huang, Guosheng

    2017-09-13

    Copper catalyzed chemoselective cleavage of the C(CO)-C(alkyl) bond leading to C-N bond formation with chelation assistance of N-containing directing groups is described. Inexpensive Cu(ii)-acetate serves as a convenient catalyst for this transformation. This method highlights the emerging strategy to transform unactivated alkyl ketones into amides in organic synthesis and provides a new strategy for C-C bond cleavage.

  18. Forest wildfire increases soil microbial biomass C:N:P stoichiometry in long-term effects

    Science.gov (United States)

    Zhou, Xuan

    2017-04-01

    Boreal forest fire strongly influences carbon (C) stock in permafrost soil by thawing permafrost table which accelerated microbe decomposition process. We studied soil microbial biomass stoichiometry in a gradient of four (3 yr, 25 yr, 46 yr and more than 100 yr) ages since fire in Canada boreal forest. Soil microbial biomass (MB) in long-term after fire is significantly higher than in short-term. MB C and nitrogen (N) were mainly dominated by corresponding soil element concentration and inorganic P, while MB phosphorus (P) changes were fully explained by soil N. Fire ages and soil temperature positively increased MB N and P, indicating the negative impact by fire. Microbial C:N:P gradually increased with fire ages from 15:2:1 to 76:6:1 and then drop down to 17:2:1 in the oldest fire ages. The degree of homeostasis of microbial C, N and P are close to 1 indicates non-homoeostasis within microbial elements, while it of C:N:P is close to 8 shows a strong homeostasis within element ratios and proved microbial stoichiometric ratio is not driven by soil element ratios. In conclusion, i) microbial biomass elements highly depends on soil nutrient supply rather than fire ages; ii) wildfire decreased microbial stoichiometry immediate after fire but increased with years after fire (YF) which at least 3 times higher than > 100 fire ages; iii) microbial biomass C, N and P deviated from strict homeostasis but C:N:P ratio reflects stronger homeostasis.

  19. Carbon-sulfur bond formation by reductive elimination of gold(iii) thiolates.

    Science.gov (United States)

    Currie, Lucy; Rocchigiani, Luca; Hughes, David L; Bochmann, Manfred

    2018-04-10

    Whereas the reaction of the gold(iii) pincer complex (C^N^C)AuCl with 1-adamantyl thiol (AdSH) in the presence of base affords (C^N^C)AuSAd, the same reaction in the absence of base leads to formation of aryl thioethers as the products of reductive elimination of the Au-C and Au-S ligands (C^N^C = dianion of 2-6-diphenylpyridine or 2-6-diphenylpyrazine). Although high chemical stability is usually taken as a characteristic of pincer complexes, results show that thiols are capable of cleaving one of the pincer Au-C bonds. This reaction is not simply a function of S-H acidity, since no cleavage takes place with other more acidic X-H compounds, such as carbazole, amides, phenols and malonates. The reductive C-S elimination follows a second-order rate law, -d[1a]/dt = k[1a][AdSH]. Reductive elimination is enabled by displacement of the N-donor by thiol; this provides the conformational flexibility necessary for C-S bond formation to occur. Alternatively, reductive C-S bond formation can be induced by reaction of pre-formed thiolates (C^N^C)AuSR with a strong Brønsted acid, followed by addition of SMe2 as base. On the other hand, treatment of (C^N^C)AuR (R = Me, aryl, alkynyl) with thiols under similar conditions leads to selective C-C rather than C-S bond formation. The reaction of (C^N^C)AuSAd with H+ in the absence of a donor ligand affords the thiolato-bridged complex [{(C^N-CH)Au(μ-SAd)}2]2+ which was crystallographically characterised.

  20. METABOLIC ENGINEERING TO DEVELOP A PATHWAY FOR THE SELECTIVE CLEAVAGE OF CARBON-NITROGEN BONDS

    Energy Technology Data Exchange (ETDEWEB)

    John J. Kilbane II

    2004-10-01

    The objective of the project is to develop biochemical pathways for the selective cleavage of C-N bonds in molecules found in petroleum. The initial phase of the project was focused on the isolation or development of an enzyme capable of cleaving the C-N bond in aromatic amides, specifically 2-aminobiphenyl. The objective of the second phase of the research will be to construct a biochemical pathway for the selective removal of nitrogen from carbazole by combining the carA genes from Sphingomonas sp. GTIN11 with the gene(s) encoding an appropriate deaminase. The objective of the final phase of the project will be to develop derivative C-N bond cleaving enzymes that have broader substrate ranges and to demonstrate the use of such strains to selectively remove nitrogen from petroleum. During the first year of the project (October, 2002-September, 2003) enrichment culture experiments resulted in the isolation of microbial cultures that utilize aromatic amides as sole nitrogen sources, several amidase genes were cloned and were included in directed evolution experiments to obtain derivatives that can cleave C-N bonds in aromatic amides, and the carA genes from Sphingomonas sp. GTIN11, and Pseudomonas resinovorans CA10 were cloned in vectors capable of replicating in Escherichia coli. During the second year of the project (October, 2003-September, 2004) enrichment culture experiments succeeded in isolating a mixed bacterial culture that can utilize 2-aminobiphenyl as a sole nitrogen source, directed evolution experiments were focused on the aniline dioxygenase enzyme that is capable of deaminating aniline, and expression vectors were constructed to enable the expression of genes encoding C-N bond cleaving enzymes in Rhodococcus hosts. The construction of a new metabolic pathway to selectively remove nitrogen from carbazole and other molecules typically found in petroleum should lead to the development of a process to improve oil refinery efficiency by reducing the

  1. BONDING ALUMINUM METALS

    Science.gov (United States)

    Noland, R.A.; Walker, D.E.

    1961-06-13

    A process is given for bonding aluminum to aluminum. Silicon powder is applied to at least one of the two surfaces of the two elements to be bonded, the two elements are assembled and rubbed against each other at room temperature whereby any oxide film is ruptured by the silicon crystals in the interface; thereafter heat and pressure are applied whereby an aluminum-silicon alloy is formed, squeezed out from the interface together with any oxide film, and the elements are bonded.

  2. Copper wire bonding

    CERN Document Server

    Chauhan, Preeti S; Zhong, ZhaoWei; Pecht, Michael G

    2014-01-01

    This critical volume provides an in-depth presentation of copper wire bonding technologies, processes and equipment, along with the economic benefits and risks.  Due to the increasing cost of materials used to make electronic components, the electronics industry has been rapidly moving from high cost gold to significantly lower cost copper as a wire bonding material.  However, copper wire bonding has several process and reliability concerns due to its material properties.  Copper Wire Bonding book lays out the challenges involved in replacing gold with copper as a wire bond material, and includes the bonding process changes—bond force, electric flame off, current and ultrasonic energy optimization, and bonding tools and equipment changes for first and second bond formation.  In addition, the bond–pad metallurgies and the use of bare and palladium-coated copper wires on aluminum are presented, and gold, nickel and palladium surface finishes are discussed.  The book also discusses best practices and re...

  3. The Beckman-Quarles theorem for continuous mappings from R^n to C^n

    OpenAIRE

    Tyszka, Apoloniusz

    2002-01-01

    Let \\phi((x_1,...,x_n),(y_1,...,y_n))=(x_1-y_1)^2+...+(x_n-y_n)^2. We say that f:R^n -> C^n preserves distance d>=0 if for each x,y \\in R^n \\phi(x,y)=d^2 implies \\phi(f(x),f(y))=d^2. We prove that if x,y \\in R^n (n>=3) and |x-y|=(\\sqrt{2+2/n})^k \\cdot (2/n)^l (k,l are non-negative integers) then there exists a finite set {x,y} \\subseteq S(x,y) \\subseteq R^n such that each unit-distance preserving mapping from S(x,y) to C^n preserves the distance between x and y. It implies that each continuou...

  4. The Main Path to C, N, O Elements in Big Bang Nucleosynthesis

    International Nuclear Information System (INIS)

    Su-Qing, Hou; Kai-Su, Wu; Yong-Shou, Chen; Neng-Chuan, Shu; Zhi-Hong, Li

    2010-01-01

    The production of C, N, O elements in a standard big bang nucleosynthesis scenario is investigated. Using the up-to-date data of nuclear reactions in BBN, in particular the 8 Li (n,γ) 9 Li which has been measured in China Institute of Atomic Energy, a full nucleosynthesis network calculation of BBN is carried out. Our calculation results show that the abundance of 12 C is increased for an order of magnitude after addition of the reaction chain 8 Li(n,γ) 9 Li(α,n) 12 B(β) 12 C, which was neglected in previous studies. We find that this sequence provides the main channel to convert the light elements into C, N, O in standard BBN. (nuclear physics)

  5. Probing the impact of magnetic interactions on the lattice dynamics of two-dimensional Ti2X (X = C, N) MXenes.

    Science.gov (United States)

    Sternik, Małgorzata; Wdowik, Urszula D

    2018-03-14

    Dynamical properties of the two-dimensional Ti 2 C and Ti 2 N MXenes were investigated using density functional theory and discussed in connection with their structures and electronic properties. To elucidate the influence of magnetic interactions on the fundamental properties of these systems, the nonmagnetic, ferromagnetic and three distinct antiferromagnetic spin arrangements on titanium sublattice were considered. Each magnetic configuration was also studied at two directions of the spin magnetic moment with respect to the MXene layer. The zero-point energy motion, following from the phonon calculations, was taken into account while analyzing the energetic stability of the magnetic phases against the nonmagnetic solution. This contribution was found not to change a sequence of the energetic stability of the considered magnetic structures of Ti 2 X (X = C, N) MXenes. Both Ti 2 X (X = C, N) systems are shown to prefer antiferromagnetic arrangement of spins between Ti layers and the ferromagnetic order within each layer. This energetically privileged phase is semiconducting for Ti 2 C and metallic for Ti 2 N. The type of magnetic order as well as the in-plane or out-of-plane spin polarizations have a relatively small impact on the structural parameters, Ti-X bonding length, force constants and phonon spectra of both Ti 2 X systems, leading to observable differences only between the nonmagnetic and any other magnetic configurations. Nonetheless, a noticeable effect of the spin orientation on degeneracy of the Ti-3d orbitals is encountered. The magnetic interactions affect to a great extent the positions and intensities of the Raman-active modes, and hence one could exploit this effect for experimental verification of the theoretically predicted magnetic state of Ti 2 X monolayers. Theoretical phonon spectra of Ti 2 X (X = C, N) MXenes exhibit a linear dependence on energy in the long-wavelength limit, which is typical for a 2D system.

  6. Synthesis and purification of /sup 14/C N-2-hydroxyethyl-N-nitrosourea

    Energy Technology Data Exchange (ETDEWEB)

    Perez, G.; Possagno, E.; Caponecchi, G.; Lilla, E.; Polcaro, C.

    1986-04-01

    /sup 14/C N-2-hydroxyethyl-N-nitrosourea was prepared at a specific activity of 30 mCi/mmol and 1.29 mCi/mmol by a two-step synthetic sequence using /sup 14/C ethanolamine as the labelled precursor. Its purification was performed by HPLC using a Lichrosorb-DIOL column eluted by ethyl ether. The overall radiochemical yield was 10%.

  7. Synthesis and purification of 14C N-2-hydroxyethyl-N-nitrosourea

    International Nuclear Information System (INIS)

    Perez, G.; Possagno, E.; Caponecchi, G.; Lilla, E.

    1986-01-01

    14 C N-2-hydroxyethyl-N-nitrosourea was prepared at a specific activity of 30 mCi/mmol and 1.29 mCi/mmol by a two-step synthetic sequence using 14 C ethanolamine as the labelled precursor. Its purification was performed by HPLC using a Lichrosorb-DIOL column eluted by ethyl ether. The overall radiochemical yield was 10%. (author)

  8. Optimal C:N ratio for the production of red pigments by Monascus ruber.

    Science.gov (United States)

    Said, Farhan M; Brooks, John; Chisti, Yusuf

    2014-09-01

    The carbon-to-nitrogen (C:N) ratio in the biomass of microfungi tends to be quite different (e.g. 10-15) compared with the C:N ratio in the red pigments (e.g. >20) of the fungus Monascus ruber. Therefore, determining an optimal C:N ratio in the culture medium for maximizing the production of the pigments is important. A culture medium composition is established for maximizing the production of the red pigment by the fungus M. ruber ICMP 15220 in submerged culture. The highest volumetric productivity of the red pigment was 0.023 AU L(-1) h(-1) in a batch culture (30 °C, initial pH of 6.5) with a defined medium of the following composition (g L(-1)): glucose (10), monosodium glutamate (MSG) (10), MgSO4·7H2O (0.5), KH2PO4 (5), K2HPO4 (5), ZnSO4·7H2O (0.01), FeSO4·7H2O (0.01), CaCl2 (0.1), MnSO4·H2O (0.03). This medium formulation had a C:N mole ratio of 9:1. Under these conditions, the specific growth rate of the fungus was 0.043 h(-1) and the peak biomass concentration was 6.7 g L(-1) in a 7-day culture. The biomass specific productivity of the red pigment was 1.06 AU g(-1) h(-1). The best nitrogen source proved to be MSG although four other inorganic nitrogen sources were evaluated.

  9. Oxidation resistance of quintuple Ti-Al-Si-C-N coatings and associated mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Wu Guizhi; Ma Shengli; Xu Kewei; Ji, Vincent; Chu, Paul K. [State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049 (China); ICMMO/LEMHE, Universite Paris-Sud 11, 91405 Orsay Cedex (France); Department of Physics and Materials Science, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon (Hong Kong)

    2012-07-15

    The oxidation behavior of Ti-Al-Si-C-N hard coatings with different Al contents deposited on high-speed steel and Si substrates by hybrid arc-enhanced magnetron sputtering is investigated in the temperature range of 500 Degree-Sign C-1000 Degree-Sign C. The coating hardness is maintained at around 35 GPa, and the parabolic oxidation rate constant K{sub p} at 1000 Degree-Sign C decreases to 3.36 Multiplication-Sign 10{sup -10} kg{sup 2} m{sup -4} s{sup -1} when the Al concentration is increased to 30 at. %, indicating that Ti-Al-Si-C-N coatings with larger Al concentrations have better oxidation resistance. X-ray diffraction, cross-sectional scanning electron microscopy, and x-ray photoelectron spectroscopy reveal a protective surface layer consisting of Al{sub 2}O{sub 3}, TiO{sub 2}, and SiO{sub 2} that retards inward oxygen diffusion. A mechanism is proposed to elucidate the oxide formation. As a consequence of the good oxidation resistance, the Ti-Al-Si-C-N coatings have a large potential in high-speed dry cutting as well as other high temperature applications.

  10. Ti-Al-Si-C-N hard coatings synthesized by hybrid arc enhanced magnetron sputtering

    International Nuclear Information System (INIS)

    Wu, Guizhi; Liu, Sitao; Ma, Shengli; Xu, Kewei; Vincent, Ji; Chu, Paul K.

    2010-01-01

    Ti-Al-Si-C-N coatings are deposited by hybrid arc-enhanced magnetic sputtering and characterized by various micro- and macro-tools. X-ray diffraction, high-resolution transmission electron microscopy, and X-ray photoelectron spectroscopy reveal that the coatings are nanocomposites consisting of nanocrystallites and amorphous phases. They are generally in the form of nc-(Ti,Al)(C,N)/a-Si_3N_4/a-C depending on the composition of the coatings. With increasing Al concentrations, the X-ray diffraction peaks shift to a lower angle indicating compressive stress in the coatings. The measured hardness also diminishes implying reduced contributions from the self-organized stable nanostructure. The dry friction coefficients of the Ti-Al-Si-C-N coatings are found to be about 0.3 which is lower than that of conventional Ti-Si-N coatings. These coatings can find potential applications requiring high temperature with heavy contact loading. (author)

  11. Contribution to the study of the (U,Pu)C,N system

    International Nuclear Information System (INIS)

    Lorenzelli, R.

    1968-01-01

    The reactions of UC, PuC, (U,Pu)C, UC 2 and U(C 1-x O x ) with nitrogen at moderate temperatures (room temperature to 400 C) are described. The influence of the uptake of nitrogen by the powders necessary to sinter the carbides upon the nature of the final product has been investigated; it has been shown that the sintered carbides are hyper-stoichiometric. The reactions of carbon with UN, PuN and (U,Pu)N has also been studied. Under vacuum, carbon reacts on the nitrides at temperatures as low as 1100 C; nitrogen is replaced by carbon and the final product is a carbonitride. The reaction is: MN + x C → MN 1-x C x + x/2N 2 . The reaction is limited and the carbonitrides have a fixed composition in presence of M 2 C 3 or MC 2 ; hence it is impossible to produce pure MC using the reaction. The ternary diagram U-C-N, Pu-C-N and (U,Pu)C-N have been drawn. They show clearly that it is possible to obtain single phase carbonitrides in a wide domain of compositions. (author) [fr

  12. Crystallization behavior and controlling mechanism of iron-containing Si-C-N ceramics.

    Science.gov (United States)

    Francis, Adel; Ionescu, Emanuel; Fasel, Claudia; Riedel, Ralf

    2009-11-02

    The crystallization behavior and controlling mechanism of the Si-Fe-C-N system based on polymer-derived SiCN ceramic filled with iron metal powder has been studied. The composite preparation conditions allow the formation of a random distribution of metallic particles in the polymer matrix volume for the Si-C-N system. Pyrolysis of the composite material at 1100 degrees C indicates the presence of one crystalline phase Fe(3)Si. While the sample pyrolyzed at 1200 degrees C reveals the formation of both Fe(3)Si and Fe(5)Si(3) phases, a crystallization of beta-SiC is additionally observed by increasing the temperature up to 1300 degrees C. The propensity for the formation of SiC is due to the presence of Fe(5)Si(3), where a solid-liquid-solid (SLS) growth mechanism was suggested to occur. X-ray diffraction (XRD), scanning electron microscopy (SEM), differential thermal analysis (DTA), and thermal gravimetric analysis with mass spectroscopic detection (TGA-MS) were employed to investigate the crystallization behavior of the Si-Fe-C-N system.

  13. A thermodynamic model for C-(N-)A-S-H gel: CNASHss. Derivation and validation

    International Nuclear Information System (INIS)

    Myers, Rupert J.; Bernal, Susan A.; Provis, John L.

    2014-01-01

    The main reaction product in Ca-rich alkali-activated cements and hybrid Portland cement (PC)-based materials is a calcium (alkali) aluminosilicate hydrate (C-(N-)A-S-H) gel. Thermodynamic models without explicit definitions of structurally-incorporated Al species have been used in numerous past studies to describe this gel, but offer limited ability to simulate the chemistry of blended PC materials and alkali-activated cements. Here, a thermodynamic model for C-(N-)A-S-H gel is derived and parameterised to describe solubility data for the CaO–(Na 2 O,Al 2 O 3 )–SiO 2 –H 2 O systems and alkali-activated slag (AAS) cements, and chemical composition data for C-A-S-H gels. Simulated C-(N-)A-S-H gel densities and molar volumes are consistent with the corresponding values reported for AAS cements, meaning that the model can be used to describe chemical shrinkage in these materials. Therefore, this model can provide insight into the chemistry of AAS cements at advanced ages, which is important for understanding the long-term durability of these materials

  14. Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Chongze [Univ. of Minnesota-Twin Cities, Minneapolis, MN (United States); Huang, Jingsong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Sumpter, Bobby G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Meletis, Efstathios [Univ. of Texas at Arlington, Arlington, TX (United States); Dumitrica, Traian [Univ. of Minnesota-Twin Cities, Minneapolis, MN (United States)

    2017-10-27

    Density functional theory calculations are used to explore hexagonal (HX) NiAs-like polymorphs of Zr(B,C,N) and compare with corresponding Zr(B,C,N) Hagg-like face-centered cubic rocksalt (B1) phases. While all predicted compounds are mechanically stable according to the Born-Huang criteria, only HX Zr(C,N) are found dynamically stable from ab initio molecular dynamics simulations and lattice dynamics calculations. HX ZrN emerges as a candidate structure with ground state energy, elastic constants, and extrinsic mechanical parameters comparable with those of B1 ZrN. Ab initio band structure and semi-classical Boltzmann transport calculations predict a metallic character and a monotonic increase in electrical conductivity with the number of valence electrons. Electronic structure calculations indicate that the HX phases gain their stability and mechanical attributes by Zr d- non-metal p hybridization and by broadening of Zr d bands. Furthermore, it is shown that the HX ZrN phase provides a low-energy coherent interface model for connecting B1 ZrN domains, with significant energetic advantage over an atomistic interface model derived from high resolution transmission electron microscopy images. The ab initio characterizations provided herein should aid the experimental identification of non-Hagg-like hard phases. Furthermore, the results can also enrich the variety of crystalline phases potentially available for designing coherent interfaces in superhard nanostructured materials and in materials with multilayer characteristics.

  15. Transversely Compressed Bonded Joints

    DEFF Research Database (Denmark)

    Hansen, Christian Skodborg; Schmidt, Jacob Wittrup; Stang, Henrik

    2012-01-01

    The load capacity of bonded joints can be increased if transverse pressure is applied at the interface. The transverse pressure is assumed to introduce a Coulomb-friction contribution to the cohesive law for the interface. Response and load capacity for a bonded single-lap joint was derived using...

  16. Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structure of (μ-H)(μ-eta1-C==N(H)(t-C4H9))Os3(CO)10

    International Nuclear Information System (INIS)

    Adams, R.D.; Golembeski, N.M.

    1979-01-01

    The crystal and molecular structure of the compound (μ-H)(μ-eta 1 -C==N(H)(t-C 4 H 9 ))Os 3 (CO) 10 has been determined by X-ray crystallographic methods. The compound crystallizes in the centrosymmetric monoclinic space group P2 1 /n[C/sub 2h/ 5 ]:a = 13.651 (4) A, b = 9.156 (4) A, c = 18.275 (5) A, β = 111.42 (2) 0 , V = 2126.3 (25) A 3 , Z = 4, rho/sub calcd/ = 2.92 g cm -3 . A uniform triangular cluster of three osmium atoms contains ten linear carbonyl groups and a μ-eta 1 -C==N(H)(t-C 4 H 9 ) iminyl ligand. The carbon atom of the iminyl ligand symmetrically bridges one osmium-osmium bond, as is shown by the internuclear separations Os(2)-C(11) = 2.066 (8) A and Os(3)-C(11) = 2.043 (8) A. The iminyl bond, C(11)-N, is double with the C-N distance being 1.298 (10) A

  17. Microstructural differences between two Zr(C,N) coatings revealed by analytical transmission electron microscopy

    International Nuclear Information System (INIS)

    Dörfel, Ilona; Rooch, Heidemarie; Österle, Werner

    2012-01-01

    The microstructures of two samples of a Zr(C,N) coating on steel, which unexpectedly differed in their tribological properties, were investigated by analytical transmission electron microscopy. The samples were produced by a cathodic arc evaporation process in two commercial coating devices under similar coating conditions with the exception of the number of Zr targets. The source of the differing tribological properties of the samples was detected by analytical transmission electron microscopy (TEM) methods energy-dispersive X-ray spectroscopy (EDX), energy filtering TEM (EFTEM), electron diffraction, high resolution electron microscopy, and high angel annular dark field. The TEM preparation and the results of the TEM investigations are shown in detail. The origin of the unexpected behavior was determined to be a nano-scale multilayer structure that existed only in the tribologically superior specimen. EDX and EFTEM investigations indicated enrichment in oxygen at the interface between coating and steel substrate in the tribologically inferior sample. Findings of the microstructural configuration were obtained by taking a closer look at the structure and comparing the results of the several analytical TEM techniques. This allows the allocation of the concentration fluctuations in N, C, and Zr to the two thickness fractions of the nano multilayers and a local correlation of the identified minority phase Zr 3 (C,N) 4 to the higher N content in the narrower type of the multilayer fraction of the sample with the excellent tribological properties. The minority phase Zr 3 (C,N) 4 is randomly distributed in the sample with the defective tribological properties. Coating conditions are not topic of this work, but after discussion of the TEM results, the fact that one of the coating devices worked with one Zr target and the other one with two, could be identified as cause for the formation of the nano multilayer structure in the sample with the superior tribological

  18. Transition Metal Catalyzed Synthesis of Carboxylic Acids, Imines, and Biaryls

    DEFF Research Database (Denmark)

    Santilli, Carola; Madsen, Robert

    the carboxylate.  Manganese catalyzed radical Kumada-type reaction between aryl halidesand aryl Grignard reagents. The reaction between aryl halides and aryl Grignard reagents catalyzed by MnCl2 has been extended to several methyl-substituted aryl iodide reagents byperforming the reaction at 120 ˚C in a microwave...... oven (Scheme ii). A limitation of the heterocoupling process is the concomitant dehalogenation of the aryl halide and homocoupling of the Grignard reagent leading low to moderate yields of the desired heterocoupling product. The mechanism of the cross-coupling process was investigated by performing two...

  19. TRANSITION METAL CATALYZED ATOM TRANSFER RADICAL POLYMERIZATION. (R826735)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  20. Transition metal catalyzed synthesis of medicinally relevant molecules

    Indian Academy of Sciences (India)

    Rakeshwar Bandichhor

    by executing contemporary strategies to manufacture the products. ... manufacturing of the goods right from commodity mate- rials to very ... The first one: How to design? The second ... Production of materials can be transformed into highly.

  1. Metal Catalyzed Fusion: Nuclear Active Environment vs. Process

    Science.gov (United States)

    Chubb, Talbot

    2009-03-01

    To achieve radiationless dd fusion and/or other LENR reactions via chemistry: some focus on environment of interior or altered near-surface volume of bulk metal; some on environment inside metal nanocrystals or on their surface; some on the interface between nanometal crystals and ionic crystals; some on a momentum shock-stimulation reaction process. Experiment says there is also a spontaneous reaction process.

  2. Corporate Bonds in Denmark

    DEFF Research Database (Denmark)

    Tell, Michael

    2015-01-01

    Corporate financing is the choice between capital generated by the corporation and capital from external investors. However, since the financial crisis shook the markets in 2007–2008, financing opportunities through the classical means of financing have decreased. As a result, corporations have...... to think in alternative ways such as issuing corporate bonds. A market for corporate bonds exists in countries such as Norway, Germany, France, the United Kingdom and the United States, while Denmark is still behind in this trend. Some large Danish corporations have instead used foreign corporate bonds...... markets. However, NASDAQ OMX has introduced the First North Bond Market in December 2012 and new regulatory framework came into place in 2014, which may contribute to a Danish based corporate bond market. The purpose of this article is to present the regulatory changes in Denmark in relation to corporate...

  3. Degradation of Paracetamol by Photolysis Using C-N-codoped TiO2

    OpenAIRE

    Vanny Yulia Safitri; Adlis Santoni; Diana Vanda Wellia; Khoiriah Khoiriah; Safni Safni

    2017-01-01

    Paracetamol is generally used as analgesic and antipyretic drugs. Contamination paracetamol in the environment can occur because of waste material disposal from production site and immediate disposal of household that cause water pollution. Paracetamol is degraded by photolysis method under irradiation 10 watt UV-light (λ=365 nm), visible-light (Philips LED 13 watt 1400 lux) and solar-light with and without addition C-N-codoped TiO2catalyst. The solution is analyzed by UV-Vis spectrophotomete...

  4. Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity.

    Science.gov (United States)

    Balakrishna, Bugga; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton

    2016-07-18

    Iridium(I) complexes with phosphine-phosphite ligands efficiently catalyze the enantioselective hydrogenation of diverse seven-membered C=N-containing heterocyclic compounds (eleven examples; up to 97 % ee). The P-OP ligand L3, which incorporates an ortho-diphenyl substituted octahydrobinol phosphite fragment, provided the highest enantioselectivities in the hydrogenation of most of the heterocyclic compounds studied. The observed stereoselection was rationalized by means of DFT calculations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Plutonium diffusion in advanced fuels (U,Pu)(C,O) and (U,Pu)(C,N)

    International Nuclear Information System (INIS)

    Bradbury, M.H.; Matzke, H.

    1983-01-01

    The self-diffusion of 238 Pu was measured in an oxicarbide (U,Pu)(C,O) and a carbonitride (U,Pu) (C,N). The activation enthalpies were 447 and 347 kJ mol -1 , respectively. The carbonitrides were confirmed to fall into three classes: carbide-like compositions with less than 30% nitrogen in the metalloid lattice, nitride-like composition with more than 70% nitrogen and with reduced atomic mobilities, and carbonitrides with about 50% nitrogen showing an intermediate behavior. The oxicarbide showed diffusion coefficients slightly larger than those of pure carbides

  6. C/N and other Elemental Ratios of Chondritic Porous IDPS and a Fluffy Concordia Micrometeorite

    Science.gov (United States)

    Smith, T.; Nakamura-Messenger, K.; Messenger, S.; Keller, L. P.; Khodja, H.; Raepsaet, C.; Wirick, S.; Flynn, G. J.; Taylor, S.; Engrand, C.; hide

    2013-01-01

    Chondritic porous interplanetary dust particles (CP-IDPs) may be cometary in origin [1], as may ultracarbona-ceous (UCAMMs) [2] and 'fluffy' [3] micrometeorites from the Concordia collection. They are all rich in organics, which can rim grains and may have helped glue grains together during accretion [4]. The organics also contain nitrogen the input of which to Earth has potential biological importance. We report C/N ratios, and other properties of CP-IDPs and a Concordia fluffy microme-teorite.

  7. Bond markets in Africa

    Directory of Open Access Journals (Sweden)

    Yibin Mu

    2013-07-01

    Full Text Available African bond markets have been steadily growing in recent years, but nonetheless remain undeveloped. African countries would benefit from greater access to financing and deeper financial markets. This paper compiles a unique set of data on government securities and corporate bond markets in Africa. It then applies an econometric model to analyze the key determinants of African government securities market and corporate bond market capitalization. Government securities market capitalization is directly related to better institutions and interest rate volatility, and inversely related to smaller fiscal deficits, higher interest rate spreads, exchange rate volatility, and current and capital account openness. Corporate bond market capitalization is directly linked to economic size, the level of development of the economy and financial markets, better institutions, and interest rate volatility, and inversely related to higher interest rate spreads and current account openness. Policy implications follow.

  8. Handbook of wafer bonding

    CERN Document Server

    Ramm, Peter; Taklo, Maaike M V

    2011-01-01

    Written by an author and editor team from microsystems companies and industry-near research organizations, this handbook and reference presents dependable, first-hand information on bonding technologies.In the first part, researchers from companies and institutions around the world discuss the most reliable and reproducible technologies for the production of bonded wafers. The second part is devoted to current and emerging applications, including microresonators, biosensors and precise measuring devices.

  9. Diffusion bonding techniques

    International Nuclear Information System (INIS)

    Peters, R.D.

    1978-01-01

    The applications of diffusion bonding at the General Electric Neutron Devices Department are briefly discussed, with particular emphasis on the gold/gold or gold/indium joints made between metallized alumina ceramic parts in the vacuum switch tube and the crystal resonator programs. Fixtures which use the differential expansion of dissimilar metals are described and compared to one that uses hydraulic pressure to apply the necessary bonding force

  10. ΛcN interaction from lattice QCD and its application to Λc hypernuclei

    Science.gov (United States)

    Miyamoto, Takaya; Aoki, Sinya; Doi, Takumi; Gongyo, Shinya; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Iritani, Takumi; Ishii, Noriyoshi; Kawai, Daisuke; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji

    2018-03-01

    The interaction between Λc and a nucleon (N) is investigated by employing the HAL QCD method in the (2 + 1)-flavor lattice QCD on a (2.9fm) 3 volume at mπ ≃ 410 , 570 , 700 MeV. We study the central potential in S10 channel as well as central and tensor potentials in S31-3D1 channel, and find that the tensor potential for Λc N is negligibly weak and central potentials in both S10 and S31-3D1 channels are almost identical with each other except at short distances. Phase shifts and scattering lengths calculated with these potentials show that the interaction of Λc N system is attractive and has a similar strength in S10 and S31 channels at low energies (i.e. the kinetic energy less than about 40 MeV). While the attractions are not strong enough to form two-body bound states, our results lead to a possibility to form Λc hypernuclei for sufficiently large atomic numbers (A). To demonstrate this, we derive a single-folding potential for Λc hypernuclei from the Λc-nucleon potential obtained in lattice QCD, and find that Λc hypernuclei can exist for A ≥ 12 with the binding energies of a few MeV. We also estimate the Coulomb effect for the Λc hypernuclei.

  11. Degradation of Paracetamol by Photolysis Using C-N-codoped TiO2

    Directory of Open Access Journals (Sweden)

    Vanny Yulia Safitri

    2017-11-01

    Full Text Available Paracetamol is generally used as analgesic and antipyretic drugs. Contamination paracetamol in the environment can occur because of waste material disposal from production site and immediate disposal of household that cause water pollution. Paracetamol is degraded by photolysis method under irradiation 10 watt UV-light (λ=365 nm, visible-light (Philips LED 13 watt 1400 lux and solar-light with and without addition C-N-codoped TiO2catalyst. The solution is analyzed by UV-Vis spectrophotometer at λ 200-400 nm. Optimum weight of C-N-codoped TiO2 catalyst obtained is 20 mg under UV-light photolysis. Paracetamol 4 mg/L is degraded 45.48% after 120 minutes under UV-light irradiation without catalyst, and increases to be 69.31% by using 20 mg catalyst. While degradation percentage of paracetamol is 16.96 % without catalyst, the percentage increases to be 34.29% after using 20 mg catalyst for 120 minutes photolysis under visible-light. Degradation of paracetamol by solar light achieves only 12.27% in absance of catalyst for 120 minutes irradiation, but it increases significantly until 70.39% in presence of 20 mg catalyst.

  12. Pasarela metálica sobre la C. N. III, Madrid-Valencia

    Directory of Open Access Journals (Sweden)

    Rodríguez-Borlado Olavarrieta, Ramiro

    1967-03-01

    Full Text Available The footbridge over the C. N. Ill , Madrid-Valencia road, near Madrid, enables pedestrians to cross the motor road where the latter runs between Moratalaz and Vallecas, without impeding the road traffic. The adoption of an elevated pass is convenient, since at this section the road runs along a deep trench. The structure of the footpath is a continuous metallic box girder, resting on five rectangular metal supports, and two end concrete abutments. The total length of the bridge is 100 m, and the width of the platform is 2.40 m. The project took one month to complete.La pasarela sobre la C. N. III, Madrid-Valencia, en la autopista de acceso a Madrid, permite el paso de peatones entre los barrios de Moratalaz y Vallecas sin interferir el tráfico rodado. La solución de paso superior resulta conveniente, ya que la autopista discurre en trinchera en el lugar de ubicación de esta obra. La estructura está formada por una viga metálica continua de sección en cajón, apoyada sobre cinco soportes rectangulares metálicos y dos estribos de hormigón armado. La obra tiene una longitud total de aproximadamente 100 m y el ancho de la plataforma es de 2,40 metros. El plazo de realización de la obra ha sido de un mes aproximadamente.

  13. Distinct features of C/N balance regulation in Prochlorococcus sp. strain MIT9313.

    Science.gov (United States)

    Domínguez-Martín, María Agustina; López-Lozano, Antonio; Rangel-Zúñiga, Oriol Alberto; Díez, Jesús; García-Fernández, José Manuel

    2018-02-01

    The abundance and significant contribution to global primary production of the marine cyanobacterium Prochlorococcus have made it one of the main models in marine ecology. Several conditions known to cause strong effects on the regulation of N-related enzymes in other cyanobacteria lacked such effect in Prochlorococcus. Prochlorococcus sp. strain MIT9313 is one of the most early-branching strains among the members of this genus. In order to further understand the C/N control system in this cyanobacterium, we studied the effect of the absence of three key elements in the ocean, namely N, P and Fe, as well as the effect of inhibitors of the N assimilation or photosynthesis on the N metabolism of this strain. Furthermore, we focused our work in the effect of ageing, as the age of cultures has clear effects on the regulation of some enzymes in Prochlorococcus. To reach this goal, expression of the main three regulators involved in N assimilation in cyanobacteria, namely ntcA, glnB and pipX, as well as that of icd (encoding for isocitrate dehydrogenase) were analysed. Our results show that the control of the main proteins involved in the C/N balance in strain MIT9313 differs from other model Prochlorococcus strains. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  14. AUTOBA: automation of backbone assignment from HN(C)N suite of experiments.

    Science.gov (United States)

    Borkar, Aditi; Kumar, Dinesh; Hosur, Ramakrishna V

    2011-07-01

    Development of efficient strategies and automation represent important milestones of progress in rapid structure determination efforts in proteomics research. In this context, we present here an efficient algorithm named as AUTOBA (Automatic Backbone Assignment) designed to automate the assignment protocol based on HN(C)N suite of experiments. Depending upon the spectral dispersion, the user can record 2D or 3D versions of the experiments for assignment. The algorithm uses as inputs: (i) protein primary sequence and (ii) peak-lists from user defined HN(C)N suite of experiments. In the end, one gets H(N), (15)N, C(α) and C' assignments (in common BMRB format) for the individual residues along the polypeptide chain. The success of the algorithm has been demonstrated, not only with experimental spectra recorded on two small globular proteins: ubiquitin (76 aa) and M-crystallin (85 aa), but also with simulated spectra of 27 other proteins using assignment data from the BMRB.

  15. Global biodiversity, stoichiometry and ecosystem function responses to human-induced C-N-P imbalances.

    Science.gov (United States)

    Carnicer, Jofre; Sardans, Jordi; Stefanescu, Constantí; Ubach, Andreu; Bartrons, Mireia; Asensio, Dolores; Peñuelas, Josep

    2015-01-01

    Global change analyses usually consider biodiversity as a global asset that needs to be preserved. Biodiversity is frequently analysed mainly as a response variable affected by diverse environmental drivers. However, recent studies highlight that gradients of biodiversity are associated with gradual changes in the distribution of key dominant functional groups characterized by distinctive traits and stoichiometry, which in turn often define the rates of ecosystem processes and nutrient cycling. Moreover, pervasive links have been reported between biodiversity, food web structure, ecosystem function and species stoichiometry. Here we review current global stoichiometric gradients and how future distributional shifts in key functional groups may in turn influence basic ecosystem functions (production, nutrient cycling, decomposition) and therefore could exert a feedback effect on stoichiometric gradients. The C-N-P stoichiometry of most primary producers (phytoplankton, algae, plants) has been linked to functional trait continua (i.e. to major axes of phenotypic variation observed in inter-specific analyses of multiple traits). In contrast, the C-N-P stoichiometry of higher-level consumers remains less precisely quantified in many taxonomic groups. We show that significant links are observed between trait continua across trophic levels. In spite of recent advances, the future reciprocal feedbacks between key functional groups, biodiversity and ecosystem functions remain largely uncertain. The reported evidence, however, highlights the key role of stoichiometric traits and suggests the need of a progressive shift towards an ecosystemic and stoichiometric perspective in global biodiversity analyses. Copyright © 2014 Elsevier GmbH. All rights reserved.

  16. Formation of Si-C-N ceramics from melamine-carbosilazane single source precursors

    International Nuclear Information System (INIS)

    Shatnawi, Mazin; Al-Mansi, Wafaa; Arafa, Isam

    2008-01-01

    A series of melamine-carbosilazane pre-ceramic macromolecules (Mel-CSZs) were prepared by the condensation of melamine with different organochlorosilanes (R x SiCl 4-x where R is CH 3 /C 6 H 5 and x is 1, 2 or 3) using pyridine as a solvent under nitrogen atmosphere. These melamine-based carbosilazane macromolecules (Mel-CSZs) were characterized by infrared spectroscopy (FT-IR), mass spectrometry (MS), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The backbone of the resulting Mel-CSZs consists of melamine and carbosilazane building blocks. Pyrolysis of these Mel-CSZs at 600 deg. C under nitrogen and vacuum afforded the corresponding silicon-based nonoxide carbonitride ceramics (Si-C-N). The microstructure and textural morphology of the resulting fine ceramic materials were examined using FT-IR, powder X-ray diffraction (XRD), and scanning electron microscopy (SEM). - Graphical abstract: Pyrolysis of the prepared melamine-organosilane macromolecules afforded Si-C-N ceramics with different textural morphology

  17. Oxidation and Tribological Behavior of Ti-B-C-N-Si Nanocomposite Films Deposited by Pulsed Unbalanced Magnetron Sputtering.

    Science.gov (United States)

    Jang, Jaeho; Heo, Sungbo; Kim, Wang Ryeol; Kim, Jun-Ho; Nam, Dae-Geun; Kim, Kwang Ho; Park, Ikmin; Park, In-Wook

    2018-03-01

    Quinary Ti-B-C-N-Si nanocomposite films were deposited onto AISI 304 substrates using a pulsed d.c. magnetron sputtering system. The quinary Ti-B-C-N-Si (5 at.%) film showed excellent tribological and wear properties compared with those of the Ti-B-C-N films. The steady friction coefficient of 0.151 and a wear rate of 2 × 10-6 mm3N-1m-1 were measured for the Ti-B-C-N-Si films. The oxidation behavior of Ti-B-C-N-Si nanocomposite films was systematically investigated using X-ray diffraction (XRD), and thermal analyzer with differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). It is concluded that the addition of Si into the Ti-B-C-N film improved the tribological properties and oxidation resistance of the Ti-B-C-N-Si films. The improvements are due to the formation of an amorphous SiOx phase, which plays a major role in the self-lubricant tribo-layers and oxidation barrier on the film surface or in the grain boundaries, respectively.

  18. Nb(C,N) precipitation kinetics in the bainite region of a low-carbon Nb-microalloyed steel

    International Nuclear Information System (INIS)

    Park, J.S.; Lee, Y.K.

    2007-01-01

    Nb(C,N) precipitation in the bainite region (580-660 deg. C) of a low-carbon Nb-microalloyed steel was investigated by electrical resistivity and transmission electron microscopy. Nb(C,N) particles started precipitating after 100-200 s at isothermal temperatures after bainite transformation and cementite formation, and precipitation finished in 1000-2000 s. The precipitation-time-temperature diagram of Nb(C,N) in the bainite region of a low-carbon microalloyed steel was a type of C-curve, with a nose temperature of about 615 deg. C

  19. METABOLIC ENGINEERING TO DEVELOP A PATHWAY FOR THE SELECTIVE CLEAVAGE OF CARBON-NITROGEN BONDS

    Energy Technology Data Exchange (ETDEWEB)

    John J. Kilbane III

    2003-12-01

    The objective of the project is to develop biochemical pathways for the selective cleavage of C-N bonds in molecules found in petroleum. The initial phase of the project will focus on the isolation or development of an enzyme capable of cleaving the C-N bond in aromatic amides, specifically 2-aminobiphenyl. The objective of the second phase of the research will be to construct a biochemical pathway for the selective removal of nitrogen from carbazole by combining the carA genes from Sphingomonas sp. GTIN11 with the gene(s) encoding an appropriate amidase. The objective of the final phase of the project will be to develop derivative CN bond cleaving enzymes that have broader substrate ranges and to demonstrate the use of such strains to selectively remove nitrogen from petroleum. The project is on schedule and no major difficulties have been encountered. During the first year of the project (October, 2002-September, 2003) enrichment culture experiments have resulted in the isolation of promising cultures that may be capable of cleaving C-N bonds in aromatic amides, several amidase genes have been cloned and are currently undergoing directed evolution to obtain derivatives that can cleave C-N bonds in aromatic amides, and the carA genes from Sphingomonas sp. GTIN11, and Pseudomonas resinovorans CA10 were cloned in vectors capable of replicating in Escherichia coli. Future research will address expression of these genes in Rhodococcus erythropolis. Enrichment culture experiments and directed evolution experiments continue to be a main focus of research activity and further work is required to obtain an appropriate amidase that will selectively cleave C-N bonds in aromatic substrates. Once an appropriate amidase gene is obtained it must be combined with genes encoding an enzyme capable of converting carbazole to 2'aminobiphenyl-2,3-diol: specifically carA genes. The carA genes from two sources have been cloned and are ready for construction of C-N bond cleavage

  20. Effects of wildfires on ash Carbon, Nitrogen and C/N ratio in Mediterranean forests

    Science.gov (United States)

    Pereira, P.; Ubeda, X.; Martin, D. A.

    2009-04-01

    Carbon (C) and Nitrogen(N) are key nutrients in ecosystems health and the more affected by fire temperatures, because of their low temperatures of volatilization. After a wildfire, due higher temperatures reached, a great amount of C and N can be evacuated from the ecosystems and the percentage of C and N not vaporized is concentrated in ashes. Hence, the study of ash C and N is of major importance because will be linked with the capacity of ecosystem recuperation. The aim of this work is study the C, and C/N of three wildfires occurred in Mediterranean forests dominated by Quercus suber and Pinus pinea in Portugal. In the first wildfire, named "Quinta do Conde", we collected 30 samples, in the second, "Quinta da Areia", 32 samples and the third, "Casal do Sapo" 40 samples To estimate the consequences of wildfires in the parameters in study, we collected several samples of unburned litter near burned areas, composed by the same vegetation. The results showed that wildfires induced in % of Total Carbon (%TC) ashes content a non significantly reduction in Quinta do Conde plot (at a pPinus pinaster samples decreasing thereafter especially after the 400°C. In %TN we identified a rise in both species reducing abruptly at 450°C. C/N ratio decrease importantly after the 150°C. Theses results showed us that wildfires can have different effects C and N litter resources, depending on the severity and temperature reached. Crossing the results obtained in laboratory simulations with the samples collected in wildfires we will have an idea about the severity and temperature occurred in each wildfire. Overall, the lower severity were observed in Quinta do Conde plot and the higher in Casal do Sapo plot, being Quinta da Areia in a middle position. The C and N levels after a wildfire will determine the capacity of landscape recuperation and according the data obtained this will be higher in Quinta do Conde plot and lesser in Casal do Sapo plot. These hypothesis will be confirmed

  1. High-frequency fire alters C : N : P stoichiometry in forest litter.

    Science.gov (United States)

    Toberman, Hannah; Chen, Chengrong; Lewis, Tom; Elser, James J

    2014-07-01

    Fire is a major driver of ecosystem change and can disproportionately affect the cycling of different nutrients. Thus, a stoichiometric approach to investigate the relationships between nutrient availability and microbial resource use during decomposition is likely to provide insight into the effects of fire on ecosystem functioning. We conducted a field litter bag experiment to investigate the long-term impact of repeated fire on the stoichiometry of leaf litter C, N and P pools, and nutrient-acquiring enzyme activities during decomposition in a wet sclerophyll eucalypt forest in Queensland, Australia. Fire frequency treatments have been maintained since 1972, including burning every 2 years (2yrB), burning every 4 years (4 yrB) and no burning (NB). C : N ratios in freshly fallen litter were 29-42% higher and C : P ratios were 6-25% lower for 2 yrB than NB during decomposition, with correspondingly lower 2yrB N : P ratios (27-32) than for NB (34-49). Trends in litter soluble and microbial N : P ratios were similar to the overall litter N : P ratios across fire treatments. Consistent with these, the ratio of activities for N-acquiring to P-acquiring enzymes in litter was higher for 2 yrB than NB, whereas 4 yrB was generally intermediate between 2 yrB and NB. Decomposition rates of freshly fallen litter were significantly lower for 2 yrB (72 ± 2% mass remaining at the end of experiment) than for 4 yrB (59 ± 3%) and NB (62 ± 3%), a difference that may be related to effects of N limitation, lower moisture content, and/or litter C quality. Results for older mixed-age litter were similar to those for freshly fallen litter although treatment differences were less pronounced. Overall, these findings show that frequent fire (2 yrB) decoupled N and P cycling, as manifested in litter C : N : P stoichiometry and in microbial biomass N : P ratio and enzymatic activities. Furthermore, these data indicate that fire induced a transient shift to N-limited ecosystem conditions

  2. Romanian government bond market

    Directory of Open Access Journals (Sweden)

    Cornelia POP

    2012-12-01

    Full Text Available The present paper aims to present the level of development reached by Romanian government bond market segment, as part of the country financial market. The analysis will be descriptive (the data series available for Romania are short, based on the secondary data offered by the official bodies involved in the process of issuing and trading the Romanian government bonds (Romanian Ministry of Public Finance, Romanian National Bank and Bucharest Stock Exchange, and also on secondary data provided by the Federation of European Stock Exchanges.To enhance the market credibility as a benchmark, a various combination of measures is necessary; among these measures are mentioned: the extension of the yield curve; the issuance calendars in order to improve transparency; increasing the disclosure of information on public debt issuance and statistics; holding regular meetings with dealers, institutional investors and rating agencies; introducing a system of primary dealers; establishing a repurchase (repo market in the government bond market. These measures will be discussed based on the evolution presented inside the paper.The paper conclude with the fact that, until now, the Romanian government bond market did not provide a benchmark for the domestic financial market and that further efforts are needed in order to increase the government bond market transparency and liquidity.

  3. Interstellar hydrogen bonding

    Science.gov (United States)

    Etim, Emmanuel E.; Gorai, Prasanta; Das, Ankan; Chakrabarti, Sandip K.; Arunan, Elangannan

    2018-06-01

    This paper reports the first extensive study of the existence and effects of interstellar hydrogen bonding. The reactions that occur on the surface of the interstellar dust grains are the dominant processes by which interstellar molecules are formed. Water molecules constitute about 70% of the interstellar ice. These water molecules serve as the platform for hydrogen bonding. High level quantum chemical simulations for the hydrogen bond interaction between 20 interstellar molecules (known and possible) and water are carried out using different ab-intio methods. It is evident that if the formation of these species is mainly governed by the ice phase reactions, there is a direct correlation between the binding energies of these complexes and the gas phase abundances of these interstellar molecules. Interstellar hydrogen bonding may cause lower gas abundance of the complex organic molecules (COMs) at the low temperature. From these results, ketenes whose less stable isomers that are more strongly bonded to the surface of the interstellar dust grains have been observed are proposed as suitable candidates for astronomical observations.

  4. Nucleophilicities of Lewis Bases B and Electrophilicities of Lewis Acids A Determined from the Dissociation Energies of Complexes B⋯A Involving Hydrogen Bonds, Tetrel Bonds, Pnictogen Bonds, Chalcogen Bonds and Halogen Bonds.

    Science.gov (United States)

    Alkorta, Ibon; Legon, Anthony C

    2017-10-23

    It is shown that the dissociation energy D e for the process B⋯A = B + A for 250 complexes B⋯A composed of 11 Lewis bases B (N₂, CO, HC≡CH, CH₂=CH₂, C₃H₆, PH₃, H₂S, HCN, H₂O, H₂CO and NH₃) and 23 Lewis acids (HF, HCl, HBr, HC≡CH, HCN, H₂O, F₂, Cl₂, Br₂, ClF, BrCl, H₃SiF, H₃GeF, F₂CO, CO₂, N₂O, NO₂F, PH₂F, AsH₂F, SO₂, SeO₂, SF₂, and SeF₂) can be represented to good approximation by means of the equation D e = c ' N B E A , in which N B is a numerical nucleophilicity assigned to B, E A is a numerical electrophilicity assigned to A, and c ' is a constant, conveniently chosen to have the value 1.00 kJ mol -1 here. The 250 complexes were chosen to cover a wide range of non-covalent interaction types, namely: (1) the hydrogen bond; (2) the halogen bond; (3) the tetrel bond; (4) the pnictogen bond; and (5) the chalcogen bond. Since there is no evidence that one group of non-covalent interaction was fitted any better than the others, it appears the equation is equally valid for all the interactions considered and that the values of N B and E A so determined define properties of the individual molecules. The values of N B and E A can be used to predict the dissociation energies of a wide range of binary complexes B⋯A with reasonable accuracy.

  5. Safe and Liquid Mortgage Bonds

    DEFF Research Database (Denmark)

    Dick-Nielsen, Jens; Gyntelberg, Jacob; Lund, Jesper

    This paper shows that strict match pass-through funding of covered bonds provides safe and liquid mortgage bonds. Despite a 30% drop in house prices during the 2008 global crisis Danish mortgage bonds remained as liquid as most European government bonds. The Danish pass-through system effectively...... eliminates credit risk from the investor's perspective. Similar to other safe bonds, funding liquidity becomes the main driver of mortgage bond liquidity and this creates commonality in liquidity across markets and countries. These findings have implications for how to design a robust mortgage bond system...

  6. Dopamine receptors in pituitary adenomas: PET visualization with 11C-N-methylspiperone

    International Nuclear Information System (INIS)

    Muhr, C.; Bergstroem, M.L.; Lundberg, P.O.; Bergstroem, K.H.; Hartvig, P.; Lundqvist, H.; Antoni, G.; Langstroem, B.

    1986-01-01

    Two patients with pituitary tumors were examined with positron emission tomography (PET) after intravenous administration of 11C-N-methylspiperone. In repeat studies the patients were given 1 mg of intravenous haloperidol prior to the administration of the radioligand to block the dopamine receptors. High uptakes of the radiolabeled ligand were seen in one of the tumors. With haloperidol pretreatment the uptake was lower, probably mainly showing the remaining unspecific binding. The most marked uptake and the largest effect of haloperidol pretreatment was seen in a patient with a hormonally active prolactinoma. Dopamine receptor binding in pituitary tumors can be demonstrated in vivo with PET, and quantification of this binding is possible using a compartmental model. This technique may be useful in improving our understanding of the variable response to medical treatment of prolactinomas with dopamine agonists as well as in the prediction of the effect of such treatment

  7. Room-temperature ferromagnetism observed in C-/N-/O-implanted MgO single crystals

    Science.gov (United States)

    Li, Qiang; Ye, Bonian; Hao, Yingping; Liu, Jiandang; Zhang, Jie; Zhang, Lijuan; Kong, Wei; Weng, Huimin; Ye, Bangjiao

    2013-01-01

    MgO single crystals were implanted with 70 keV C/N/O ions at room temperature with respective doses of 2 × 1016 and 2 × 1017 ions/cm2. All samples with high-dose implantation showed room temperature hysteresis in magnetization loops. Magnetization and slow positron annihilation measurements confirmed that room temperature ferromagnetism in O-implanted samples was attributed to the presence of Mg vacancies. Furthermore, the introduction of C or N played more effective role in ferromagnetic performance than Mg vacancies. Moreover, the magnetic moment possibly occurred from the localized wave function of unpaired electrons and the exchange interaction formed a long-range magnetic order.

  8. Magnetic resonance in the diagnosis of C.N.S. disorders

    International Nuclear Information System (INIS)

    Antunovic, V.; Samardzic, M.; Levic, Z.; Dragutinovic, G.

    2001-01-01

    An introduction of CT and MRI methods resulted in revolutionary changes in the imaging of central nervous systems diseases. The reliability of the use of MRI in the diagnosis of neurological disorders enabled accurate localization, visualization, and anatomical relation and determination of the nature of different pathological processes in the brain and spinal cord. In the past, it had been very difficult to make such precise diagnosis. A result of this fact is a great improvement of treatment of the patients with C.N.S. disorders. The other advantages are excellent possibilities for an assessment of the results of the therapeutical procedures and accurate follow-up of the cases. This was the reason that the authors wanted to make a review of the MRI and clinical characteristic of different neurological and neurosurgical conditions from their wide clinical practice and to determine and illustrate the importance of MRI in the diseases of the brain and spinal cord. (orig.)

  9. Humic acid batteries derived from vermicomposts at different C/N ratios

    Science.gov (United States)

    Shamsuddin, R. M.; Borhan, A.; Lim, W. K.

    2017-06-01

    Humic acid is a known fertilizer derived from decomposed organic matters. Organic wastes are normally landfilled for disposal which had contributed negatively to the environment. From waste-to-wealth perspective, such wastes are potential precursors for compost fertilizers. When worms are added into a composting process, the process is termed as vermicomposting. In this work, humic acid from vermicompost derived from campus green wastes was developed into a battery. This adds value proposition to compost instead of being traditionally used solely as soil improver. This research work aimed to study the correlation between electrical potential generated by humic acid at different Carbon to Nitrogen (C/N) ratios of vermicompost at 20, 25, 30 and 35. The temperature and pH profiles of composting revealed that the compost was ready after 55 days. The humic acid was extracted from compost via alkaline extraction followed by precipitation in a strong acid. The extracted humic acid together with other additives were packed into a compartment and termed as vermibattery. Another set of battery running only on the additives was also prepared as a control. The net voltage produced by a single vermibattery cell with Zn and PbO electrodes was in the range of 0.31 to 0.44 V with compost at C/N ratio of 30 gave the highest voltage. The battery can be connected in series to increase the voltage generation. Quality assessment on the compost revealed that the final carbon content is between 16 to 23 wt%, nitrogen content of 0.4 to 0.5 wt%, humic acid yield of 0.7 to 1.5 wt% and final compost mass reduction of 10 to 35 wt%. Composting campus green wastes carries multi-fold benefits of reducing labour requirement, generating fertilizer for campus greenery and green battery construction.

  10. Land-use induced dynamics of C, N and P in mountain soils of South Ecuador

    Science.gov (United States)

    Hamer, U.; Potthast, K.; Makeschin, F.

    2009-04-01

    The mountain rainforest region in South Ecuador is characterised by sites subjected to forest clearing by slash burn for pasture production. Repeated burning of pastures is a common management practice in South Ecuador. With ongoing pasture age bracken (Pteridium arachnoideum) outcompetes the pasture grass (Setaria sphacelata), pastures are abandoned and a vegetation succession develops. Along a land-use gradient (natural forest, young and old pasture, abandoned pasture with successional vegetation) the dynamics of C, N and P in the mountain soils were investigated. The study sites were located close to the "Estacion Científica San Francisco", about halfway between the province capitals Loja and Zamora, in the Cordillera Real, an eastern range of the South Ecuadorian Andes at about 2000 m above sea level. The mean annual air temperature is 15.3°C with an average annual rainfall of 2176 mm. The land-use change induced an increase of total P in the top soil (0-30 cm) of young and old pastures. An increase in SOC stocks in the top soil of the old pasture was combined with an increase in the proportion of NaOH extractable organic P. In the young pasture soil the mineralization of SOC and the amounts of microbial biomass C, N and P were highest. In 0-5 cm depth gross N mineralization and gross NH4 consumption rates were significantly higher in the young pasture compared to forest and abandoned pasture. Thus, the initial increase in microbial activity after forest to pasture conversion seems to slow down with increasing pasture age. Burning on the abandoned pasture site induced a short-term and short-lived increase in gross N mineralization rates. First results indicate that the land-use induced changes in mineralization rates were connected with changes in the microbial community structure.

  11. Synthesis and structural characterization of a new aluminum oxycarbonitride, Al5(O, C, N)4

    International Nuclear Information System (INIS)

    Inuzuka, Haruya; Kaga, Motoaki; Urushihara, Daisuke; Nakano, Hiromi; Asaka, Toru; Fukuda, Koichiro

    2010-01-01

    A new aluminum oxycarbonitride, Al 5 (O x C y N 4-x-y ) (x∼1.4 and y∼2.1), has been synthesized and characterized by X-ray powder diffraction, transmission electron microscopy and electron energy loss spectroscopy (EELS). The title compound was found to be hexagonal with space group P6 3 /mmc, Z=2, and unit-cell dimensions a=0.328455(6) nm, c=2.15998(3) nm and V=0.201805(6) nm 3 . The atom ratios O:C:N were determined by EELS. The final structural model, which is isomorphous with that of (Al 4.4 Si 0.6 )(O 1.0 C 3.0 ), showed the positional disordering of one of the three types of Al sites. The maximum-entropy method-based pattern fitting (MPF) method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. The reliability indices calculated from the MPF were R wp =6.94% (S=1.22), R p =5.34%, R B =1.35% and R F =0.76%. The crystal was an inversion twin. Each twin-related individual was isostructural with Al 5 C 3 N (space group P6 3 mc, Z=2). - Graphical abstract: A new oxycarbonitride discovered in the Al-O-C-N system, Al 5 (O 1.4 C 2.1 N 0.5 ). The crystal is an inversion twin, and hence the structure is represented by a split-atom model. The three-dimensional electron density distributions are determined by the maximum-entropy methods-based pattern fitting, being consistent with the disordered structural model. Display Omitted

  12. C,N-2-[(Dimethylamino)methyl]phenylplatinum Complexes Functionalized with C60 as Macromolecular Building Blocks

    NARCIS (Netherlands)

    Koten, G. van; Meijer, M.D.; Wolf, E. de; Lutz, M.H.; Spek, A.L.; Klink, G.P.M. van

    2001-01-01

    The application of platinum(II) complexes based on the N,N-dimethylbenzylamine ligand (abbreviated as H-C,N) in macromolecular synthesis was demonstrated. Two cationic C,N-platinum moieties were linked with a 4,4'-bipyridine bridge, giving [{C6H4(CH2NMe2)-2-Pt(PPh3)}2(4,4'-bpy)](BF4)2 (2), the

  13. Hydrogen bonded supramolecular materials

    CERN Document Server

    Li, Zhan-Ting

    2015-01-01

    This book is an up-to-date text covering topics in utilizing hydrogen bonding for constructing functional architectures and supramolecular materials. The first chapter addresses the control of photo-induced electron and energy transfer. The second chapter summarizes the formation of nano-porous materials. The following two chapters introduce self-assembled gels, many of which exhibit unique functions. Other chapters cover the advances in supramolecular liquid crystals and the versatility of hydrogen bonding in tuning/improving the properties and performance of materials. This book is designed

  14. Continuing bonds and place.

    Science.gov (United States)

    Jonsson, Annika; Walter, Tony

    2017-08-01

    Where do people feel closest to those they have lost? This article explores how continuing bonds with a deceased person can be rooted in a particular place or places. Some conceptual resources are sketched, namely continuing bonds, place attachment, ancestral places, home, reminder theory, and loss of place. The authors use these concepts to analyze interview material with seven Swedes and five Britons who often thought warmly of the deceased as residing in a particular place and often performing characteristic actions. The destruction of such a place, by contrast, could create a troubling, haunting absence, complicating the deceased's absent-presence.

  15. Rh(III)-Catalyzed Synthesis of N-Unprotected Indoles from Imidamides and Diazo Ketoesters via C-H Activation and C-C/C-N Bond Cleavage.

    Science.gov (United States)

    Qi, Zisong; Yu, Songjie; Li, Xingwei

    2016-02-19

    The synthesis of N-unprotected indoles has been realized via Rh(III)-catalyzed C-H activation/annulation of imidamides with α-diazo β-ketoesters. The reaction occurs with the release of an amide coproduct, which originates from both the imidamide and the diazo as a result of C═N cleavage of the imidamide and C-C(acyl) cleavage of the diazo. A rhodacyclic intermediate has been isolated and a plausible mechanism has been proposed.

  16. FeF(3) catalyzed cascade C-C and C-N bond formation: synthesis of differentially substituted triheterocyclic benzothiazole functionalities under solvent-free condition.

    Science.gov (United States)

    Atar, Amol B; Jeong, Yeon Tae

    2014-05-01

    A series of diverse polyfunctionalized triheterocyclic benzothiazoles were easily prepared in excellent yields via the Biginelli reaction of 2-aminobenzothiazole with substituted benzaldehydes and α-methylene ketones using FeF(3) as an expeditious catalyst under solvent-free conditions. The protocol provides a practical and straightforward approach toward highly functionalized triheterocyclic benzothiazole derivatives in excellent yields. The reaction was conveniently promoted by FeF(3) and the catalyst could be recovered easily after the reaction and reused without any loss of its catalytic activity. The advantageous features of this methodology are high atom economy, operational simplicity, shorter reaction time, convergence, and facile automation.

  17. Sidewall Covalent Functionalization of Single Wall Carbon Nanotubes through C-N Bond Forming Reactions of Fluoronanotubes with Urea, Guanidine and Thiourea (Preprint)

    National Research Council Canada - National Science Library

    Pulikkathara, Merlyn X; Khabashesku, Valery N

    2007-01-01

    ...) as starting materials in the reactions with either urea, thiourea, or guanidine. Through these reactions, the derivatives with terminal amide and heteroamide groups on the nanotube sidewalls have been prepared...

  18. Lithium salt of N,N-dimethylsalicylamide in pyridine and pyridine-water solutions. NMR study on the internal rotation about the C-N bond

    Energy Technology Data Exchange (ETDEWEB)

    Gryff-Keller, A; Szczecinski, P [Politechnika Warszawska (Poland)

    1981-01-01

    NMR spectra of the title compound in pyridine and pyridine-water mixtures have been measured at various temperatures. The dependence of internal rotation rate and of chemical shift difference between N-CH/sub 3/ signals on the solvent composition has been discussed with reference to structure of the solution investigated.

  19. Mechanisms of Bond Cleavage during Manganese Oxide and UV Degradation of Glyphosate: Results from Phosphate Oxygen Isotopes and Molecular Simulations.

    Science.gov (United States)

    Jaisi, Deb P; Li, Hui; Wallace, Adam F; Paudel, Prajwal; Sun, Mingjing; Balakrishna, Avula; Lerch, Robert N

    2016-11-16

    Degradation of glyphosate in the presence of manganese oxide and UV light was analyzed using phosphate oxygen isotope ratios and density function theory (DFT). The preference of C-P or C-N bond cleavage was found to vary with changing glyphosate/manganese oxide ratios, indicating the potential role of sorption-induced conformational changes on the composition of intermediate degradation products. Isotope data confirmed that one oxygen atom derived solely from water was incorporated into the released phosphate during glyphosate degradation, and this might suggest similar nucleophilic substitution at P centers and C-P bond cleavage both in manganese oxide- and UV light-mediated degradation. The DFT results reveal that the C-P bond could be cleaved by water, OH - or • OH, with the energy barrier opposing bond dissociation being lowest in the presence of the radical species, and that C-N bond cleavage is favored by the formation of both nitrogen- and carbon-centered radicals. Overall, these results highlight the factors controlling the dominance of C-P or C-N bond cleavage that determines the composition of intermediate/final products and ultimately the degradation pathway.

  20. Changes in organic matter (C, N and P) of soils under subsistence agriculture; Mudancas na materia organica (C, N e P) de solos sob agricultura de subsistencia

    Energy Technology Data Exchange (ETDEWEB)

    Fraga, Vania da Silva

    2002-10-01

    Productivities under low input or subsistence agriculture are strongly dependent on nutrient supply from soil organic matter mineralization (SOM). Few results are available and they indicate declines in soil fertility under this agricultural system, particularly in SOM levels. In an attempt to understand the nature and extent of these declines we selected ten sites having cultivated areas adjacent with areas under native vegetation at the same slope position, in the states of Pernambuco and Paraiba. Based on the management history, in situ observations and {sup 137} Cs concentrations to evaluate soil erosion, the areas were divided in four groups having different levels of soil use intensity: Undisturbed Dry Forest (UDF), Disturbed Dry Forest (DDF), Preserved-Cultivated (PC) and Degraded-Cultivated (DC). In the first part of this work we quantified total organic C, N and P, in addition to {sup 137} Cs concentrations, under the assumption that changes in organic nutrient contents among land use groups would be greater than the within group variability, thus enabling inferences at a regional scale. Concentrations of C and N in DC were 50% smaller (P<0.05) than those in UDF. Of these losses, 43% were attributed to erosion processes while 57% were related to SOM mineralization. The Po/Pi ratio under UDF was 1.47 and decreased to o.82 in PC and DC (P<0.05). The effects of changes in land use were greater when considering the 0-7.5 cm layer rather than the 0-15 cm layer. Interrelationships between C and P in the dry forest areas suggested that P availability and water controlled C accumulation in these soils. In the second part of this work two experiments were conducted. The first one included a preliminary phase, comparing four methods in their capacity to detect changes in soil organic matter quality. Eighty samples that maximized the variability in C content of the whole set (n=160), were analyzed for: C in the light SOM fraction (density < 1 kg dm{sup -3}) (C-lf); C

  1. The spatial relationship between human activities and C, N, P, S in soil based on landscape geochemical interpretation.

    Science.gov (United States)

    Yu, Huan; He, Zheng-Wei; Kong, Bo; Weng, Zhong-Yin; Shi, Ze-Ming

    2016-04-01

    The development and formation of chemical elements in soil are affected not only by parent material, climate, biology, and topology factors, but also by human activities. As the main elements supporting life on earth system, the C, N, P, S cycles in soil have been altered by human activity through land-use change, agricultural intensification, and use of fossil fuels. The present study attempts to analyze whether and how a connection can be made between macroscopical control and microcosmic analysis, to estimate the impacts of human activities on C, N, P, S elements in soil, and to determine a way to describe the spatial relationship between C, N, P, S in soil and human activities, by means of landscape geochemical theories and methods. In addition, the disturbances of human activities on C, N, P, S are explored through the analysis of the spatial relationship between human disturbed landscapes and element anomalies, thereby determining the diversified rules of the effects. The study results show that the rules of different landscapes influencing C, N, P, S elements are diversified, and that the C element is closely related to city landscapes; furthermore, the elements N, P, and S are shown to be closely related to river landscapes; the relationships between mine landscapes and the elements C, N, P, S are apparent; the relationships between the elements C, N, P, S and road landscapes are quite close, which shows that road landscapes have significant effects on these elements. Therefore, the conclusion is drawn that the response mechanism analysis of human disturbance and soil chemical element aggregation is feasible, based on the landscape geochemical theories and methods. The spatial information techniques, such as remote sensing and geographic information systems, are effective for research on soil element migration.

  2. Integration of European Bond Markets

    DEFF Research Database (Denmark)

    Christiansen, Charlotte

    2014-01-01

    I investigate the time variation in the integration of EU government bond markets. The integration is measured by the explanatory power of European factor portfolios for the individual bond markets for each year. The integration of the government bond markets is stronger for EMU than non-EMU memb......I investigate the time variation in the integration of EU government bond markets. The integration is measured by the explanatory power of European factor portfolios for the individual bond markets for each year. The integration of the government bond markets is stronger for EMU than non...

  3. Savanna Vegetation Dynamics and their Influence on Landscape-Scale C, N, and P Biogeochemistry

    Science.gov (United States)

    Boutton, T. W.; Zhou, Y.; Wu, X. B.; Hyodo, A.

    2017-12-01

    Soil carbon (C), nitrogen (N) and phosphorus (P) cycles are strongly interlinked and controlled through biological processes, and the P cycle is further controlled through geochemical processes. In grasslands, savannas, and other dryland ecosystems throughout the world, woody plant encroachment often modifies soil C, N, and P stores, although it remains unknown if these three elements change proportionally in response to this vegetation change. We evaluated proportional changes and spatial patterns of soil organic C (SOC), total N (TN), and total P (TP) following woody encroachment by taking spatially-explicit soil cores to a depth of 1.2 m across a subtropical savanna landscape which has undergone encroachment by trees and shrubs during the past century in the Rio Grande Plains, USA. SOC and TN were coupled with respect to increasing magnitudes and spatial patterns along the soil profile following woody encroachment. In contrast, TP increased slower than SOC and TN in surface soils, but faster in subsurface soils. Spatial patterns of TP strongly resembled those of vegetation cover throughout the soil profile, but differed from those of SOC and TN, especially in deeper portions of the profile. The encroachment of woody plants into this P-limited ecosystem resulted in the accumulation of proportionally less soil P compared to C and N in surface soils; however, proportionally more P accrued in deeper portions of the profile beneath woody patches where alkaline soil pH and high carbonate concentrations would favor precipitation of P as relatively insoluble calcium phosphates. Structural equation models (SEM) showed that fine root density explained the greatest proportion of variation in SOC, TN, and TP in the surface soil. In deeper portions of the profile, SEM showed that silt and clay explained much of the variation in SOC and TN, while soil pH strongly controlled TP. This imbalanced relationship highlights that the relative importance of biotic vs. abiotic

  4. Amalgam shear bond strength to dentin using different bonding agents.

    Science.gov (United States)

    Vargas, M A; Denehy, G E; Ratananakin, T

    1994-01-01

    This study evaluated the shear bond strength of amalgam to dentin using five different bonding agents: Amalgambond Plus, Optibond, Imperva Dual, All-Bond 2, and Clearfil Liner Bond. Flat dentin surfaces obtained by grinding the occlusal portion of 50 human third molars were used for this study. To contain the amalgam on the tooth surface, cylindrical plastic molds were placed on the dentin and secured with sticky wax. The bonding agents were then applied according to the manufacturers' instructions or light activated and Tytin amalgam was condensed into the plastic molds. The samples were thermocycled and shear bond strengths were determined using an Instron Universal Testing Machine. Analysis by one-way ANOVA indicated significant difference between the five groups (P < 0.05). The bond strength of amalgam to dentin was significantly higher with Amalgambond Plus using the High-Performance Additive than with the other four bonding agents.

  5. Trends in Strong Chemical Bonding in C2, CN, CN-, CO, N2, NO, NO+, and O2

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2017-01-01

    The strong chemical bonds between C, N, and O play a central role in chemistry, and their formation and cleavage are critical steps in very many catalytic processes. The close-lying molecular orbital energies and large correlation effects pose a challenge to electronic structure calculations and ...

  6. Metal-Ligand Bonds of Second- and Third-Row d-Block Metals Characterized by Density Functional Theory

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2009-01-01

    This paper presents systematic data for 200 neutral diatomic molecules ML (M is it second- or third-row d-block metal and L = H, F, Cl, Br, I, C, N, O, S, or Se) Computed with the density functionals TPSSh and BP86. With experimental Structures and bond enthalpies available for many of these mole...

  7. Convertible bond valuation focusing on Chinese convertible bond market

    OpenAIRE

    Yang, Ke

    2010-01-01

    This paper mainly discusses the methods of valuation of convertible bonds in Chinese market. Different from common convertible bonds in European market, considering the complicate features of Chinese convertible bond, this paper represents specific pricing approaches for pricing convertible bonds with different provisions along with the increment of complexity of these provisions. More specifically, this paper represents the decomposing method and binomial tree method for pricing both of Non-...

  8. Comparison of shear bond strength of the stainless steel metallic brackets bonded by three bonding systems

    Directory of Open Access Journals (Sweden)

    Mehdi Ravadgar

    2013-09-01

    Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP in the second group, TBXT composite was bonded with the conventional method of acid etching and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.

  9. Comparison of shear bond strength of the stainless steel metallic brackets bonded by three bonding systems

    Directory of Open Access Journals (Sweden)

    Mehdi Ravadgar

    2013-09-01

    Full Text Available Introduction: In orthodontic treatment, it is essential to establish a satisfactory bond between enamel and bracket. After the self-etch primers (SEPs were introduced for the facilitation of bracket bonding in comparison to the conventional etch-and-bond system, multiple studies have been carried out on their shear bond strengths which have yielded different results. This study was aimed at comparing shear bond strengths of the stainless steel metallic brackets bonded by three bonding systems. Methods: In this experimental in vitro study, 60 extracted human maxillary premolar teeth were randomly divided into three equal groups: in the first group, Transbond XT (TBXT light cured composite was bonded with Transbond plus self-etching primer (TPSEP; in the second group, TBXT composite was bonded with the conventional method of acid etching; and in the third group, the self cured composite Unite TM bonding adhesive was bonded with the conventional method of acid etching. In all the groups, Standard edgewise-022 metallic brackets (American Orthodontics, Sheboygan, USA were used. Twenty-four hours after the completion of thermocycling, shear bond strength of brackets was measured by Universal Testing Machine (Zwick. In order to compare the shear bond strengths of the groups, the variance analysis test (ANOVA was adopted and p≤0.05 was considered as a significant level. Results: Based on megapascal, the average shear bond strength for the first, second, and third groups was 8.27±1.9, 9.78±2, and 8.92±2.5, respectively. There was no significant difference in the shear bond strength of the groups. Conclusions: Since TPSEP shear bond strength is approximately at the level of the conventional method of acid etching and within the desirable range for orthodontic brackets shear bond strength, applying TPSEP can serve as a substitute for the conventional method of etch and bond, particularly in orthodontic operations.

  10. Kinetics of high-temperature oxidation of (Ti,Ta)(C,N)-based cermets

    International Nuclear Information System (INIS)

    Chicardi, E.; Córdoba, J.M.; Gotor, F.J.

    2016-01-01

    Highlights: • The kinetic of high-temperature oxidation of (Ti,Ta)(C,N)-Co cermets was studied. • A parabolic oxidation kinetic was determined in cermets between 700 °C and 1200 °C. • This parabolic kinetic behaviour is due to the existence of a protective layer. • The protective layer formed was a complex Ti_xTa_1_−_xO_2 oxide with rutile structure. • The oxidation rate is controlled by the Ti and O_2 diffusion through the Ti_xTa_1_−_xO_2. - Abstract: The kinetics of the high-temperature oxidation of titanium–tantalum carbonitride-based cermets with different Ti/Ta ratios was studied. Isothermal oxidation tests were conducted under static air for 48 h at temperatures between 700 °C and 1200 °C. The oxidation satisfied the parabolic kinetics, characteristic of the existence of a protective oxide layer. The apparent activation energy suggests the rate-controlling process during oxidation is the simultaneous inward and outward diffusion of oxygen and titanium, respectively, through the formed protective layer, consisting mainly of a rutile phase. A higher Ta(V) content in the rutile decreased the oxygen diffusivity due to the reduction of oxygen vacancy concentration.

  11. High temperature oxidation resistance of (Ti,Ta)(C,N)-based cermets

    International Nuclear Information System (INIS)

    Chicardi, E.; Córdoba, J.M.; Gotor, F.J.

    2016-01-01

    Highlights: • Cermets based on (Ti,Ta)(C,N) were oxidized in air between 800 and 1100 °C for 48 h. • The substitution of Ti by Ta resulted in a high resistance to oxidation. • A protective layer of cobalt titanates at the surface of cermets was observed. • A rutile phase in which some Ti"4"+ are replaced by Ta"5"+ was detected. • This replacement decelerated the oxygen diffusion into the cermets. - Abstract: Cermets based on titanium–tantalum carbonitride were oxidized in static air between 800 °C and 1100 °C for 48 h. The thermogravimetric and microstructural study showed an outstanding reduction in the oxidation of more than 90% when the Ta content was increased. In cermets with low Ta content, the formation of a thin CoO/Co_3O_4 outer layer tends to disappear by reacting with the underlying rutile phase, which emerges at the surface. However, in cermets with higher Ta content, the formation of an external titanate layer, observed even at a low temperature, appears to prevent the oxygen diffusion and the oxidation progression.

  12. The C-N-cycle additional channels through the combinative resonances phenomenon (CIRs)

    International Nuclear Information System (INIS)

    Gafarov, A.A.; Khugaev, A.V.; Koblik, Yu.N.

    2000-01-01

    The Combinative Isobar Resonances are shown as new channels of the C-N-cycle. In 1994 we had firstly used our new developed approach - the M ethod of Spectra Superposition p roviding measurement of d σ (E) /d ω at every accelerator (including colliders ) with highest energy-resolution depending (for thin targets) only on energy-resolution of detectors [1-5]. Rarely one can read about this[6].That time the Excitation Function (EF) of the l2 C(p,p o ) elastic scattering with energy-resolution ∼10 keV for E p =16 ∼ 19.5 MeV of cyclotron protons by using the multi angular magnetic spectrograph as detector was measured.It was wonderful when after data processing so surprised curve with a saturated structure of overlapped resonances - fluctuations of cross-section (Fig.1) was obtained (in contrary to EF obtained by M.J. LeVine and P.D.Parker in 60 Th at the tandem generator [7]). The precise agreement between well known thresholds and nuclear levels with the brightest anomalies in our curve and not disappearing fine structures in full-events curve (stat.err. 3%) - all this, only, had satisfied me that these structures are not just a joke of statistics. Fig.l shows a comparison of our obtained EF with thresholds and levels of well known product-nuclei

  13. Transport properties of dilute α -Fe (X ) solid solutions (X = C, N, O)

    Science.gov (United States)

    Schuler, Thomas; Nastar, Maylise

    2016-06-01

    We extend the self-consistent mean field (SCMF) method to the calculation of the Onsager matrix of Fe-based interstitial solid solutions. Both interstitial jumps and substitutional atom-vacancy exchanges are accounted for. A general procedure is introduced to split the Onsager matrix of a dilute solid solution into intrinsic cluster Onsager matrices, and extract from them flux-coupling ratios, mobilities, and association-dissociation rates for each cluster. The formalism is applied to vacancy-interstitial solute pairs in α -Fe (V X pairs, X = C, N, O), with ab initio based thermodynamic and kinetic parameters. Convergence of the cluster mobility contribution gives a controlled estimation of the cluster definition distance, taking into account both its thermodynamic and kinetic properties. Then, the flux-coupling behavior of each V X pair is discussed, and qualitative understanding is achieved from the comparison between various contributions to the Onsager matrix. Also, the effect of low-activation energy second-nearest-neighbor interstitial solute jumps around a vacancy on these results is addressed.

  14. Rapid top-down regulation of plant C:N:P stoichiometry by grasshoppers in an Inner Mongolia grassland ecosystem.

    Science.gov (United States)

    Zhang, Guangming; Han, Xingguo; Elser, James J

    2011-05-01

    Understanding how food web interactions alter the processing of limiting nutrient elements is an important goal of ecosystem ecology. An experiment manipulating densities of the grasshopper Oedaleus asiaticus was performed to assess top-down effects of grasshoppers on C:N:P stoichiometry of plants and soil in a grassland ecosystem in Inner Mongolia (China). With increased grasshopper feeding, plant biomass declined fourfold, litter abundance increased 30%, and the plant community became dominated by non-host plant taxa. Plant stoichiometric response depended on whether or not the plant was a grasshopper host food species: C:N and C:P ratios increased with increasing grasshopper density (GD) for host plants but decreased in non-host plants. These data suggest either a direct transfer of grasshopper-recycled nutrients from host to non-host plants or a release of non-host plants from nutrient competition with heavily grazed host plants. Litterfall C:N and C:P decreased across moderate levels of grasshopper density but no effects on C:N:P stoichiometry in the surface soil were observed, possibly due to the short experimental period. Our observations of divergent C:N:P stoichiometric response among plant species highlight the important role of grasshopper herbivory in regulating plant community structure and nutrient cycling in grassland ecosystems.

  15. Simulating the Refractive Index Structure Constant ({C}_{n}^{2}) in the Surface Layer at Antarctica with a Mesoscale Model

    Science.gov (United States)

    Qing, Chun; Wu, Xiaoqing; Li, Xuebin; Tian, Qiguo; Liu, Dong; Rao, Ruizhong; Zhu, Wenyue

    2018-01-01

    In this paper, we introduce an approach wherein the Weather Research and Forecasting (WRF) model is coupled with the bulk aerodynamic method to estimate the surface layer refractive index structure constant (C n 2) above Taishan Station in Antarctica. First, we use the measured meteorological parameters to estimate C n 2 using the bulk aerodynamic method, and second, we use the WRF model output parameters to estimate C n 2 using the bulk aerodynamic method. Finally, the corresponding C n 2 values from the micro-thermometer are compared with the C n 2 values estimated using the WRF model coupled with the bulk aerodynamic method. We analyzed the statistical operators—the bias, root mean square error (RMSE), bias-corrected RMSE (σ), and correlation coefficient (R xy )—in a 20 day data set to assess how this approach performs. In addition, we employ contingency tables to investigate the estimation quality of this approach, which provides complementary key information with respect to the bias, RMSE, σ, and R xy . The quantitative results are encouraging and permit us to confirm the fine performance of this approach. The main conclusions of this study tell us that this approach provides a positive impact on optimizing the observing time in astronomical applications and provides complementary key information for potential astronomical sites.

  16. [The Consiglio Nazionale delle Ricerche (National Research Council - C. N. R.) and the Italian medicine during fascism].

    Science.gov (United States)

    Canali, S

    2001-01-01

    The foundation of C. N. R. in 1923 created in Italy a new public system of research, different from the university one. During fascism, the contribution of C. N. R. to the development of medical research in Italy was very poor. This was mainly due to insufficient means: structures and money. Moreover, the scientists who carried on medical research within the C. N. R. were the same who already held strong university positions, which mean a complete dependence on the academic system. The ideology of fascism also contribute to the weakness of the Italian medical research promoted by the C. N. R.. According to fascist view, science, and for its nature and aims above all medicine, had to addressed to technical, practical, or much better, social achievements. Consequently, the policy of medical research at the C.N.R. was to improve social or political medicine, mainly hygiene. This was in harmony with the demographic policy, which means the policy of reinforcement of "Italian race", and positive eugenics that fascism tried to pursue.

  17. Cryptococcus neoformans in the koala (Phascolarctos cinereus): colonization by C n. var. gattii and investigation of environmental sources.

    Science.gov (United States)

    Krockenberger, M B; Canfield, P J; Malik, R

    2002-06-01

    This study is the one in a series looking at the relationship among Cryptococcus neoformans var. gattii, koalas and the environment. The koala was used as a natural biological sampler in an attempt to understand the dynamics of C. neoformans var. gattii in Australian environments. Evidence of asymptomatic nasal and skin colonization for extended periods by large numbers of C. n. var. gattii was obtained and geographical factors assessed. The key finding was the ability of koalas to amplify numbers of C. n. var. gattii in certain environments. Koalas were not found to be obligatory for the survival of the organism in all environments. Geographical factors alone could not explain differing rates of nasal and skin colonization in koalas in different environments. A strong association between healthy koalas and C. n. var. gattii was confirmed and C n. var. gattii was isolated from novel sources, including the turpentine gum tree (Syncarpia glomulifera), tallowwood (Eucalyptus microcorys) and flooded gum (E. grandis). It seems likely that as yet undiscovered environmental sources of C. n. var. gattii exist in eastern Australia. Further investigation of host, environmental and organism factors integral to the hostpathogen relationship will assist an understanding of the progression from colonization to tissue invasion and cryptococcosis in all species.

  18. Search for {theta}(1540){sup +} in the exclusive proton-induced reaction p+C(N){yields}{theta}{sup +} anti K{sup 0}+C(N) at the energy of 70 GeV

    Energy Technology Data Exchange (ETDEWEB)

    Antipov, Yu.M.; Artamonov, A.V.; Batarin, V.A.; Eroshin, O.V. [Inst. for High Energy Physics, Protvino (Russian Federation); Kolgamov, V.Z. [Inst. of Theoretical and Experimental Physics, Moscow (RU)] [and others

    2004-09-01

    A search for narrow {theta}(1540){sup +}, a candidate for pentaquark baryon with positive strangeness, has been performed in an exclusive proton-induced reaction p+C(N){yields}{theta}{sup +} anti K{sup 0}+C(N) on carbon nuclei or quasifree nucleons at E{sub beam}=70 GeV ({radical}(s)=11.5 GeV) studying nK{sup +}, pK{sub S}{sup 0} and pK{sub L}{sup 0} decay channels of {theta}(1540){sup +} in four different final states of the {theta}{sup +} anti K{sup 0} system. In order to assess the quality of the identification of the final states with neutron or K {sup 0} {sub L}, we reconstructed {lambda}(1520){yields}nK{sup 0}{sub S} and {phi}{yields}K{sup 0}{sub L}K{sup 0}{sub S} decays in the calibration reactions p+C(N){yields}{lambda}(1520)K{sup +}+C(N) and p+C(N){yields}p{phi}+C(N). We found no evidence for narrow pentaquark peak in any of the studied final states and decay channels. Assuming that the production characteristics of the {theta}{sup +} anti K{sup 0} system are not drastically different from those of the {lambda}(1520)K{sup +} and p{phi} systems, we established upper limits on the cross-section ratios {sigma}({theta}{sup +} anti K{sup 0})/{sigma}({lambda}(1520)K{sup +})< 0.02 and {sigma}({theta}{sup +} anti K{sup 0})/{sigma}(p{phi})< 0.15 at 90% CL and a preliminary upper limit for the forward hemisphere cross-section {sigma}({theta}{sup +} anti K{sup 0})< 30 nb/nucleon. (orig.)

  19. Why are Hydrogen Bonds Directional?

    Indian Academy of Sciences (India)

    century and most chemists appear to think of 'chemi- cal bond' as ..... These complexes, in their global min- ima, have ... taneously act as hydrogen bond donor and acceptor displaying ... also has a local minimum, which is linear and similar to.

  20. Bond yield curve construction

    Directory of Open Access Journals (Sweden)

    Kožul Nataša

    2014-01-01

    Full Text Available In the broadest sense, yield curve indicates the market's view of the evolution of interest rates over time. However, given that cost of borrowing it closely linked to creditworthiness (ability to repay, different yield curves will apply to different currencies, market sectors, or even individual issuers. As government borrowing is indicative of interest rate levels available to other market players in a particular country, and considering that bond issuance still remains the dominant form of sovereign debt, this paper describes yield curve construction using bonds. The relationship between zero-coupon yield, par yield and yield to maturity is given and their usage in determining curve discount factors is described. Their usage in deriving forward rates and pricing related derivative instruments is also discussed.

  1. Corporate Hybrid Bonds

    OpenAIRE

    Ahlberg, Johan; Jansson, Anton

    2016-01-01

    Hybrid securities do not constitute a new phenomenon in the Swedish capital markets. Most commonly, hybrids issued by Swedish real estate companies in recent years are preference shares. Corporate hybrid bonds on the other hand may be considered as somewhat of a new-born child in the family of hybrid instruments. These do, as all other hybrid securities, share some equity-like and some debt-like characteristics. Nevertheless, since 2013 the interest for the instrument has grown rapidly and ha...

  2. Hybrid Cat Bonds

    OpenAIRE

    Barrieu, Pauline; Louberge, Henri

    2009-01-01

    Natural catastrophes attract regularly the attention of media and have become a source of public concern. From a financial viewpoint, natural catastrophes represent idiosyncratic risks, diversifiable at the world level. But for reasons analyzed in this paper reinsurance markets are unable to cope with this risk completely. Insurance-linked securities, such as cat bonds, have been issued to complete the international risk transfer process, but their development is disappointing so far. This pa...

  3. Biogas Improvement by Adding Australian Zeolite During the Anaerobic Digestion of C:N Ratio Adjusted Swine Manure

    DEFF Research Database (Denmark)

    Wijesinghe, D. Thushari N.; Dassanayake, Kithsiri B.; Sommer, Sven G.

    2018-01-01

    Abstract: Maintenance of the ideal carbon: nitrogen (C:N) ratio with a minimum level of TAN is a key challenge for achieving maximum potential CH4 production through the anaerobic digestion process of agricultural waste such as swine manure. Biogas production can be enhanced by adding zeolite...... into the anaerobic digestion medium. However, the effects of zeolite addition to C:N ratio adjusted feedstock, on the digester performance is unknown. The objectives of this study were to investigate the effect of Australian zeolite on anaerobic digestion of swine manure with a C:N ratio adjusted to 30...... and to determine the optimal zeolite application rate to achieve the best performance. The Australian zeolite significantly enhanced CH4 production and reduced the lag phase of anaerobic digestion in batch production. The optimal addition rate of zeolite was appeared to be around 40 g/L. The better digester...

  4. 15C-15F Charge Symmetry and the 14C(n,γ)15C Reaction Puzzle

    International Nuclear Information System (INIS)

    Timofeyuk, N.K.; Thompson, I.J.; Baye, D.; Descouvemont, P.; Kamouni, R.

    2006-01-01

    The low-energy reaction 14 C(n,γ) 15 C provides a rare opportunity to test indirect methods for the determination of neutron capture cross sections by radioactive isotopes versus direct measurements. It is also important for various astrophysical scenarios. Currently, puzzling disagreements exist between the 14 C(n,γ) 15 C cross sections measured directly, determined indirectly, and calculated theoretically. To solve this puzzle, we offer a strong test based on a novel idea that the amplitudes for the virtual 15 C→ 14 C+n and the real 15 F→ 14 O+p decays are related. Our study of this relation, performed in a microscopic model, shows that existing direct and some indirect measurements strongly contradict charge symmetry in the 15 C and 15 F mirror pair. This brings into question the experimental determinations of the astrophysically important (n,γ) cross sections for short-lived radioactive targets

  5. Effect of molybdenum content on the microstructure and mechanical properties of ultra-fine Ti(C, N) based cermets

    International Nuclear Information System (INIS)

    Zhang Xiaobo; Liu Ning; Rong Chunlan

    2008-01-01

    Effect of molybdenum as a sintering aid on the microstructure and mechanical properties of Ti(C, N)-20WC-15Co-Mo-2.5C system cermets was studied in this work. Ti(C, N)-based cermets with variable Mo content were fabricated by conventional powder metallurgy techniques. The microstructure was investigated by means of X-ray diffractometer, scanning electron microscopy in combination with an energy dispersive spectrometer. Mechanical properties such as transverse rupture strength, fracture toughness and hardness were also measured, respectively. Results revealed that finer grains, as well as larger amount of bright core/grey shell structures could be obtained by increasing the molybdenum content. Transverse rupture strength and hardness were also improved. Fracture toughness, however, was decreased with the increase of Mo content. The optimized content of Mo was chosen as 15 wt.% for Ti(C, N)-20WC-15Co-Mo-2.5C system cermets

  6. Annealing temperature effects on the magnetic properties and induced defects in C/N/O implanted MgO

    Science.gov (United States)

    Li, Qiang; Ye, Bonian; Hao, Yingping; Liu, Jiandang; Kong, Wei; Ye, Bangjiao

    2013-02-01

    Virgin MgO single crystals were implanted with 70 keV C/N/O ions at room temperature to a dose of 2 × 1017/cm2. After implantation the samples showed room temperature hysteresis in magnetization loops. The annealing effects on the magnetic properties and induced defects of these samples were determined by vibrating sample magnetometer and positron annihilation spectroscopy, respectively. The experimental results indicate that ferromagnetism can be introduced to MgO single crystals by doping with C, N or introduction of Mg related vacancy defects. However, the Mg vacancies coexistence with C or N ions in the C-/N-implanted samples may play a negative role in magnetic performance in these MgO samples. The rapid increase of magnetic moment in O-implanted sample is attributed to the formation of new type of vacancy defects.

  7. Effective Biological Nitrogen Removal Treatment Processes for Domestic Wastewaters with Low C/N Ratios: A Review

    DEFF Research Database (Denmark)

    Sun, Sheng-Peng; Pellicer i Nàcher, Carles; Merkey, Brian

    2010-01-01

    with high efficiency and relative low costs. However, the removal of nitrogen from domestic wastewater with a low carbon/nitrogen (C/N) ratio can often be limited in municipal wastewater plants (WWTPs) because organic carbon is a limiting factor for denitrification. The present work reviews innovative....... They can effectively be used for nitrogen removal from low C/N domestic wastewater without external carbon addition. In addition, conventional and alternative carbon sources for enhanced biological nitrogen removal were also reviewed. We conclude that alternative carbon sources such as wine distillery...... at large scale for nitrogen removal from low C/N domestic wastewater, (2) further method logic are explored to introduce the Anammox pathway into domestic wastewater treatment, and (3) alternative carbon sources are explored and optimized for supporting the denitrification. With these efforts, cost...

  8. Nursery Culture Performance of Litopenaeus vannamei with Probiotics Addition and Different C/N Ratio Under Laboratory Condition

    Directory of Open Access Journals (Sweden)

    WIDANARNI

    2010-09-01

    Full Text Available Application of bioflocs technology and probiotics has improved water quality and production of Pacific white shrimp (Litopenaeus vannamei culture. This experiment was to verify the effect of probiotic bacteria addition and different carbon:nitrogen (C:N ratio on water quality and performance of Pacific white shrimp nursery culture. Nursery culture was carried out for 25 days in an aquarium under laboratory condition with stock density of one Post-Larvae (PL (poslarval per liter (24 PL/aquarium of PL16 shrimp. Different C:N ratio resulted a significant difference on shrimp production performance. Treatment of 10 C:N ratio demonstrated the best shrimp growth (20.37 + 0.48% per day in weight and 6.05 + 0.41% per day in length, harvesting yield (1180 + 62 g/m3 and feed efficiency (121 + 6%. There was however no significant difference observed between treatments in water quality.

  9. Nursery Culture Performance of Litopenaeus vannamei with Probiotics Addition and Different C/N Ratio Under Laboratory Condition

    Directory of Open Access Journals (Sweden)

    WIDANARNI

    2010-09-01

    Full Text Available Application of bioflocs technology and probiotics has improved water quality and production of Pacific white shrimp (Litopenaeus vannamei culture. This experiment was to verify the effect of probiotic bacteria addition and different carbon:nitrogen (C:N ratio on water quality and performance of Pacific white shrimp nursery culture. Nursery culture was carried out for 25 days in an aquarium under laboratory condition with stock density of one Post-Larvae (PL (poslarval per liter (24 PL/aquarium of PL16 shrimp. Different C:N ratio resulted a significant difference on shrimp production performance. Treatment of 10 C:N ratio demonstrated the best shrimp growth (20.37 ± 0.48% per day in weight and 6.05 ± 0.41% per day in length, harvesting yield (1180 ± 62 g/m3 and feed efficiency (121 ± 6%. There was however no significant difference observed between treatments in water quality.

  10. Optimal Investment in Structured Bonds

    DEFF Research Database (Denmark)

    Jessen, Pernille; Jørgensen, Peter Løchte

    The paper examines the role of structured bonds in the optimal portfolio of a small retail investor. We consider the typical structured bond essentially repacking an exotic option and a zero coupon bond, i.e. an investment with portfolio insurance. The optimal portfolio is found when the investment...

  11. 46 CFR Sec. 10 - Bonds.

    Science.gov (United States)

    2010-10-01

    ... REPAIRS UNDER NATIONAL SHIPPING AUTHORITY MASTER LUMP SUM REPAIR CONTRACT-NSA-LUMPSUMREP Sec. 10 Bonds. (a... awarded work and the furnishing of the performance and payment bonds required by Article 14 of the NSA... of the NSA-LUMPSUMREP Contract, the standard form of individual performance bond (Standard Form 25...

  12. Quantitative effects of composting state variables on C/N ratio through GA-aided multivariate analysis

    International Nuclear Information System (INIS)

    Sun Wei; Huang, Guo H.; Zeng Guangming; Qin Xiaosheng; Yu Hui

    2011-01-01

    It is widely known that variation of the C/N ratio is dependent on many state variables during composting processes. This study attempted to develop a genetic algorithm aided stepwise cluster analysis (GASCA) method to describe the nonlinear relationships between the selected state variables and the C/N ratio in food waste composting. The experimental data from six bench-scale composting reactors were used to demonstrate the applicability of GASCA. Within the GASCA framework, GA searched optimal sets of both specified state variables and SCA's internal parameters; SCA established statistical nonlinear relationships between state variables and the C/N ratio; to avoid unnecessary and time-consuming calculation, a proxy table was introduced to save around 70% computational efforts. The obtained GASCA cluster trees had smaller sizes and higher prediction accuracy than the conventional SCA trees. Based on the optimal GASCA tree, the effects of the GA-selected state variables on the C/N ratio were ranged in a descending order as: NH 4 + -N concentration > Moisture content > Ash Content > Mean Temperature > Mesophilic bacteria biomass. Such a rank implied that the variation of ammonium nitrogen concentration, the associated temperature and the moisture conditions, the total loss of both organic matters and available mineral constituents, and the mesophilic bacteria activity, were critical factors affecting the C/N ratio during the investigated food waste composting. This first application of GASCA to composting modelling indicated that more direct search algorithms could be coupled with SCA or other multivariate analysis methods to analyze complicated relationships during composting and many other environmental processes. - Research Highlights: → A genetic algorithm aided stepwise cluster analysis method in food waste composting. → Nonlinear relationships between the selected state variables and the C/N ratio. → Introduced proxy tables save around 70% computational

  13. Quantitative effects of composting state variables on C/N ratio through GA-aided multivariate analysis

    Energy Technology Data Exchange (ETDEWEB)

    Sun Wei [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada); Huang, Guo H., E-mail: huangg@iseis.org [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada); MOE Key Laboratory of Regional Energy Systems Optimization, Sino-Canada Energy and Environmental Research Academy, North China Electric Power University, Beijing, 102206 (China); Zeng Guangming [MOE Key Laboratory of Environmental Biology and Pollution Control, College of Environmental Science and Engineering, Hunan University, Changsha, Hunan, 410082 (China); Qin Xiaosheng [School of Civil and Environmental Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Yu Hui [Faculty of Engineering and Applied Science, University of Regina, Regina, Saskatchewan, S4S 0A2 (Canada)

    2011-03-01

    It is widely known that variation of the C/N ratio is dependent on many state variables during composting processes. This study attempted to develop a genetic algorithm aided stepwise cluster analysis (GASCA) method to describe the nonlinear relationships between the selected state variables and the C/N ratio in food waste composting. The experimental data from six bench-scale composting reactors were used to demonstrate the applicability of GASCA. Within the GASCA framework, GA searched optimal sets of both specified state variables and SCA's internal parameters; SCA established statistical nonlinear relationships between state variables and the C/N ratio; to avoid unnecessary and time-consuming calculation, a proxy table was introduced to save around 70% computational efforts. The obtained GASCA cluster trees had smaller sizes and higher prediction accuracy than the conventional SCA trees. Based on the optimal GASCA tree, the effects of the GA-selected state variables on the C/N ratio were ranged in a descending order as: NH{sub 4}{sup +}-N concentration > Moisture content > Ash Content > Mean Temperature > Mesophilic bacteria biomass. Such a rank implied that the variation of ammonium nitrogen concentration, the associated temperature and the moisture conditions, the total loss of both organic matters and available mineral constituents, and the mesophilic bacteria activity, were critical factors affecting the C/N ratio during the investigated food waste composting. This first application of GASCA to composting modelling indicated that more direct search algorithms could be coupled with SCA or other multivariate analysis methods to analyze complicated relationships during composting and many other environmental processes. - Research Highlights: {yields} A genetic algorithm aided stepwise cluster analysis method in food waste composting. {yields} Nonlinear relationships between the selected state variables and the C/N ratio. {yields} Introduced proxy tables

  14. Ti2Al(C, N) Solid Solution Reinforcing TiAl-Based Composites: Evolution of a Core-Shell Structure, Interfaces, and Mechanical Properties.

    Science.gov (United States)

    Song, Xiaojie; Cui, Hongzhi; Han, Ye; Ding, Lei; Song, Qiang

    2018-05-16

    In this work, Ti 2 Al(C, N) solid solution with lamellar structure-enhanced TiAl matrix composites was synthesized by vacuum arc melting, using bulk g-C 3 N 4 , Ti, and Al powders as raw materials. The phases, microstructures, interfaces, and mechanical properties were investigated. MAX phase of Ti 2 Al(C, N) solid solution with lamellar structure was formed. During the melting process, first, C 3 N 4 reacted with Ti to form Ti(C, N) by Ti + C 3 N 4 → Ti(C, N). Then Ti 2 Al(C, N) was formed by a peritectic reaction of TiAl(l) + Ti(C, N)(s) → Ti 2 Al(C, N). C 3 N 4 is the single reactant that provides C and N simultaneously to final product of Ti 2 Al(C, N). The interfaces of TiAl//Ti 2 Al(C, N) and Ti 2 Al(C, N)//Ti(C, N) display perfect orientation relationships with low misfit values. The microhardness, compressive strength, and strain of best-performing TiAl-10 mol % Ti 2 Al(C, N) composite were improved by 45%, 55.7%, and 50% compared with the TiAl alloy, respectively. Uniformly distributed Ti 2 Al(C, N) and unreacted Ti(C, N) particles contributed to the grain refinement and reinforcement of the TiAl matrix. Laminated tearing, particle pull-out, and the crack-arresting of Ti 2 Al(C, N) are crucial for the improvement in compressive strength and plasticity of the composites.

  15. The chemical bond in inorganic chemistry the bond valence model

    CERN Document Server

    Brown, I David

    2016-01-01

    The bond valence model is a version of the ionic model in which the chemical constraints are expressed in terms of localized chemical bonds formed by the valence charge of the atoms. Theorems derived from the properties of the electrostatic flux predict the rules obeyed by both ionic and covalent bonds. They make quantitative predictions of coordination number, crystal structure, bond lengths and bond angles. Bond stability depends on the matching of the bonding strengths of the atoms, while the conflicting requirements of chemistry and space lead to the structural instabilities responsible for the unusual physical properties displayed by some materials. The model has applications in many fields ranging from mineralogy to molecular biology.

  16. Effects of Land Use Change on C-N cycling: Microbes Matter.

    Science.gov (United States)

    Hofmockel, K.

    2012-12-01

    Large swaths of the terrestrial landscape have been altered by human actions on Earth's biophysical systems, resulting in the homogenization of Earth's biota, while simultaneously increasing greenhouse gases and reactive nitrogen (N). This is especially poignant in grasslands that have been largely replaced by managed agricultural systems with substantial N inputs, or by unmanaged grasslands that are dominated by exotic species. Impacted ecosystems may be important for global C models, because they comprise a major portion of the global land area, terrestrial NPP and the world's soil C stocks. This research investigates how anthropogenic changes in plant community composition and agricultural management systems influence the composition and function of microbial communities that mediate key aspects of belowground C and N cycling and storage. Data from agroecology and grassland climate change experiments are used to illustrate how microbial responses can have important implications for large scale coupling of C and N cycles. In this study exotic plant species significantly decreased root inputs, causing shifts in microbial community composition, including both specific taxa and functional guilds of bacteria. By contrast, climate change (precipitation manipulation) caused functional responses (increased carbon and phosphorus cycling) that were not detected in the microbial community composition. Mycorrhizal fungi in managed systems were responsive to both root biomass and nitrogen inputs, significantly altering hydrolytic enzyme activity and aggregate turnover. Collectively small-scale processes can alter the ecosystem biogeochemical cycles. Together theses results suggest that linking microbial communities to coupled C-N cycles may have important implications for terrestrial C cycling feedbacks that are an integral part of the anthropocene era.

  17. Physical properties of layered homologous RE-B-C(N) compounds

    International Nuclear Information System (INIS)

    Mori, Takao; Zhang Fuxiang; Leithe-Jasper, Andreas

    2004-01-01

    Physical properties of a series of homologous RE-B-C(N) B 12 cluster compounds REB 17 CN, REB 22 C 2 N, and REB 28.5 C 4 (RE=Er,Ho) were investigated. The structures of the compounds are layer-like along the c-axis, with rare earth and B 6 octahedral layers separated by B 12 icosahedral and C-B-C chain layers whose number increases successively from two B 12 layers for the REB 17 CN compound to four for the REB 28.5 C 4 compound. The rare earth atoms are configured in two triangular flat layers which are stacked on top of one another in AB stacking where the nearest-neighbor rare earth directions are the three atoms forming a triangle in the adjacent layer. The series of homologous compounds exhibit a spin glass transition with T f shifting in correspondence with variations of the basal plane lattice constants, consistent with the magnetic interaction being effective in the basal planes. The isothermal remanent magnetization shows a stretched exponential decay I m (t)∝ exp[-Ct -(1-n) ]. Exponents determined for the different homologous compounds were scaled as a function of T r =T/T f and found to follow the empirical dependency determined for typical spin glasses. It is indicated that a mixture of disorder originating from the partial occupancy of the rare earth sites and frustration of interactions due to the unique configuration is responsible for the manifestation of spin glass transitions in these homologous systems

  18. Synthesis of [14C]-62514, a radiolabelled derivative of erythromycin A, via [2-14C]N,N-dimethylethylenediamine

    International Nuclear Information System (INIS)

    Surber, B.W.; Baker, W.R.; Seif, L.

    1991-01-01

    The synthesis of [ 14 C]A-62514, 11-deoxy-11[carboxy(2-dimethylamino-[1- 14 C]ethyl)amino]-6-0-methyl-e rythromycin A 11,12-(cyclic ester), was performed in five steps. The key intermediate, [2- 14 C]N,N-dimethylethyl-enediamine, was obtained in 80% yield by reacting Eschenmoser's salt with K 14 CN and reducing the resulting [1- 14 C]N,N-dimethylglycinonitrile with H 2 and Raney Ni in methanol and ammonium hydroxide. The final product was obtained 97% radiochemically pure in an overall radiochemical yield of 14%, with a specific activity of 39 mCi/mmol. (author)

  19. Microwave electromagnetic properties of carbonyl iron particles and Si/C/N nano-powder filled epoxy-silicone coating

    International Nuclear Information System (INIS)

    Qing Yuchang; Zhou Wancheng; Luo Fa; Zhu Dongmei

    2010-01-01

    The electromagnetic characteristics of carbonyl iron particles and Si/C/N nano-powder filled epoxy-silicone coatings were studied. The reflection loss of the coatings exceeds -10 dB at 8-18 GHz and -9 dB at 2-18 GHz when the coating thickness is 1 and 3 mm, respectively. The dielectric and magnetic absorbers filled coatings possess excellent microwave absorption, which could be attributed to the proper incorporate of the multi-polarization mechanisms as well as strong natural resonance. It is feasible to develop the thin and wideband microwave absorbing coatings using carbonyl iron particles and Si/C/N nano-powder.

  20. Microwave electromagnetic properties of carbonyl iron particles and Si/C/N nano-powder filled epoxy-silicone coating

    Science.gov (United States)

    Qing, Yuchang; Zhou, Wancheng; Luo, Fa; Zhu, Dongmei

    2010-02-01

    The electromagnetic characteristics of carbonyl iron particles and Si/C/N nano-powder filled epoxy-silicone coatings were studied. The reflection loss of the coatings exceeds -10 dB at 8-18 GHz and -9 dB at 2-18 GHz when the coating thickness is 1 and 3 mm, respectively. The dielectric and magnetic absorbers filled coatings possess excellent microwave absorption, which could be attributed to the proper incorporate of the multi-polarization mechanisms as well as strong natural resonance. It is feasible to develop the thin and wideband microwave absorbing coatings using carbonyl iron particles and Si/C/N nano-powder.

  1. Rhodium(III)-Catalyzed Amidation of Unactivated C(sp(3) )-H Bonds.

    Science.gov (United States)

    Wang, He; Tang, Guodong; Li, Xingwei

    2015-10-26

    Nitrogenation by direct functionalization of C-H bonds represents an important strategy for constructing C-N bonds. Rhodium(III)-catalyzed direct amidation of unactivated C(sp(3) )-H bonds is rare, especially under mild reaction conditions. Herein, a broad scope of C(sp(3) )-H bonds are amidated under rhodium catalysis in high efficiency using 3-substituted 1,4,2-dioxazol-5-ones as the amide source. The protocol broadens the scope of rhodium(III)-catalyzed C(sp(3) )-H activation chemistry, and is applicable to the late-stage functionalization of natural products. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Hydrogen bonding in ionic liquids.

    Science.gov (United States)

    Hunt, Patricia A; Ashworth, Claire R; Matthews, Richard P

    2015-03-07

    Ionic liquids (IL) and hydrogen bonding (H-bonding) are two diverse fields for which there is a developing recognition of significant overlap. Doubly ionic H-bonds occur when a H-bond forms between a cation and anion, and are a key feature of ILs. Doubly ionic H-bonds represent a wide area of H-bonding which has yet to be fully recognised, characterised or explored. H-bonds in ILs (both protic and aprotic) are bifurcated and chelating, and unlike many molecular liquids a significant variety of distinct H-bonds are formed between different types and numbers of donor and acceptor sites within a given IL. Traditional more neutral H-bonds can also be formed in functionalised ILs, adding a further level of complexity. Ab initio computed parameters; association energies, partial charges, density descriptors as encompassed by the QTAIM methodology (ρBCP), qualitative molecular orbital theory and NBO analysis provide established and robust mechanisms for understanding and interpreting traditional neutral and ionic H-bonds. In this review the applicability and extension of these parameters to describe and quantify the doubly ionic H-bond has been explored. Estimating the H-bonding energy is difficult because at a fundamental level the H-bond and ionic interaction are coupled. The NBO and QTAIM methodologies, unlike the total energy, are local descriptors and therefore can be used to directly compare neutral, ionic and doubly ionic H-bonds. The charged nature of the ions influences the ionic characteristics of the H-bond and vice versa, in addition the close association of the ions leads to enhanced orbital overlap and covalent contributions. The charge on the ions raises the energy of the Ylp and lowers the energy of the X-H σ* NBOs resulting in greater charge transfer, strengthening the H-bond. Using this range of parameters and comparing doubly ionic H-bonds to more traditional neutral and ionic H-bonds it is clear that doubly ionic H-bonds cover the full range of weak

  3. Additional disulfide bonds in insulin

    DEFF Research Database (Denmark)

    Vinther, Tine N; Pettersson, Ingrid; Huus, Kasper

    2015-01-01

    The structure of insulin, a glucose homeostasis-controlling hormone, is highly conserved in all vertebrates and stabilized by three disulfide bonds. Recently, we designed a novel insulin analogue containing a fourth disulfide bond located between positions A10-B4. The N-terminus of insulin's B......-chain is flexible and can adapt multiple conformations. We examined how well disulfide bond predictions algorithms could identify disulfide bonds in this region of insulin. In order to identify stable insulin analogues with additional disulfide bonds, which could be expressed, the Cβ cut-off distance had...... in comparison to analogues with additional disulfide bonds that were more difficult to predict. In contrast, addition of the fourth disulfide bond rendered all analogues resistant to fibrillation under stress conditions and all stable analogues bound to the insulin receptor with picomolar affinities. Thus...

  4. Analyses of antibacterial activity and cell compatibility of titanium coated with a Zr-C-N film.

    Directory of Open Access Journals (Sweden)

    Yin-Yu Chang

    Full Text Available The purpose of this study was to verify the antibacterial performance and cell proliferation activity of zirconium (Zr-carbon (C-nitride (N coatings on commercially pure titanium (Ti with different C contents.Reactive nitrogen gas (N(2 with and without acetylene (C(2H(2 was activated by Zr plasma in a cathodic-arc evaporation system to deposit either a zirconium nitride (ZrN or a Zr-C-N coating onto Ti plates. The bacterial activity of the coatings was evaluated against Staphylococcus aureus with the aid of SYTO9 nucleic acid staining and scanning electron microscopy (SEM. Cell compatibility, mRNA expression, and morphology related to human gingival fibroblasts (HGFs on the coated samples were also determined by using the MTT assay, reverse transcriptase-polymerase chain reaction, and SEM.The Zr-C-N coating with the highest C content (21.7 at% exhibited the lowest bacterial preservation (P<0.001. Biological responses including proliferation, gene expression, and attachment of HGF cells to ZrN and Zr-C-N coatings were comparable to those of the uncoated Ti plate.High-C-content Zr-C-N coatings not only provide short-term antibacterial activity against S. aureus but are also biocompatible with HGF cells.

  5. Effects of C/N controlled periphyton based organic farming of freshwater prawn on water quality parameters and biotic factors

    Directory of Open Access Journals (Sweden)

    Md. Rezoanul Haque

    2014-08-01

    Full Text Available The effects of C:N controlled periphyton based organic farming of freshwater prawn on water quality parameters and biotic factors were investigated. The experiment had two treatments: T1 and T2 each with three replications. Stocking density was maintained at 20,000 juveniles ha-1. In T1, only commercially available prawn feed was applied and in T2, a locally formulated and prepared feed containing 24% crude protein with C:N ratio close to 20 was used, and maize flour and bamboo side shoots were provided for maintaining C:N ratio 20.Mean values of water quality parameters did not vary significantly (P>0.05 between treatments. Periphytic biomass in terms of dry matter, ash free dry matter (AFDM and chlorophyll a showed significant difference (P<0.05 among different sampling months. Individual harvesting weight, individual weight gain, specific growth rates, gross and net yields of prawn were significantly higher (P<0.05 in T2 than T1. Therefore, it was concluded that freshwater prawn might consume periphyton biomass in C:N controlled periphyton based organic farming practices resulted a significantly (P<0.05 higher production of freshwater prawn than traditional farming.

  6. Palladium-catalyzed domino C,N-coupling/carbonylation/Suzuki coupling reaction: an efficient synthesis of 2-aroyl-/heteroaroylindoles.

    Science.gov (United States)

    Arthuis, Martin; Pontikis, Renée; Florent, Jean-Claude

    2009-10-15

    A convenient one-pot synthesis of 2-aroylindoles using a domino palladium-catalyzed C,N-coupling/carbonylation/C,C-coupling sequence is described. The reaction involved easily prepared 2-gem-dibromovinylanilines and boronic acids under carbon monoxide. Optimized reaction conditions allowed the construction of a wide variety of highly functionalized 2-aroyl-/heteroaroylindoles in satisfactory yields.

  7. Short-term changes in soil C, N, and biota following harvesting and regeneration of loblolly pine (Pinus taeda L.)

    Science.gov (United States)

    Mason C. Carter; Thomas J. Dean; Minyi Zhou; Michael G. Messina; Ziyin Wang

    2002-01-01

    In affiliation with the USDA-FS long-term soil productivity program, a series of studies have been established in the US gulf coast region to monitor the effects of intensive silviculture on site productivity. This report presents early results of a study of the interactive effects of harvest intensity and cultural treatments on soil C, N, and biological processes...

  8. Effects of C/N ratio and substrate addition on natural food communities in freshwater prawn monoculture ponds

    NARCIS (Netherlands)

    Asaduzzaman, M.; Rahman, M.M.; Azim, M.E.; Islam, M.A.; Wahab, M.A.; Verdegem, M.C.J.; Verreth, J.A.J.

    2010-01-01

    An on-station trial was conducted to investigate the effects of three C/N ratios (10/1, 15/1 and 20/1) along with substrate presence or absence on natural food communities in freshwater prawn culture ponds. An experiment was carried out in 40 m2 ponds stocked with a stocking density of 2 prawn

  9. Franklin Medal and Bower prize awarded to C.N. Yang. On the Yang-Mills gauge field theory

    International Nuclear Information System (INIS)

    Ma Zhongqi

    1995-01-01

    C.N. Yang was awarded the Benjamin Franklin Medal and 1995 Bower Prize mainly for his fundamental work on nonabelian gauge field theory. A brief introduction to this theory and its important role in the development of physics is given

  10. Experimental soil warming effects on C, N, and major element cycling in a low elevation spruce-fir forest soil

    Science.gov (United States)

    Lindsey E. Rustad; Ivan J. Fernandez; Stephanie Arnold

    1996-01-01

    The effect of global warming on north temperate and boreal forest soils has been the subject of much recent debate. These soils serve as major reservoirs for C, N, and other nutrients necessary for forest growth and productivity. Given the uncertainties in estimates of organic matter turnover rates and storage, it is unclear whether these soils will serve as short or...

  11. C/N-controlled periphyton-based freshwater prawn farming system: a sustainable approach to increase pond productivity

    NARCIS (Netherlands)

    Asaduzzaman, M.

    2012-01-01

    Three technologies showed to improve productivity and sustainability of pond production: (1) C/N ratio control, (2) providing substrates for periphyton development, and (3) fish driven re-suspension. The novelty of this PhD research is to combine these technologies, with the goal to raise pond

  12. Changes in organic matter (C, N and P) of soils under subsistence agriculture

    International Nuclear Information System (INIS)

    Fraga, Vania da Silva

    2002-10-01

    Productivities under low input or subsistence agriculture are strongly dependent on nutrient supply from soil organic matter mineralization (SOM). Few results are available and they indicate declines in soil fertility under this agricultural system, particularly in SOM levels. In an attempt to understand the nature and extent of these declines we selected ten sites having cultivated areas adjacent with areas under native vegetation at the same slope position, in the states of Pernambuco and Paraiba. Based on the management history, in situ observations and 137 Cs concentrations to evaluate soil erosion, the areas were divided in four groups having different levels of soil use intensity: Undisturbed Dry Forest (UDF), Disturbed Dry Forest (DDF), Preserved-Cultivated (PC) and Degraded-Cultivated (DC). In the first part of this work we quantified total organic C, N and P, in addition to 137 Cs concentrations, under the assumption that changes in organic nutrient contents among land use groups would be greater than the within group variability, thus enabling inferences at a regional scale. Concentrations of C and N in DC were 50% smaller (P -3 ) (C-lf); C-CO 2 produced during three days of incubation (C-min3d); C oxidized with 333 mM (C-ox 333) and 16,5 mM (C-ox16) KMnO 4 . The only fraction that did not correlate with total C was C-fl. Average proportions of total C extracted by C-mins3d, C-ox 16 were 1.5%, 24% and 7.2 %, respectively. In the second phase, the whole sample set (n=160) was analyzed for C-ox16. This C fraction decreased from 1.65 g kg -1 under UDF to 0.70 in DC (P -1 , in a pot experiment. Total C correlated significantly with N mineralized in 60 d (N-min60d) (r=0.79***) while N-min60 and P-Mehlich-1 explained 80% of the variation in dry matter production by buffel grass (Cenchrus ciliaris). Low P availability, C and N losses, limited water availability and sometimes-inappropriate land management techniques, are considered strong limiting conditions for

  13. Integrated survey of elemental stoichiometry (C, N, P from the western to eastern Mediterranean Sea

    Directory of Open Access Journals (Sweden)

    M. Pujo-Pay

    2011-04-01

    Full Text Available This paper provides an extensive vertical and longitudinal description of the biogeochemistry along an East-West transect of 3000 km across the Mediterranean Sea during summer 2008 (BOUM cruise. During this period of strong stratification, the distribution of nutrients, particulate and dissolved organic carbon (DOC, nitrogen (DON and phosphorus (DOP were examined to produce a detailed spatial and vertically extended description of the elemental stoichiometry of the Mediterranean Sea. Surface waters were depleted in nutrients and the thickness of this depleted layer increased towards the East from about 10 m in the Gulf of Lion to more than 100 m in the Levantine basin, with the phosphacline deepening to a greater extent than that for corresponding nitracline and thermocline depths. We used the minimum oxygen concentration through the water column in combination with 2 fixed concentrations of dissolved oxygen to distinguish an intermediate layer (Mineralization Layer; ML from surface (Biogenic Layer; BL, and deep layers (DL. Whilst each layer was represented by different water masses, this approach allowed us to propose a schematic box-plot representation of the biogeochemical functioning of the two Mediterranean basins. Despite the increasing oligotrophic nature and the degree of P-depletion along the West to East gradient strong similarities were encountered between eastern and western ecosystems. Within the BL, the C:N:P ratios in all pools largely exceeded the Redfield ratios, but surprisingly, the nitrate vs. phosphate ratios in the ML and DL tended towards the canonical Redfield values in both basins. A change in particulate matter composition has been identified by a C increase relative to N and P along the whole water column in the western basin and between BL and ML in the eastern one. Our data showed a noticeable stability of the DOC:DON ratio (12–13 throughout the Mediterranean Sea. This is in good agreement with a P-limitation of

  14. Preparation, properties, and application characteristics of metastable layers of the Ti-Si-C-N system

    International Nuclear Information System (INIS)

    Fella, R.

    1992-10-01

    In the Ti-Si-C and Ti-Si-C-N systems, metastable layers were precipitated by means of non-reactive magnetron sputtering of hot-pressed two-phase TiC/SiC and TiN/SiC targets with 20 mole% and 50 mole% SiC. The preparation parameters were varied as follows: ion bombardment during precipitation (bias sputtering), substrate temperature, and annealing times when annealing amorphous 50%:50% TiC/SiC and 50%:50% TiN/SiC layers. Sputtering of targets containing 20% SiC was found to result in monophase fcc layers (NaCl structure). This was documented on the basis of X-ray and electron diffraction patterns. Direct precipitation of targets with 50 mole% SiC resulted in amorphous layers. Increasing the ion bombardment during accretion, raising the substrate temperature, and annealing amorphous 50%:50% TiC/SiC and 50%:50% TiN/SiC (layers precipitated directly) resulted in the crystallization of TiC and TiN nanocrystallites, respectively, imbedded in an amorphous SiC matrix. These crystallites were detected both by X-ray and by electron diffractions and by XPS studies. The XPS measurements of crystalline TiC and amorphous SiC reference layers demonstrated the existence of new kinds of carbon interface phases ('pseudocarbide layers') around TiC and amorphous SiC regions, respectively, which have a positive impact on the mechanical properties of the layers. The hardness of the layers can be correlated with the degrees of crystallization and texture. Adhesion and toughness are worse in SiC-bearing layers than PVD TiC and TiN layers, respectively. The application characteristics of the layers were determined by model wear tests relative to 100Cr6 by means of a pin/disk tribometer. N-bearing layers were found to have clearly higher friction coefficients and greater wear than layers without N. (orig.)

  15. Metal-organic cooperative catalysis in C-H and C-C bond activation and its concurrent recovery.

    Science.gov (United States)

    Park, Young Jun; Park, Jung-Woo; Jun, Chul-Ho

    2008-02-01

    components using a hydrogen-bonded self-assembled system as a catalyst support. This catalyst-recovery system provides a homogeneous phase at high temperature during the reaction and a heterogeneous phase at room temperature after the reaction. The product could be separated conveniently from the self-assembly support system by decanting the upper layer. The immobilized catalysts of both 2-aminopyridine and rhodium metal species sustained high catalytic activity for up to the eight catalytic reactions. In conclusion, the successful incorporation of an organocatalytic cycle into a transition metal catalyzed reaction led us to find MOCC for C-H and C-C bond activation. In addition, the hydrogen-bonded self-assembled support has been developed for an efficient and effective recovery system of homogeneous catalysts and could be successful in immobilizing both metal and organic catalysts.

  16. Quantitative effects of composting state variables on C/N ratio through GA-aided multivariate analysis.

    Science.gov (United States)

    Sun, Wei; Huang, Guo H; Zeng, Guangming; Qin, Xiaosheng; Yu, Hui

    2011-03-01

    It is widely known that variation of the C/N ratio is dependent on many state variables during composting processes. This study attempted to develop a genetic algorithm aided stepwise cluster analysis (GASCA) method to describe the nonlinear relationships between the selected state variables and the C/N ratio in food waste composting. The experimental data from six bench-scale composting reactors were used to demonstrate the applicability of GASCA. Within the GASCA framework, GA searched optimal sets of both specified state variables and SCA's internal parameters; SCA established statistical nonlinear relationships between state variables and the C/N ratio; to avoid unnecessary and time-consuming calculation, a proxy table was introduced to save around 70% computational efforts. The obtained GASCA cluster trees had smaller sizes and higher prediction accuracy than the conventional SCA trees. Based on the optimal GASCA tree, the effects of the GA-selected state variables on the C/N ratio were ranged in a descending order as: NH₄+-N concentration>Moisture content>Ash Content>Mean Temperature>Mesophilic bacteria biomass. Such a rank implied that the variation of ammonium nitrogen concentration, the associated temperature and the moisture conditions, the total loss of both organic matters and available mineral constituents, and the mesophilic bacteria activity, were critical factors affecting the C/N ratio during the investigated food waste composting. This first application of GASCA to composting modelling indicated that more direct search algorithms could be coupled with SCA or other multivariate analysis methods to analyze complicated relationships during composting and many other environmental processes. Copyright © 2010 Elsevier B.V. All rights reserved.

  17. Shrub type dominates the vertical distribution of leaf C : N : P stoichiometry across an extensive altitudinal gradient

    Science.gov (United States)

    Zhao, Wenqiang; Reich, Peter B.; Yu, Qiannan; Zhao, Ning; Yin, Chunying; Zhao, Chunzhang; Li, Dandan; Hu, Jun; Li, Ting; Yin, Huajun; Liu, Qing

    2018-04-01

    Understanding leaf stoichiometric patterns is crucial for improving predictions of plant responses to environmental changes. Leaf stoichiometry of terrestrial ecosystems has been widely investigated along latitudinal and longitudinal gradients. However, very little is known about the vertical distribution of leaf C : N : P and the relative effects of environmental parameters, especially for shrubs. Here, we analyzed the shrub leaf C, N and P patterns in 125 mountainous sites over an extensive altitudinal gradient (523-4685 m) on the Tibetan Plateau. Results showed that the shrub leaf C and C : N were 7.3-47.5 % higher than those of other regional and global flora, whereas the leaf N and N : P were 10.2-75.8 % lower. Leaf C increased with rising altitude and decreasing temperature, supporting the physiological acclimation mechanism that high leaf C (e.g., alpine or evergreen shrub) could balance the cell osmotic pressure and resist freezing. The largest leaf N and high leaf P occurred in valley region (altitude 1500 m), likely due to the large nutrient leaching from higher elevations, faster litter decomposition and nutrient resorption ability of deciduous broadleaf shrub. Leaf N : P ratio further indicated increasing N limitation at higher altitudes. Interestingly, drought severity was the only climatic factor positively correlated with leaf N and P, which was more appropriate for evaluating the impact of water status than precipitation. Among the shrub ecosystem and functional types (alpine, subalpine, montane, valley, evergreen, deciduous, broadleaf, and conifer), their leaf element contents and responses to environments were remarkably different. Shrub type was the largest contributor to the total variations in leaf stoichiometry, while climate indirectly affected the leaf C : N : P via its interactive effects on shrub type or soil. Collectively, the large heterogeneity in shrub type was the most important factor explaining the overall leaf C : N : P variations

  18. Iodide, azide, and cyanide complexes of (N,C), (N,N), and (N,O) metallacycles of tetra- and pentavalent uranium

    International Nuclear Information System (INIS)

    Benaud, Olivier; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel

    2011-01-01

    In contrast to the neutral macrocycle [UN* 2 (N,C)] (1) [N* = N(SiMe 3 ) 3 ; N,C = CH 2 SiMe 2 N-(SiMe 3 )] which was quite inert toward I 2 , the anionic bismetallacycle [NaUN*(N,C) 2 ] (2) was readily transformed into the enlarged monometallacycle [UN*(N,N)I] (4) [N,N = (Me 3 Si)NSiMe 2 CH 2 CH 2 SiMe 2 N(SiMe 3 )] resulting from C-C coupling of the two CH 2 groups, and [NaUN*(N,O) 2 ] (3) [N,O = OC(=CH 2 )SiMe 2 N(SiMe 3 )], which is devoid of any U-C bond, was oxidized into the UV bismetallacycle [Na{UN*(N,O) 2 }2(μ-I)] (5). Sodium amalgam reduction of 4 gave the U(III) compound [UN*(N,N)] (6). Addition of MN 3 or MCN to the (N,C), (N,N), and (N,O) metallacycles 1, 4, and 5 led to the formation of the anionic azide or cyanide derivatives M[UN* 2 (N,C)(N 3 )] [M = Na, 7a or Na(15-crown-5), 7b], M[UN* 2 (N,C)(CN)] [M = NEt 4 , 8a or Na(15-crown-5), 8b or K(18-crown-6), 8c], M[UN*(N,N)(N 3 ) 2 ] [M = Na, 9a or Na(THF)4, 9b], [NEt 4 ][UN*(N,N)(CN) 2 ] (10), M[UN*(N,O) 2 (N 3 )] [M = Na, 11a or Na(15-crown-5), 11b], M[UN*(N,O) 2 (CN)] [M = NEt 4 , 12a or Na(15-crown-5), 12b]. In the presence of excess iodine in THF, the cyanide 12a was converted back into the iodide 5, while the azide 11a was transformed into the neutral UV complex [U(N{SiMe 3 }-SiMe 2 C{CHI}O) 2 I(THF)] (13). The X-ray crystal structures of 4, 7b, 8a-c, 9b, 10, 12b, and 13 were determined. (authors)

  19. Fatigue aging of adhesive bonds

    International Nuclear Information System (INIS)

    DeLollis, N.J.

    1979-01-01

    A year long study has been made of the effect of fatigue on the bond between two epoxy encapsulant formulations and a fused alumina disc. The variables studied included isothermal aging at temperatures up to and including the cure temperature and cyclic thermal aging from +74 to -54 0 C. The encapsulants were glass microballoon filled epoxies differing only in curing agents. One was cured with an aromatic amine eutectic (Shell Curing Agent Z). The other was cured with diethanolamine. The Z cured encapsulant bond failed completely at the bond interface with little or no aging; infrared evidence indicated a soluble interlayer as a possible cause of failure. The diethanolamine cured encapsulant survived a year of isothermal aging with little or no evidence of bond degradation. Cyclic thermal aging resulted in gradual bond failure with time. An extrapolation of the cyclic aging data indicates that the stresses induced by thermal cycling would result in complete bond failure in about 1200 days

  20. What is a hydrogen bond?

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. What is a hydrogen bond? Precise definition of a hydrogen bond is still elusive!1. Several criteria are listed usually for X-H•••Y, X and Y initially thought to be F, O and N only1. Structural: The X-Y bond length is less than the sum of their van der Waals radii. X-H•••Y is ...

  1. Composite interlayer for diffusion bonding

    International Nuclear Information System (INIS)

    1976-01-01

    A ductile interlayer is described, which is useful for transient liquid phase diffusion bonding of metallic articles; the interlayer consisting of a melting point depressant and a plurality of ductile lamellae which are free from carbides, aluminides and borides. The composition and fabrication of the lamellae, and the process for bonding the metallic articles, depend on the composition of the metals to be bonded, and are exemplified in the specification. (U.K.)

  2. Wafer bonding applications and technology

    CERN Document Server

    Gösele, Ulrich

    2004-01-01

    During the past decade direct wafer bonding has developed into a mature materials integration technology. This book presents state-of-the-art reviews of the most important applications of wafer bonding written by experts from industry and academia. The topics include bonding-based fabrication methods of silicon-on-insulator, photonic crystals, VCSELs, SiGe-based FETs, MEMS together with hybrid integration and laser lift-off. The non-specialist will learn about the basics of wafer bonding and its various application areas, while the researcher in the field will find up-to-date information about this fast-moving area, including relevant patent information.

  3. A simplified indirect bonding technique

    Directory of Open Access Journals (Sweden)

    Radha Katiyar

    2014-01-01

    Full Text Available With the advent of lingual orthodontics, indirect bonding technique has become an integral part of practice. It involves placement of brackets initially on the models and then their transfer to teeth with the help of transfer trays. Problems encountered with current indirect bonding techniques used are (1 the possibility of adhesive flash remaining around the base of the brackets which requires removal (2 longer time required for the adhesive to gain enough bond strength for secure tray removal. The new simplified indirect bonding technique presented here overcomes both these problems.

  4. Effect of heating rate on the mechanical properties and microstructure of Ti(C,N)-based cermets

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qingzhong; Ai, Xing, E-mail: aixingsdu@163.com; Zhao, Jun; Zhang, Hongshan; Qin, Wenzhen; Gong, Feng

    2015-03-25

    An appropriate heating rate in the sintering process is crucial to obtain the Ti(C,N)-based cermets with superior properties. In this paper, Ti(C,N)-based cermets were sintered to investigate the influence of heating rate on the mechanical properties and microstructure of the cermet materials. The transverse rupture strength (TRS), Vickers hardness (HV) and fracture toughness (K{sub IC}) were tested. The microstructure, indention crack, fracture morphology and phase composition of the cermets were also studied by scanning electron microscope (SEM) with energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD). The results reveal that the heating rate has a great influence on the mechanical properties and microstructure of Ti(C,N)-based cermets. The cermets sintered at the heating rate of 3 °C/min between 1300 °C and 1430 °C have the optimum comprehensive mechanical properties with a transverse rupture strength of 1605±107 MPa, a hardness of 12.02±0.25 GPa and a fracture toughness of 10.73±0.40 MPa m{sup 1/2}. The heating rate can affect the reaction among the constituents of Ti(C,N)-based cermets and then influence the elements distribution in the core–rim microstructures and the lattice parameter of Ti(C,N) phase. When the heating rate is between 2 °C/min and 5 °C/min, the lower the heating rate is, the coarser the Ti(C,N) grains become. A higher heating rate is detrimental to the formation of core–rim microstructures, and a lower heating rate can result in grain coarsening and inhomogeneous microstructure. The observation of indention cracks and fracture surfaces show that the intergranular cracks and intergranular fractures mainly occur in the cermets with larger binder mean free path and medium grains. While the cleavage fractures appear more in the cermets with grain coarsening, and the transgranular fractures exist more in the cermets with non-fully developed fine grains.

  5. Synthesis of (Cr,V){sub 2}(C,N) solid solution powders by thermal processing precursors

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Anrui [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China); Liu, Ying [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China); Key Laboratory of Advanced Special Material & Technology, Ministry of Education, Chengdu, 610065 (China); Ma, Shiqing; Qiu, Yuchong; Rong, Pengcheng; Ye, Jinwen [School of Materials Science & Engineering, Sichuan University, Chengdu, 610065 (China)

    2017-06-01

    The single-phase (Cr,V){sub 2}(C,N) solid solution powders were fabricated via carbothermal reduction-nitridation (CRN) processing technique. The effects of heat treatment temperature, nitrogen pressure and carbon proportion were experimentally studied in detail by X-ray Diffraction (XRD), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and thermal analysis. The chemical transformations of vanadium and chromium compounds were as follows: precursors → V{sub 2}O{sub 3}, Cr{sub 2}O{sub 3} → Cr{sub 3}C{sub 2}, Cr{sub 2}O{sub 3}, (Cr,V){sub 2}(C,N) → (Cr,V){sub 2}(C,N). When the heat-treated temperature was below 1200 °C, chromium oxides didn’t completely react. However, higher temperature ∼1300 °C could not only lead to the segregation of some nitrides and carbon black, but also to the occurrence of fiber-bridged particles. The system nitrogen pressure over 0.03 MPa would cause a subtle transformation of (Cr,V){sub 2}(C,N) to VCrN{sub 2}. When the carbon proportion was below 15 wt%, the oxides could not be completely reduced, while when the carbon proportion was above 15.5 wt%, some undesired carbides, like Cr{sub 23}C{sub 6} and Cr{sub 3}C{sub 2}, would form. Ultimately, the homogeneously distributed pure-phase (Cr,V){sub 2}(C,N) spherical particles with the average size of ∼1.5 μm were obtained at the optimal conditions of the treatment of precursors at 1200 °C for 1 h with the nitrogen pressure of 0.03 MPa and carbon content of 15.5 wt%. The chemical composition of the solid solution with the optimal process could be drawn as (Cr{sub 0.85}V{sub 0.15}){sub 2}(C{sub 0.57}N{sub 0.43}). Thermal processing precursors method shows the advantages of lower synthesis temperature, shorter period and finer particles when comparing with the conventional preparations. - Highlights: • Single phase of (Cr,V){sub 2}(C,N) powders were synthesized for the first time. • Precursors were used to prepared the powders by carbothermal

  6. Human Bond Communication

    DEFF Research Database (Denmark)

    Prasad, Ramjee

    2016-01-01

    Modern dexterous communication technology is progressively enabling humans to communicate their information through them with speech (aural) and media (optical) as underpinning essence. Humans realize this kind of aural and optical information by their optical and auditory senses. However, due...... to certain constraints, the ability to incorporate the other three sensory features namely, olfactory, gustatory, and tactile are still far from reality. Human bond communication is a novel concept that incorporates olfactory, gustatory, and tactile that will allow more expressive and holistic sensory...... information exchange through communication techniques for more human sentiment centric communication. This concept endorses the need of inclusion of other three senses and proposes an innovative approach of holistic communication for future communication network....

  7. 30 CFR 281.33 - Bonds and bonding requirements.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 2 2010-07-01 2010-07-01 false Bonds and bonding requirements. 281.33 Section 281.33 Mineral Resources MINERALS MANAGEMENT SERVICE, DEPARTMENT OF THE INTERIOR OFFSHORE LEASING OF MINERALS OTHER THAN OIL, GAS, AND SULPHUR IN THE OUTER CONTINENTAL SHELF Financial Considerations § 281.33...

  8. 29 CFR 2580.412-19 - Term of the bond, discovery period, other bond clauses.

    Science.gov (United States)

    2010-07-01

    ... SECURITY ACT OF 1974 TEMPORARY BONDING RULES General Bond Rules § 2580.412-19 Term of the bond, discovery... 29 Labor 9 2010-07-01 2010-07-01 false Term of the bond, discovery period, other bond clauses... new bond must be obtained each year. There is nothing in the Act that prohibits a bond for a term...

  9. Hydrogen bonding between hydrides of the upper-right part of the periodic table

    Science.gov (United States)

    Simončič, Matjaž; Urbic, Tomaz

    2018-05-01

    One of the most important electrostatic interactions between molecules is most definitely the hydrogen bond. Understanding the basis of this interaction may offer us the insight needed to understand its effect on the macroscopic scale. Hydrogen bonding is for example the reason for anomalous properties in compounds like water and naturally life as we know it. The strength of the bond depends on numerous factors, among them the electronegativity of participating atoms. In this work we calculated the strength of hydrogen bonds between hydrides of the upper-right part of the periodic table (C, N, O, F, P, S, Cl, As, Se, Br) using quantum-chemical methods. The aim was to determine what influences the strength of strong and weak hydrogen bonds in simple hydrides. Various relationships were checked. A relation between the strength of the bond and the electronegativity of the participating atoms was found. We also observed a correlation between the strength of hydrogen bonds and the inter-atomic distances, along with the dependence on the charge transfer on the atom of the donor. We also report characteristic geometries of different dimers.

  10. Distribution of C, N, P in aquatic plants of some lakes in the middle of Yangtze river

    International Nuclear Information System (INIS)

    Huang Liang; Wu Ying; Zhou Juzhen; Zhang Jing; Li Wei

    2003-01-01

    By analyzing three elements (C, N, P, 13 C) in the ten aquatic plants of nine lakes in the middle of Yangtze River, the concentrations of C, N and δ 13 C in leaves of aquatic macrophytes depend on the environment where they live in. The concentration of C and N in leaves of submerged macrophytes is significantly lower than that of leaves of floating and emergent macrophytes because of limitation of inorganic carbon; And at the same time, because δ 13 C of inorganic carbon in water is higher than that of CO 2 in air, δ 13 C of leaves of submerged macrophytes is higher than that of leaves of floating and emergent macrophytes. (authors)

  11. Charge-Shift Corrected Electronegativities and the Effect of Bond Polarity and Substituents on Covalent-Ionic Resonance Energy.

    Science.gov (United States)

    James, Andrew M; Laconsay, Croix J; Galbraith, John Morrison

    2017-07-13

    Bond dissociation energies and resonance energies for H n A-BH m molecules (A, B = H, C, N, O, F, Cl, Li, and Na) have been determined in order to re-evaluate the concept of electronegativity in the context of modern valence bond theory. Following Pauling's original scheme and using the rigorous definition of the covalent-ionic resonance energy provided by the breathing orbital valence bond method, we have derived a charge-shift corrected electronegativity scale for H, C, N, O, F, Cl, Li, and Na. Atomic charge shift character is defined using a similar approach resulting in values of 0.42, 1.06, 1.43, 1.62, 1.64, 1.44, 0.46, and 0.34 for H, C, N, O, F, Cl, Li, and Na, respectively. The charge-shift corrected electronegativity values presented herein follow the same general trends as Pauling's original values with the exception of Li having a smaller value than Na (1.57 and 1.91 for Li and Na respectively). The resonance energy is then broken down into components derived from the atomic charge shift character and polarization effects. It is then shown that most of the resonance energy in the charge-shift bonds H-F, H 3 C-F, and Li-CH 3 and borderline charge-shift H-OH is associated with polarity rather than the intrinsic atomic charge-shift character of the bonding species. This suggests a rebranding of these bonds as "polar charge-shift" rather than simply "charge-shift". Lastly, using a similar breakdown method, it is shown that the small effect the substituents -CH 3 , -NH 2 , -OH, and -F have on the resonance energy (<10%) is mostly due to changes in the charge-shift character of the bonding atom.

  12. Crystallization of an amorphous B-C-N precursor with a Li-B-N catalyst at high pressures and temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Li Dongxu; Yu Dongli; Wang Peng; Li Yingmei; He Julong; Xu Bo; Liu Zhongyuan [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, Hebei Province (China); Tian Yongjun, E-mail: fhcl@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, Hebei Province (China)

    2009-11-15

    An orthorhombic B-C-N compound was synthesized using an amorphous B-C-N precursor and a Li-B-N catalyst at 6 GPa and 1773 K. The results of energy dispersive spectrometry and electronic energy loss spectrometry suggest a stoichiometry of B:C:N = 1:3.3:1. In addition, the Li-B-N catalyst improves the crystallizations of the B-C-N compound, graphite and BN and therefore might be a profitable catalyst in ultrahigh pressure experiments.

  13. Crystallization of an amorphous B-C-N precursor with a Li-B-N catalyst at high pressures and temperatures

    International Nuclear Information System (INIS)

    Li Dongxu; Yu Dongli; Wang Peng; Li Yingmei; He Julong; Xu Bo; Liu Zhongyuan; Tian Yongjun

    2009-01-01

    An orthorhombic B-C-N compound was synthesized using an amorphous B-C-N precursor and a Li-B-N catalyst at 6 GPa and 1773 K. The results of energy dispersive spectrometry and electronic energy loss spectrometry suggest a stoichiometry of B:C:N = 1:3.3:1. In addition, the Li-B-N catalyst improves the crystallizations of the B-C-N compound, graphite and BN and therefore might be a profitable catalyst in ultrahigh pressure experiments.

  14. Comparison of Ti(C,N)-based cermets processed by hot-pressing sintering and conventional pressureless sintering

    International Nuclear Information System (INIS)

    Xu, Qingzhong; Ai, Xing; Zhao, Jun; Qin, Weizhen; Wang, Yintao; Gong, Feng

    2015-01-01

    Highlights: • The HP sintered Ti(C,N)-based cermets exhibit high hardness with fine grain size. • The PLS sintered cermets possess high mechanical properties with low porosity. • The applied pressure can rearrange particles and contribute to grain refinement. • The heating rate can greatly affect the solid and liquid phase sintering of cermets. - Abstract: A suitable sintering method is important to obtain the Ti(C,N)-based cermets with superior properties. In this paper, Ti(C,N)-based cermets were fabricated by hot-pressing sintering (HP) and conventional pressureless sintering (PLS) technology, respectively, to investigate the influence of different sintering methods on the microstructure and mechanical properties of cermets materials. The microstructure, fracture morphology, indention cracks and phase composition were observed and detected using scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD). The transverse rupture strength (TRS), Vickers hardness (HV) and fracture toughness (K IC ) were also measured. The results reveal that all of the Ti(C,N)-based cermets exhibit core–rim microstructures with black cores, white cores and grey rims embedded into metal binder phases. The grain size of the samples fabricated by HP is much finer and the structure is more compact than those fabricated by PLS, while there exist pores in the HP sintered samples. The sintering process has no influence on the phase composition of cermets, but affects the phase content and crystallinity. The samples fabricated by PLS present higher transverse rupture strength, fracture toughness and density than samples fabricated by HP. However, the HP sintered samples possess a higher hardness

  15. The Effects of Fiddler Crabs (Uca sp on C/N Ratio and Redox Potential of Soil in Mangrove Ecosystems

    Directory of Open Access Journals (Sweden)

    Mulyanto Mulyanto

    2017-08-01

    Full Text Available Research has been done in Ketapang mangrove area of  Probolinggo city in months of September-November 2015. The objectives are to observe the fiddler crab community stucture and to analyze the effects of fiddler crabs on C/N ratio and redox potential of soil in mangrove ecosystems. The samples of fiddler crabs were taken during the low tides at 4 station (20 transects with sizes of 1 m2. Data of the fiddler crabs were measured from the soil digging insides the transect. The soil samples were taken from these crab holes wall (at the surface and at the depth of 20 cm, under the holes at the depth of 40 cm as well as from the locations that undwells by these animals at the same depth. The fiddler crab identified are U. Triangularis between 2 – 6 ind/m2, U paradussumieri 1 – 3 ind/m2, U perplexa 14 – 32 ind/m2, U dussumieri 12 – 27 ind/m2 and U. Tetragonon 3 – 6 ind/m2. The diversity is moderate (H = 1.7 and the dominance index was low (C = 0.37. C/N ratio soil were inhabited by fiddler crab between 6 – 14, the undwelled area were 14 – 20. Soil C/N ratio was inhabited by the fiddler crab at the surface and depth of 20 cm in average of 9 cm while at 40 cm in avergae of 12. The low of C/N ratio at surface and depth of 20 cm causing the organic matter turnover faster because the high nitorgen content. Soil potential redox (Eh the undwelled areas was found –0.647 mV, meanwhile the soil Eh in the dwelled areas was positive (0.68 till 0.87 mV. This mean, the decpmposition was occured during aerobic condition and will produce untoxic subtances.

  16. Striatal [[sup 11]C]-N-methyl-spiperone binding in patients with focal dystonia (torticollis) using positron emission tomography

    Energy Technology Data Exchange (ETDEWEB)

    Leenders, K [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Hartvig, P [Hospital Pharmacy, Univ. Hospital, Uppsala (Sweden); Forsgren, L; Holmgren, G; Almay, B [Dept. of Neurology, Umeaa Univ., Umeaa (Sweden); Eckernaes, S A [Dept. of Neurology, Univ. Hospital, Uppsala (Sweden); Lundqvist, H; Laangstroem, B [Uppsala Univ. PET-Center, Uppsala (Sweden)

    1993-01-01

    Specific binding of [[sup 11]C]-N-methyl-spiperone to striatal dopamine D2 receptors was assessed using positron emission tomography (PET) in 6 patients with adult-onset focal dystonia (predominantly spasmodic torticollis) and in 5 healthy subjects. No significant difference in average specific striatal tracer uptake between patients and healthy subjects was found. However, in the 5 patients showing lateralisation of clinical signs a trend to higher striatal tracer uptake in the contralateral hemisphere was observed. (authors).

  17. R-matrix calculations for electron-impact excitation of C(+), N(2+), and O(3+) including fine structure

    Science.gov (United States)

    Luo, D.; Pradhan, A. K.

    1990-01-01

    The new R-matrix package for comprehensive close-coupling calculations for electron scattering with the first three ions in the boron isoelectronic sequence, the astrophysically significant C(+), N(2+), and O(3+), is presented. The collision strengths are calculated in the LS coupling approximation, as well as in pair-coupling scheme, for the transitions among the fine-structure sublevels. Calculations are carried out at a large number of energies in order to study the detailed effects of autoionizing resonances.

  18. Refractive properties of imidazolium ionic liquids with alanine anion [C n mim][Ala] ( n = 2, 3, 4, 5, 6)

    Science.gov (United States)

    Zhou, Cai-bin; Li, Jing; Yi, Zhe; Ai, Hong-jun

    2017-10-01

    Imidazolium ionic liquids with alanine anion, [C n mim][Ala] ( n = 2, 3, 4, 5, 6), were prepared and characterized. The standard addition method was used to measure refractivity of the synthesized ionic liquids in order to eliminate the effect of water traces in the ionic liquids. The molar refraction and molecular polarizability were also calculated by Lorentz-Lorenz's method. Using liner extrapolation, the semiempirical estimation method for optical properties of other ionic liquids with amino acid anions was established.

  19. Mechanism of generation of large (Ti,Nb,V)(C,N)-type precipitates in H13 + Nb tool steel

    Science.gov (United States)

    Xie, You; Cheng, Guo-guang; Chen, Lie; Zhang, Yan-dong; Yan, Qing-zhong

    2016-11-01

    The characteristics and generation mechanism of (Ti,Nb,V)(C,N) precipitates larger than 2 μm in Nb-containing H13 bar steel were studied. The results show that two types of (Ti,Nb,V)(C,N) phases exist—a Ti-V-rich one and an Nb-rich one—in the form of single or complex precipitates. The sizes of the single Ti-V-rich (Ti,Nb,V)(C,N) precipitates are mostly within 5 to 10 μm, whereas the sizes of the single Nb-rich precipitates are mostly 2-5 μm. The complex precipitates are larger and contain an inner Ti-V-rich layer and an outer Nb-rich layer. The compositional distribution of (Ti,Nb,V)(C,N) is concentrated. The average composition of the single Ti-V-rich phase is (Ti0.511V0.356Nb0.133)(C x N y ), whereas that for the single Nb-rich phase is (Ti0.061V0.263Nb0.676)(C x N y ). The calculation results based on the Scheil-Gulliver model in the Thermo-Calc software combining with the thermal stability experiments show that the large phases precipitate during the solidification process. With the development of solidification, the Ti-V-rich phase precipitates first and becomes homogeneous during the subsequent temperature reduction and heat treatment processes. The Nb-rich phase appears later.

  20. Effect of C/N ratio, aeration rate and moisture content on ammonia and greenhouse gas emission during the composting.

    Science.gov (United States)

    Jiang, Tao; Schuchardt, Frank; Li, Guoxue; Guo, Rui; Zhao, Yuanqiu

    2011-01-01

    Gaseous emission (N2O, CH4 and NH3) from composting can be an important source of anthropogenic greenhouse gas and air pollution. A laboratory scale orthogonal experiment was conducted to estimate the effects of C/N ratio, aeration rate and initial moisture content on gaseous emission during the composting of pig faeces from Chinese Ganqinfen system. The results showed that about 23.9% to 45.6% of total organic carbon (TOC) was lost in the form of CO2 and 0.8% to 7.5% of TOC emitted as CH4. Most of the nitrogen was lost in the form of NH3, which account for 9.6% to 32.4% of initial nitrogen. N2O was also an important way of nitrogen losses and 1.5% to 7.3% of initial total nitrogen was lost as it. Statistic analysis showed that the aeration rate is the most important factor which could affect the NH3 (p = 0.0189), CH4 (p = 0.0113) and N2O (p = 0.0493) emissions significantly. Higher aeration rates reduce the CH4 emission but increase the NH3 and N2O losses. C/N ratio could affect the NH3 (p = 0.0442) and CH4 (p = 0.0246) emissions significantly, but not the N2O. Lower C/N ratio caused higher NH3 and CH4 emissions. The initial moisture content can not influence the gaseous emission significantly. Most treatments were matured after 37 days, except a trial with high moisture content and a low C/N ratio.

  1. Effect of carbon content on the microstructure and mechanical properties of superfine Ti(C, N)-based cermets

    International Nuclear Information System (INIS)

    Liu Ning; Liu Xuesong; Zhang Xiaobo; Zhu Longwei

    2008-01-01

    As a new kind of tool materials which appeared in the seventies last century, the Ti (C, N)-based cermets have been widely used in recent years due to many of its good properties. The microstructure of Ti(C, N)-based cermets with various carbon content were studied using scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX) and X-ray diffractometry (XRD). Vickers hardness and transverse rupture strength (TRS) were also measured. An increased carbon content resulted in the finer grain size, decreased solution strength of tungsten and molybdenum in the binder phase, and a higher volume fraction of heavy (Ti, Mo, W)(C,N) cores. If the addition of carbon content is too little or too much, the phase composition of material will deviate from the normal dual phase section and lead to the formation of the third phase: η-phase if the carbon content is too low or dissociative carbon if the carbon content is too high. And the formation of the third phase will remarkably deteriorate the mechanical properties of cermets

  2. Ash content, carbon and C/N ratio in paricá in function of NPK fertilization

    Directory of Open Access Journals (Sweden)

    CRISTIANE R. VIEIRA

    2018-02-01

    Full Text Available ABSTRACT Fertilization in areas of forest plantations is needed to supplement plants´ nutritional needs until harvest. An experiment was performed to check the influence of fertilization on levels of ash, carbon and C/N relation in Schizolobium amazonicum. Soil liming was performed and fertilization occurred after 15 days of incubation. S. amazonicum seedlings were produced and submitted to fertilization with N, P and K: N = 0, 40, 80 and 120 kg ha-1; P2O5 = 0, 50, 100 and 200 kg ha-1; K2O = 0, 50, 100 and 200 kg ha-1. The plants were measured after 180 days. The seedlings of 20 treatments with the highest increase in height and diameter were transplanted to the field. Soil was fertilized and limestone was spread; seedlings were distributed into randomized blocks, with six replications. After 12 months, the plants were removed to determine ash, organic carbon, C/N relation contents. The ashes were submitted to digestion to determine nutrient concentrations. Fertilization influenced the levels of ash and organic carbon and C/N relation in S. amazonicum. Results indicate that the species has a potential for energy production.

  3. Ash content, carbon and C/N ratio in paricá in function of NPK fertilization.

    Science.gov (United States)

    Vieira, Cristiane R; Weber, Oscarlina L S; Scaramuzza, José Fernando

    2018-01-01

    Fertilization in areas of forest plantations is needed to supplement plants´ nutritional needs until harvest. An experiment was performed to check the influence of fertilization on levels of ash, carbon and C/N relation in Schizolobium amazonicum. Soil liming was performed and fertilization occurred after 15 days of incubation. S. amazonicum seedlings were produced and submitted to fertilization with N, P and K: N = 0, 40, 80 and 120 kg ha-1; P2O5 = 0, 50, 100 and 200 kg ha-1; K2O = 0, 50, 100 and 200 kg ha-1. The plants were measured after 180 days. The seedlings of 20 treatments with the highest increase in height and diameter were transplanted to the field. Soil was fertilized and limestone was spread; seedlings were distributed into randomized blocks, with six replications. After 12 months, the plants were removed to determine ash, organic carbon, C/N relation contents. The ashes were submitted to digestion to determine nutrient concentrations. Fertilization influenced the levels of ash and organic carbon and C/N relation in S. amazonicum. Results indicate that the species has a potential for energy production.

  4. Age-related decrease of 11C-N-methylspiperone in vivo binding to human striatum detected by PET

    International Nuclear Information System (INIS)

    Iyo, Masaomi; Yamasaki, Toshiro; Fukuda, Hiroshi

    1989-01-01

    The effect of aging on 11 C-N-methylspiperone binding to living human striatum was demonstrated using positron emission tomography. The ll normal volunteers (22 to 72 years old) participated in this study. The uptake of 11 C-N-methylspiperone in the brain following intravenous injection was highest in the striatum in individual subject. And the uptake in the striatum only gradually increased until the end of the study. The uptake of 11 C-N-methylspiperone in cerebellum peaked within 10 minutes following injection and then rapidly dropped. The association rate constant 'k 3 ' was calculated from the slope of the radioactivity-ratio of striatum to cerebellum versus the equivalent time. The equivalent time was calculated from the radioactivity of cerebellum as an input function. The exponential decrease of the k 3 value with aging was observed. The k 3 value of the youngest subject (22 years old, male) was 0.035/min, while that of the oldest one (72 years old, male) was found to be 0.020/min. These data suggested that the dopaminergic activity through D2 dopamine receptors reduces with aging in human striatum. (author)

  5. A thermodynamic model for C-(N-)A-S-H gel: CNASH{sub s}s. Derivation and validation

    Energy Technology Data Exchange (ETDEWEB)

    Myers, Rupert J.; Bernal, Susan A.; Provis, John L., E-mail: j.provis@sheffield.ac.uk

    2014-12-15

    The main reaction product in Ca-rich alkali-activated cements and hybrid Portland cement (PC)-based materials is a calcium (alkali) aluminosilicate hydrate (C-(N-)A-S-H) gel. Thermodynamic models without explicit definitions of structurally-incorporated Al species have been used in numerous past studies to describe this gel, but offer limited ability to simulate the chemistry of blended PC materials and alkali-activated cements. Here, a thermodynamic model for C-(N-)A-S-H gel is derived and parameterised to describe solubility data for the CaO–(Na{sub 2}O,Al{sub 2}O{sub 3})–SiO{sub 2}–H{sub 2}O systems and alkali-activated slag (AAS) cements, and chemical composition data for C-A-S-H gels. Simulated C-(N-)A-S-H gel densities and molar volumes are consistent with the corresponding values reported for AAS cements, meaning that the model can be used to describe chemical shrinkage in these materials. Therefore, this model can provide insight into the chemistry of AAS cements at advanced ages, which is important for understanding the long-term durability of these materials.

  6. O hydrogen bonds in alkaloids

    Indian Academy of Sciences (India)

    An overview of general classification scheme, medicinal importance and crystal structure analysis with emphasis on the role of hydrogen bonding in some alkaloids is presented in this paper. The article is based on a general kind of survey while crystallographic analysis and role of hydrogen bonding are limited to only ...

  7. Distance criterion for hydrogen bond

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. Distance criterion for hydrogen bond. In a D-H ...A contact, the D...A distance must be less than the sum of van der Waals Radii of the D and A atoms, for it to be a hydrogen bond.

  8. Optimal Investment in Structured Bonds

    DEFF Research Database (Denmark)

    Jessen, Pernille; Jørgensen, Peter Løchte

    2012-01-01

    of the article is to provide possible explanations for the puzzle of why small retail investors hold structured bonds. The investment universe consists of a stock index, a risk-free bank account, and a structured bond containing an option written on another index. We apply expected utility maximization...

  9. Fusion-bonded fluidic interconnects

    NARCIS (Netherlands)

    Fazal, I.; Elwenspoek, Michael Curt

    2008-01-01

    A new approach to realize fluidic interconnects based on the fusion bonding of glass tubes with silicon is presented. Fusion bond strength analyses have been carried out. Experiments with plain silicon wafers and coated with silicon oxide and silicon nitride are performed. The obtained results are

  10. Observation of the long-lived triplet excited state of perylenebisimide (PBI) in C^N cyclometalated Ir(III) complexes and application in photocatalytic oxidation.

    Science.gov (United States)

    Sun, Jifu; Zhong, Fangfang; Zhao, Jianzhang

    2013-07-14

    Perylenebisimide (PBI) was used to prepare C^N cyclometalated Ir(III) complexes that show strong absorption of visible light and it is the first time the long-lived triplet excited state of PBI chromophore was observed in a transition metal complex (τT = 22.3 μs). Previously, the lifetime of the triplet state of PBI in transition metal complexes was usually shorter than 1.0 μs. Long-lived triplet excited states are useful for applications in photocatalysis or other photophysical processes concerning triplet-triplet-energy-transfer. PBI and amino-PBI were used for preparation of cyclometalated Ir(III) complexes (Ir-2 and Ir-3), in which the PBI chromophore was connected to the coordination center via C≡C π-conjugation bond. The new complexes show strong absorption in visible region (ε = 34,200 M(-1) cm(-1) at 541 nm for Ir-2, and ε = 19,000 at 669 nm for Ir-3), compared to the model complex Ir(ppy)(bpy)[PF6] Ir-1 (ε PBI-localized long-lived (3)IL states were populated for Ir-2 and Ir-3 upon photoexcitation. The complexes were used as triplet photosensitizers for (1)O2-mediated photooxidation of 1,5-dihydronaphthalene to produce juglone, an important intermediate for preparation of anti-cancer compounds. (1)O2 quantum yields (Φ(Δ)) up to 91% were observed for the new Ir(III) complexes and the overall photosensitizing ability is much higher than the conventional Ir(III) complex Ir-1, which shows the typical weak visible light absorption in visible region. Our results are useful for preparation of transition metal complexes that show strong absorption of visible light and long-lived triplet excited state and for the application of these complexes in photocatalysis.

  11. SOCIAL BONDING: REGULATION BY NEUROPEPTIDES

    Directory of Open Access Journals (Sweden)

    Claudia eLieberwirth

    2014-06-01

    Full Text Available Affiliative social relationships (e.g., among spouses, family members, and friends play an essential role in human society. These relationships affect psychological, physiological, and behavioral functions. As positive and enduring bonds are critical for the overall well-being of humans, it is not surprising that considerable effort has been made to study the neurobiological mechanisms that underlie social bonding behaviors. The present review details the involvement of the nonapeptides, oxytocin (OT and arginine vasopressin (AVP, in the regulation of social bonding in mammals including humans. In particular, we will discuss the role of OT and AVP in the formation of social bonds between partners of a mating pair as well as between parents and their offspring. Furthermore, the role of OT and AVP in the formation of interpersonal bonding involving trust is also discussed.

  12. Fusion-bonded fluidic interconnects

    International Nuclear Information System (INIS)

    Fazal, I; Elwenspoek, M C

    2008-01-01

    A new approach to realize fluidic interconnects based on the fusion bonding of glass tubes with silicon is presented. Fusion bond strength analyses have been carried out. Experiments with plain silicon wafers and coated with silicon oxide and silicon nitride are performed. The obtained results are discussed in terms of the homogeneity and strength of fusion bond. High pressure testing shows that the bond strength is large enough for most applications of fluidic interconnects. The bond strength for 525 µm thick silicon, with glass tubes having an outer diameter of 6 mm and with a wall thickness of 2 mm, is more than 60 bars after annealing at a temperature of 800 °C

  13. Sibling bereavement and continuing bonds.

    Science.gov (United States)

    Packman, Wendy; Horsley, Heidi; Davies, Betty; Kramer, Robin

    2006-11-01

    Historically, from a Freudian and medical model perspective, emotional disengagement from the deceased was seen as essential to the successful adaptation of bereavement. A major shift in the bereavement literature has occurred and it is now generally accepted that despite the permanence of physical separation, the bereaved remains involved and connected to the deceased and can be emotionally sustained through continuing bonds. The majority of literature has focused on adults and on the nature of continuing bonds following the death of a spouse. In this article, the authors demonstrate how the continuing bonds concept applies to the sibling relationship. We describe the unique continued relationship formed by bereaved children and adolescents following a sibling loss, highlight the factors that influence the siblings continuing bonds expressions, and offer clinical interventions. In our view, mental health professionals can play an important role in helping parents encourage activities that may facilitate the creation and maintenance of continuing bonds in their children.

  14. Structure phenomena in the bond zone of explosively bonded plates

    International Nuclear Information System (INIS)

    Livne, Z.

    1979-12-01

    In the bond areas of couples of explosively bonded plates, there are often zones, generally designated as ''molten pockets'', which have undergone melting and solidification. The object of the present study was to investigate molten pockets, which have a decisive effect on bond quality. The experimental samples for the study were chosen in consideration of the mutual behaviour of the plates constituting the couples, according to their equilibrium phase diagrams. To facilitate the investigation, large plates were bonded under conditions that enabled to to obtain wavy bond zones that included relatively large molten pockets. To clarify the complex nature of molten pockets and their surroundings, a wide variety of methods were employed. It was found that the shape and composition of molten pockets largely depend upon the mechanism of formation of both the bond wave and the molten pockets. It was also found that the composition of molten pockets is not homogeneous, which is manifest in the modification of the composition of the pockets, the solidification morphology, the phases, which have been identified by X-ray diffraction, and the bond strenght and hardness. Moreover, the different solidification morphologies revealed by metallography were found to depend upon the types of plates bonded, the bonding conditions and the location of pockets in the wavy interface. For molten pockets, cooling rates of 10 4 to 10 5 (degC/sec) have been deduced from interdendritic spacing, and found to be in good agreement with calculations after a mathematical model. It seems that the fast cooling rates and the steep temperature gradients are at the origin of the particular solidification phenomena observed in molten pockets

  15. Dentin-bonding agents

    Directory of Open Access Journals (Sweden)

    João Carlos Gomes

    2008-01-01

    Full Text Available New dental restorative materials have been developed to meet not only the functional demands, but esthetics as well, and in the last few years an enormous range of new materials has appeared for use in dentistry. Among them, several adhesive systems, and different operative techniques for each group materials. Therefore, is indispensable for the professional to know about the properties, characteristics, and association of these materials with the dental structures, in order to select and use them correctly. Should conventional self-etching adhesive systems be used? This question encouraged this literature review to be conducted, with the aim of comparing the conventional adhesive systems with the self-etching systems and to look for scientific data that would help professionals to choose which adhesive system to use. When compared to conventional systems, it was noted that the self-etching systems show less sensitivity to technique, especially as regards errors the operator could commit. The self-etching systems, particularly the 2-step type, have shown equivalent values of bond strength, marginal microleakage and performance, therefore, will be an option for direct composite resin restorations in posterior teeth.

  16. Roll bonding of strained aluminium

    DEFF Research Database (Denmark)

    Staun, Jakob M.

    2003-01-01

    This report investigates roll bonding of pre-strained (å ~ 4) aluminium sheets to produce high strain material from high purity aluminium (99.996%) and commercial pure aluminium (99.6%). The degree of bonding is investigated by optical microscopy and ultrasonic scanning. Under the right...... of the cross rolled volume fraction is found. To further asses this effect, and the anisotropy, it is necessary to acquire knowledge about both texture and microstructure, e.g. by TEM. Roll bonding of pre-strained aluminium is found to be a possible alternative to ARB in the quest for ultra-fine grained...

  17. Direct Bonded Pontic (Laporan Kasus

    Directory of Open Access Journals (Sweden)

    Suhandi Sidjaja

    2015-10-01

    Full Text Available Advanced science and technology in dentistry enable dental practitioners to modified she bonding techniques in tooth replacement. A pontic made of composite resin bonded to etched enamel of the adjacent teeth can be used in the replacement of one missing anterior tooth with a virgin or sowed adpicent tooth. The advantages of this technique include a one visit treatment, cow cost, good esthetics, less side effects and easy repair or rebounding. Clinical evaluation showed a high success rate therefore with a proper diagnosis and a perfect skill of the direct bonded technique this treatment can be used as an alternative restoration.

  18. Peptide bond detection via graphene nanogaps: a proof of principle study.

    Science.gov (United States)

    Rossini, Aldo Eugenio; Gala, Fabrizio; Chinappi, Mauro; Zollo, Giuseppe

    2018-03-29

    Solid-state nanopores and nanogaps are emerging as promising tools for single molecule analysis. 2D materials, such as graphene, can potentially reach the spatial resolution needed for nucleic acid and protein sequencing. In the context of the density functional theory, atomistic modeling and non-equilibrium Green's function calculation, we show that glycine based polypeptide chains translocating across a nano-gap between two semi-infinite graphene nano-ribbons leave a specific transverse current signature for each peptide bond. The projected density of states and bond current analyses reveal a complex scenario with a role played by the adjacent α-carbons and side chains and by the orbitals of the partially resonant double bond involving C, N and O atoms of the peptide bond. In this context, specific fingerprints of the atoms involved in the peptide bonds are found. The same scenario is evidenced also for peptides involving alanine residues. The signal measured can be considered as a specific fingerprint of peptide bonds between small and neutral amino acids with no polar/charge effects. On this basis, a newly conceived nano-device made of a graphene based array of nano-gap is proposed as a possible route to approach peptide sequencing with atomic resolution.

  19. Tracking Water, C, N, and P by Linking Local Scale Soil Hydrologic and Biogeochemical Features to Watershed Scale

    Science.gov (United States)

    Sedaghatdoost, A.; Mohanty, B.; Huang, Y.

    2017-12-01

    The biogeochemical cycles of carbon (C), nitrogen (N), and phosphorus (P) have many contemporary significance due to their critical roles in determining the structure and function of ecosystems. The objectives of our study is to find out temporal dynamics and spatial distribution of soil physical, chemical, and biological properties and their interaction with C, N, and P cycles in the soil for different land covers and weather conditions. The study is being conducted at three locations within Texas Water Observatory (TWO), including Riesel (USDA-ARS experimental watersheds), Texas A&M Agrilife Research Farm, and Danciger forest in Texas. Soil physical, hydraulic, chemical (total C, total N, total P, pH, EC, redox potential, N-NO3-, N-NH4+, PO42-, K, Ca, Mg, Na, Mn, and Alox and Feox), and microbiological (Microbial biomass C, N, and P, PLFA analysis, enzymatic activity) properties are being measured in the top 30 cm of the soil profile. Our preliminary data shows that biogeochemical processes would be more profound in the areas with higher temperature and precipitation as these factors stimulate microbial activity and thus influence C, N, and P cycles. Also concentrations of C and N are greater in woodlands relative to remnant grasslands as a consequence of the greater above- and below-ground productivity of woodlands relative to remnant grasslands. We hypothesize that finer soil textures have more organic matter, microbial population, and reactive surfaces for chemicals than coarse soils, as described in some recent literature. However, the microbial activity may not be active in fine textured soils as organic materials may be sorbed to clay surfaces or protected from decomposing organisms. We also expect reduced condition in saturated soils which will decrease carbon mineralization while increase denitrification and alkalinity in the soil. Spatio-temporal data with initial evaluation of biogeochemical factors/processes for different land covers will be presented.

  20. C:N:P Molar Ratios, Sources and 14C Dating of Surficial Sediments from the NW Slope of Cuba.

    Directory of Open Access Journals (Sweden)

    Guadalupe de la Lanza Espino

    Full Text Available The surficial sediments recovered from 12 sites located near the channel axis of the Florida Straits and the lower slope off NW Cuba were analyzed for total organic carbon (TOC, nitrogen (TN, phosphorus (TP, elemental C:N:P ratios, C and N isotopic values, and 14C dating. The depth profiles of TOC, TN, and TP (0-18 cm displayed a downcore trend and a significant variation. The TOC values were low (0.15 to 0.62%; 66 to 516 µmol g(-1. Sites near the island's lower slope had lower TOC average concentrations (158-333 µmol g(-1 than those closer to the channel axis (averaging 341-516 µmol g(-1; p <0.05. The TN concentrations near the lower slope attained 0.11% (80 µmol g(-1, whereas, towards the channel axis, they decreased to 0.07% (55 µmol g(-1; p<0.05. The C:N ratios ranged from 1.9 to 10.2. The mean molar C:N ratio (5.4 indicated a marine hemipelagic deposition. The TP was lower at sites near the lower slope (38.4 to 50.0 µmol gv; 0.12% to 0.16% than those near the channel axis (50.0 to 66 µmol g(-1; 0.15 to 0.21%. C:P fluctuated from 7.7 to 14.1 in the surficial sediment layer. The bulk organic δ13Corg and δ15N values confirmed pelagic organic sources, and the 14C dating revealed that the sediments were deposited during the Holocene (1000-5000 yr BP. We suggest that the hydrodynamic conditions in the Straits influence vertical and advective fluxes of particulate organic material trapped in the mixed-layer, which reduces the particulate matter flux to the seabed.

  1. Effects of metal binder on the microstructure and mechanical properties of Ti(C,N)-based cermets

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qingzhong; Ai, Xing, E-mail: aixingsdu@163.com; Zhao, Jun; Gong, Feng; Pang, Jiming; Wang, Yintao

    2015-09-25

    Highlights: • Ni–Co binder improves the solid solution reaction and the wetting of hard phases. • Cermets with 25 wt.% binder have evenly distributed grains with moderate rims. • Co/(Ni + Co) ratios influence the grain sizes and microstructure features of cermets. • The cermets with pure Co as binder exhibit optimal mechanical properties. - Abstract: To optimize the mechanical properties of Ti(C,N)-based cermets used as tool materials, the cermets with different Ni–Co binder contents and Co/(Ni + Co) weight ratios were prepared. The effects of metal binder content and Co/(Ni + Co) ratio on the microstructure and mechanical properties of Ti(C,N)-based cermets were investigated by scanning electron microscope (SEM) with energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and measuring the transverse rupture strength (TRS), Vickers hardness (HV) and fracture toughness (K{sub IC}). The experimental results reveal that increasing Ni–Co binder content can increase the thickness of rim phases by improving the solid solution reaction and the wetting of hard phases. The cermets with 25 wt.% binder addition present good comprehensive mechanical properties, which is attributed to the moderate rim phases and uniformly distributed Ti(C,N) grains. The Co/(Ni + Co) weight ratios in binder have a great influence on the grain sizes and microstructure features of Ti(C,N)-based cermets, in virtue of the synergic effects between the wettability of Co and the solubilizing capacity of Ni on hard phases. The cermets with pure Co as binder exhibit optimal mechanical properties with a TRS of 1767 ± 81 MPa, a hardness of 12.26 ± 0.10 GPa and a K{sub IC} of 8.40 ± 0.47 MPa m{sup 1/2}, which meet the requirements for tool materials. And the cermets with a Co/(Ni + Co) ratio of 0.2 have the second best mechanical properties with a TRS of 1848 ± 201 MPa, a hardness of 11.12 ± 0.40 GPa and a K{sub IC} of 9.43 ± 0.54 MPa m{sup 1/2}, in which the lower hardness can

  2. Hard nanocrystalline Zr-B-C-N films with high electrical conductivity prepared by pulsed magnetron sputtering

    Czech Academy of Sciences Publication Activity Database

    Vlček, J.; Steidl, P.; Kohout, J.; Čerstvý, R.; Zeman, P.; Prokšová, S.; Peřina, Vratislav

    2013-01-01

    Roč. 215, JAN 25 (2013), s. 186-191 ISSN 0257-8972. [39th International Conference on Metallurgical Coatings and Thin Films (ICMTF). San Diego, California, 23.04.2012-27.04.2012] Institutional support: RVO:61389005 Keywords : Zr-B-C-N films * nanocomposite materials * pulsed magnetron sputtering * hard ness * high electrical conductivity * osidation resistance Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 2.199, year: 2013 http://www.sciencedirect.com/science/article/pii/S0257897212010584

  3. Paths and Tableaux Descriptions of Jacobi-Trudi Determinant Associated with Quantum Affine Algebra of Type $C_n$

    Directory of Open Access Journals (Sweden)

    Wakako Nakai

    2007-07-01

    Full Text Available We study the Jacobi-Trudi-type determinant which is conjectured to be the $q$-character of a certain, in many cases irreducible, finite-dimensional representation of the quantum affine algebra of type $C_n$. Like the $D_n$ case studied by the authors recently, applying the Gessel-Viennot path method with an additional involution and a deformation of paths, we obtain an expression by a positive sum over a set of tuples of paths, which is naturally translated into the one over a set of tableaux on a skew diagram.

  4. Tableau Formulas for One-Row Macdonald Polynomials of Types C_n and D_n

    Science.gov (United States)

    Feigin, Boris; Hoshino, Ayumu; Noumi, Masatoshi; Shibahara, Jun; Shiraishi, Jun'ichi

    2015-12-01

    We present explicit formulas for the Macdonald polynomials of types C_n and D_n in the one-row case. In view of the combinatorial structure, we call them ''tableau formulas''. For the construction of the tableau formulas, we apply some transformation formulas for the basic hypergeometric series involving very well-poised balanced {}_{12}W_{11} series. We remark that the correlation functions of the deformed W algebra generators automatically give rise to the tableau formulas when we principally specialize the coordinate variables.

  5. Slip-rolling resistance of novel Zr(C,N) thin film coatings under high Hertzian contact pressures

    Energy Technology Data Exchange (ETDEWEB)

    Manier, Charles-Alix

    2010-08-24

    Today, coatings are used in many applications ranging from the decoration purposes to the improvement of efficiency such as in machining tools, medical tools, computer devices (hard disks) and many more. Especially the automotive industry anticipates a benefit in using coatings for example in powertrains and gears where the mechanical components are stressed under slip-rolling motion. A cost effective option to increase efficiency is based on the increase of the load carrying capacity by thin film coatings. It would also represent a way towards downsizing. In the work presented here, a small review concerning rolling contact fatigue of coatings was performed. Experimentally it is then shown, that crystalline Zr(C,N) coatings can be slip-rolling resistant at 120 C in factory fill engine oil up to ten million cycles under average Hertzian contact pressures up to P{sub 0mean} = 1.94 GPa (P{sub 0max} = 2.91 GPa). Basically, it represents here the doubling of the normal force acting on the surface compared to uncoated steel traditionally lubricated with fully formulated oil. Typically, the coated substrates are made of the quenched and tempered bearing steel Cronidur 30. The Zr(C,N) coatings were fully characterized using different characterisation techniques in order to understand the difference in slip-rolling resistance under those high tribological demands. Effectively, the slip-rolling resistance of different batches of the Zr(C,N) coatings is evaluated using a defined and powerful testing procedure. Different results of lifetime were achieved without fundamental changes of the deposition procedure. The characterisation achieved permits the identification of microstructural disparities which should affect the load carrying capacity of the coating. Moreover, the efficiency of the high slip-rolling resistant Zr(C,N) coating was considered not only with respect to the improvement of the load carrying capacity of the substrate but also in terms of tribological

  6. The truncated Hyper-Poisson queues: Hk/Ma,b/C/N with balking, reneging and general bulk service rule

    Directory of Open Access Journals (Sweden)

    Shawky A.I.

    2008-01-01

    Full Text Available The aim of this paper is to derive the analytical solution of the queue: Hk/Ma,b/C/N with balking and reneging in which (I units arrive according to a hyper-Poisson distribution with k independent branches, (II the queue discipline is FIFO; and (III the units are served in batches according to a general bulk service rule. The steady-state probabilities, recurrence relations connecting various probabilities introduced are found and the expected number of units in the queue is derived in an explicit form. Also, some special cases are obtained. .

  7. dimensional architectures via hydrogen bonds

    Indian Academy of Sciences (India)

    Administrator

    organization and has potential applications in the field of magnetism ... The concepts of crystal engineering ... 4. However, the utilization of hydrogen bond supramolecular syn- ... sembling the coordination networks by designing the ligands ...

  8. Hydrogen bonding in tight environments

    DEFF Research Database (Denmark)

    Pirrotta, Alessandro; Solomon, Gemma C.; Franco, Ignacio

    2016-01-01

    The single-molecule force spectroscopy of a prototypical class of hydrogen-bonded complexes is computationally investigated. The complexes consist of derivatives of a barbituric acid and a Hamilton receptor that can form up to six simultaneous hydrogen bonds. The force-extension (F-L) isotherms...... of the host-guest complexes are simulated using classical molecular dynamics and the MM3 force field, for which a refined set of hydrogen bond parameters was developed from MP2 ab initio computations. The F-L curves exhibit peaks that signal conformational changes during elongation, the most prominent...... of which is in the 60-180 pN range and corresponds to the force required to break the hydrogen bonds. These peaks in the F-L curves are shown to be sensitive to relatively small changes in the chemical structure of the host molecule. Thermodynamic insights into the supramolecular assembly were obtained...

  9. Adhesives for orthodontic bracket bonding

    Directory of Open Access Journals (Sweden)

    Déborah Daniella Diniz Fonseca

    2010-04-01

    Full Text Available The advent of acid etching, introduced by Buonocore in 1955, brought the possibility of bonding between the bracket base and enamel, contributing to more esthetic and conservative orthodontics. This direct bracket bonding technique has brought benefits such as reduced cost and time in performing the treatment, as well as making it easier to perform oral hygiene. The aim of this study was to conduct a survey of published studies on orthodontic bracket bonding to dental enamel. It was verified that resin composites and glass ionomer are the most studied and researched materials for this purpose. Resin-modified glass ionomer, with its biocompatibility, capacity of releasing fluoride and no need for acid etching on the tooth structure, has become increasingly popular among dentists. However, due to the esthetic and mechanical properties of light polymerizable resin composite, it continues to be one of the adhesives of choice in the bracket bonding technique and its use is widely disseminated.

  10. Method to improve commercial bonded SOI material

    Science.gov (United States)

    Maris, Humphrey John; Sadana, Devendra Kumar

    2000-07-11

    A method of improving the bonding characteristics of a previously bonded silicon on insulator (SOI) structure is provided. The improvement in the bonding characteristics is achieved in the present invention by, optionally, forming an oxide cap layer on the silicon surface of the bonded SOI structure and then annealing either the uncapped or oxide capped structure in a slightly oxidizing ambient at temperatures greater than 1200.degree. C. Also provided herein is a method for detecting the bonding characteristics of previously bonded SOI structures. According to this aspect of the present invention, a pico-second laser pulse technique is employed to determine the bonding imperfections of previously bonded SOI structures.

  11. Comparative evaluation of shear bond strength of metallic brackets bonded with two different bonding agents under dry conditions and with saliva contamination

    Directory of Open Access Journals (Sweden)

    Mashallah Khanehmasjedi

    2017-02-01

    Conclusion: Application of Single Bond and Assure bonding agents resulted in adequate bond strength of brackets to tooth structures. Contamination with saliva significantly decreased the bond strength of Assure bonding agent compared with dry conditions.

  12. Proposal of new bonding technique 'Instantaneous Liquid Phase (ILP) Bonding'

    International Nuclear Information System (INIS)

    Zhang, Yue-Chang; Nakagawa, Hiroji; Matsuda, Fukuhisa.

    1987-01-01

    A new bonding technique named ''Instantaneous Liquid Phase (ILP) bonding'' suitable mainly for welding dissimilar materials was proposed by which instantaneous melting of one or two of the faying surfaces is utilized. The processes of ILP bonding are mainly consisted of three stages, namely the first stage forming thin liquid layer by rapid heating, the second stage joining both specimens by thin liquid layer, and the third stage cooling the specimens rapidly to avoid the formation of brittle layer. The welding temperatures of the specimens to be welded in ILP bonding are generally differentiated from each other. ILP bonding was applied for a variety of combinations of dissimilar materials of aluminum, aluminum alloys, titanium, titanium alloy, carbon steel, austenitic stainless steel, copper and tungsten, and for similar materials of stainless steel and nickel-base alloy. There were no microvoids in these welding joints, and the formation of brittle layer at the bonding interface was suppressed. The welded joints of Al + Ti, Cu + carbon steel and Cu + austenitic stainless steel showed the fracture in base metal having lower tensile strength. Further, the welded joints of Al + carbon steel, Al alloy + Ti, Al alloy + carbon steel or + austenitic stainless steel, Ti + carbon steel or + austenitic stainless steel showed better tensile properties in the comparison with diffusion welding. Furthermore, ILP bonding was available for welding same materials susceptible to hot cracking. Because of the existence of liquid layer, the welding pressure required was extremely low, and preparation of faying surface by simple tooling or polishing by no.80 emery paper was enough. The change in specimen length before and after welding was relatively little, only depending on the thickness of liquid layer. The welding time was very short, and thus high welding efficiency was obtained. (author)

  13. Shear Bond Strength of Orthodontic Brackets Bonded to Zirconium Crowns.

    Science.gov (United States)

    Mehmeti, Blerim; Azizi, Bleron; Kelmendi, Jeta; Iljazi-Shahiqi, Donika; Alar, Željko; Anić-Milošević, Sandra

    2017-06-01

    An increasing demand for esthetic restorations has resulted in an increased use of all-ceramic restorations, such as zirconium. However, one of the challenges the orthodontist must be willing to face is how to increase bond strength between the brackets and various ceramic restorations.Bond strength can beaffected bybracket type, by the material that bracketsaremade of, and their base surface design or retention mode. ​: A im: of this study was to perform a comparative analysis of the shear bond strength (SBS) of metallic and ceramic orthodontic brackets bonded to all-zirconium ceramic surfaces used for prosthetic restorations, and also to evaluate the fracture mode of these two types of orthodontic brackets. Twenty samples/semi-crowns of all-zirconium ceramic, on which orthodontic brackets were bonded, 10 metallic and 10 ceramic polycrystalline brackets, were prepared for this research. SBS has been testedby Universal Testing Machine, with a load applied using a knife edged rod moving at a fixed rate of 1 mm/min, until failure occurred. The force required to debond the brackets was recorded in Newton, then SBS was calculated to MPa. In addition, the samples were analyzed using a digital camera magnifier to determine Adhesive Remnant Index (ARI). Statistical data were processed using t-test, and the level of significance was set at α = 0.05. Higher shear bond strength values were observed in metallic brackets bonded to zirconium crowns compared tothoseof ceramic brackets, with a significant difference. During the test, two of the ceramic brackets were partially or totally damaged. Metallic brackets, compared to ceramic polycrystalline brackets, seemed tocreate stronger adhesion with all-zirconium surfaces due to their better retention mode. Also, ceramic brackets showed higher fragility during debonding.

  14. Voltage-assisted polymer wafer bonding

    International Nuclear Information System (INIS)

    Varsanik, J S; Bernstein, J J

    2012-01-01

    Polymer wafer bonding is a widely used process for fabrication of microfluidic devices. However, best practices for polymer bonds do not achieve sufficient bond strength for many applications. By applying a voltage to a polymer bond in a process called voltage-assisted bonding, bond strength is shown to improve dramatically for two polymers (Cytop™ and poly(methyl methacrylate)). Several experiments were performed to provide a starting point for further exploration of this technique. An optimal voltage range is experimentally observed with a reduction in bonding strength at higher voltages. Additionally, voltage-assisted bonding is shown to reduce void diameter due to bond defects. An electrostatic force model is proposed to explain the improved bond characteristics. This process can be used to improve bond strength for most polymers. (paper)

  15. Optimising hydrogen bonding in solid wood

    DEFF Research Database (Denmark)

    Engelund, Emil Tang

    2009-01-01

    The chemical bonds of wood are both covalent bonds within the wood polymers and hydrogen bonds within and between the polymers. Both types of bonds are responsible for the coherence, strength and stiffness of the material. The hydrogen bonds are more easily modified by changes in load, moisture...... and temperature distorting the internal bonding state. A problem arises when studying hydrogen bonding in wood since matched wood specimens of the same species will have very different internal bonding states. Thus, possible changes in the bonding state due to some applied treatment such as conditioning...... maintaining 100 % moisture content of the wood. The hypothesis was that this would enable a fast stress relaxation as a result of reorganization of bonds, since moisture plasticizes the material and temperature promotes faster kinetics. Hereby, all past bond distortions caused by various moisture, temperature...

  16. C,N-bipyrazole receptor grafted onto a porous silica surface as a novel adsorbent based polymer hybrid.

    Science.gov (United States)

    Radi, Smaail; Attayibat, Ahmed; El-Massaoudi, Mohamed; Bacquet, Maryse; Jodeh, Shehdeh; Warad, Ismail; Al-Showiman, Salim S; Mabkhot, Yahia N

    2015-10-01

    A simple heterogeneous synthesis of pure adsorbent based polymer hybrid made by condensing a functionalized C,N-bipyrazole with a 3-glycidoxypropyl-trimethoxysilane silylant agent, previously anchored on a silica surface was developed. The formed material (SG2P) was characterized through elemental analysis, FT-IR spectroscopy, (13)C NMR of solid state, scanning electron microscope (SEM), and was studied and evaluated by determination of the surface area using the BET equation, the adsorption and desorption capability using the isotherm of nitrogen and B.J.H. pore sizes. The new material exhibits good thermal stability determined by thermogravimetry curves and good chemical stability was examined in various acidic and buffer solutions (pH 1-7). The binding and adsorption abilities of SG2P were investigated for Hg(2+), Cd(2+), Pb(2+), Zn(2+), K(+), Na(+) and Li(+) cations and compared to the results of classical liquid-liquid extraction with the unbound C,N-bipyrazole compound. The grafting at the surface of silica does not affect complexing properties of the ligand and the SG2P exhibits a high selectivity toward Hg(2+) ion with no complexation being observed towards zinc and alkali metals. The extracted and the complexing cation percentages were determined by atomic absorption measurements. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Climatic variability and its role in regulating C, N and P retention in the James River Estuary

    Science.gov (United States)

    Bukaveckas, Paul A.; Beck, Michael; Devore, Dana; Lee, William M.

    2018-05-01

    Transformations and retention of C, N and P inputs to estuaries are subject to external factors such as discharge-driven variation in loading rates, and internal processes regulating biogeochemical cycles. We used an 8-year time series of finely resolved (monthly) mass balances for the tidal freshwater segment of the James River Estuary to assess the influence of discharge and temperature on C, N and P retention. Peak export and retention of organic, likely particulate, fractions occurred in months of highest discharge. With increasing discharge we observed higher mass retention, greater proportional retention (in relation to inputs) and more selective retention (with P retained preferentially over N and C). DIN retention was strongly influenced by water temperature with 10-fold high retention occurring at high (>20 °C) vs. low (estuaries is in dissolved inorganic form, and therefore subject to temperature dependent rates of biological assimilation and denitrification. By contrast, the bulk of the P load was in particulate form, which is retained via sediment trapping, and not appreciably affected by water temperature. The tidal freshwater estuary was an important site for nutrient removal where the accumulation of N- and P- rich materials may delay recovery in response to nutrient load reductions.

  18. Fate of nutrient enrichment on continental shelves as indicated by the C/N content of bottom sediments

    Energy Technology Data Exchange (ETDEWEB)

    Walsh, J.J.; Premuzic, E.T.; Whitledge, T.E.

    1980-01-01

    The trajectory and fate of particulate matter are poorly understood processes in a spatially heterogeneous coastal ocean. Parameterization of appropriate hydrodynamics for a quantitative description of these loss processes must thus await definition of the important biological time and space scales. Since the bottom sands tend to record the history of the water column, we have selected the C/N content of shelf sediments as a possible tracer of (1) sites of nutrient introduction to the shelf by various physical mechanisms, of (2) areas of subsequent downstream utilization by the phytoplankton, and of (3) where loss of particulate matter might occur from the water column. An analysis is made of the C/N patterns of bottom surface sediments in relation to the nitrogen sources from upwelling, river runoff, and tidal mixing on the Peruvian, west African, Amazonian, Gulf of Mexico, eastern US, Bering, and North Sea shelves in an initial attempt to proscribe the particle trajectories of organic matter on the continental shelf.

  19. Impact of partial nitritation degree and C/N ratio on simultaneous Sludge Fermentation, Denitrification and Anammox process.

    Science.gov (United States)

    Wang, Bo; Peng, Yongzhen; Guo, Yuanyuan; Yuan, Yue; Zhao, Mengyue; Wang, Shuying

    2016-11-01

    This study presents a novel process (i.e. PN/SFDA) to remove nitrogen from low C/N domestic wastewater. The process mainly involves two reactors, a pre-Sequencing Batch Reactor for partial nitritation (termed as PN-SBR) and an anoxic reactor for integrated Denitrification and Anammox with carbon sources produced from Sludge Fermentation (termed as SFDA). During long-term Runs, NO2(-)/NH4(+) ratio (i.e. NO2(-)-N/NH4(+)-N calculated by mole) in the PN-SBR effluent was gradually increased from 0.2 to 37 by extending aerobic duration, meaning that partial nitritation turning to full nitritation could be achieved. Impact of partial nitritation degree on SFDA process was investigated and the result showed that, NO2(-)/NH4(+) ratios between 2 and 10 were appropriate for the co-existence of denitrification and anammox together in the SFDA reactor, and denitrification instead of anammox contributed greater for nitrogen removal. Further batch tests indicated that anammox collaborated well with denitrification at low C/N (1.0 in this study). Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Verification of the dose in the inspection modules of Co-60 from Mexicali, B.C.N. through thermoluminescent dosimetry

    International Nuclear Information System (INIS)

    Cruz C, D.; Azorin, J.; Rivera, T.

    2005-01-01

    On the February and April 2005 months, there entered in operation two inspection modules, in the mexican border city of Mexicali. B.C.N., those which they work based on gamma rays, emitted by sources of 60 Co; this fact generate a concern, on the part of the population of this city. Soon after these events, a group of personages of the local politics, they began a campaign, in favor of closing these modules, based on the supposition, of that the emitted radiation by these sources, represents a danger for health of people that uses the international crossing located to a side of the porter lodge 1, as well as of the population in general. As service to the community border of Mexico specifically to the population of Mexicali, B.C.N. city, inhabitants of this city, municipal, state and federal authorities and, the outstanding preoccupation of the Republic Senate (Commission of Border Affairs), the National Commission of Nuclear Security and Safeguards (CNSNS) they requested the support of the Metropolitan Autonomous University (UAM) and of the National Polytechnic Institute (IPN) to verify the radiation levels in the facilities of the sources of 60 Co of the porter lodges of Mexicali-Calexico proceeding to the monitoring of this facilities in the period of 14-17 June 2005, 17 using thermoluminescent dosemeters elaborated in Mexico. (Author)

  1. Fate of nutrient enrichment on continental shelves as indicated by the C/N content of bottom sediments

    International Nuclear Information System (INIS)

    Walsh, J.J.; Premuzic, E.T.; Whitledge, T.E.

    1980-01-01

    The trajectory and fate of particulate matter are poorly understood processes in a spatially heterogeneous coastal ocean. Parameterization of appropriate hydrodynamics for a quantitative description of these loss processes must thus await definition of the important biological time and space scales. Since the bottom sands tend to record the history of the water column, we have selected the C/N content of shelf sediments as a possible tracer of (1) sites of nutrient introduction to the shelf by various physical mechanisms, of (2) areas of subsequent downstream utilization by the phytoplankton, and of (3) where loss of particulate matter might occur from the water column. An analysis is made of the C/N patterns of bottom surface sediments in relation to the nitrogen sources from upwelling, river runoff, and tidal mixing on the Peruvian, west African, Amazonian, Gulf of Mexico, eastern US, Bering, and North Sea shelves in an initial attempt to proscribe the particle trajectories of organic matter on the continental shelf

  2. Influence of the deposition geometry on the microstructure of sputter-deposited V-Al-C-N coatings

    Energy Technology Data Exchange (ETDEWEB)

    Darma, Susan; Krause, Baerbel; Doyle, Stephen; Mangold, Stefan; Baumbach, Tilo [ISS, Karlsruher Institut fuer Technologie (Germany); Ulrich, Sven; Stueber, Michael [IAM-AWP, Karlsruher Institut fuer Technologie (Germany)

    2012-07-01

    Multi-element hard coating materials such as V-Al-C-N are of great interest for many technological applications. Their mechanical properties depend on the composition and microstructure of the coating. In order to determine the optimum composition and deposition conditions of these complex materials, many samples are required. One powerful tool for reducing the number of experiments is based on the so-called combinatorial approach for thin film deposition: many different thin film samples can be realized simultaneously, exploiting the deposition gradient resulting from codeposition of several materials. We will present an X-ray diffraction study of the influence of the deposition geometry on the microstructure of V-Al-C-N coatings. The films were deposited by reactive RF magnetron sputtering from a segmented target composed of AlN and VC. Synchrotron radiation measurements where performed at the beamline PDIFF at ANKA. Significant texture changes were observed which can be attributed to the deposition geometry, as verified by calculations of the flux distribution. We conclude that codeposition can accelerate significantly the screening of new materials, under the condition that the desired property is not significantly influenced by the microstructural changes due to the deposition geometry.

  3. Integral measurement of the $^{12}$C(n,p)$^{12}$B reaction up to 10 GeV

    CERN Document Server

    Žugec, P; Bosnar, D; Ventura, A; Mengoni, A; Altstadt, S; Andrzejewski, J; Audouin, L; Barbagallo, M; Bécares, V; Bečvář, F; Belloni, F; Berthoumieux, E; Billowes, J; Boccone, V; Brugger, M; Calviani, M; Calviño, F; Cano-Ott, D; Carrapiço, C; Cerutti, F; Chiaveri, E; Chin, M; Cortés, G; Cortés-Giraldo, M.A; Cosentino, L; Diakaki, M; Domingo-Pardo, C; Dressler, R; Duran, I; Eleftheriadis, C; Ferrari, A; Finocchiaro, P; Fraval, K; Ganesan, S; García, A R; Giubrone, G; Gómez-Hornillos, M B; Gonçalves, I F; González-Romero, E; Griesmayer, E; Guerrero, C; Gunsing, F; Gurusamy, P; Heinitz, S; Jenkins, D G; Jericha, E; Käppeler, F; Karadimos, D; Kivel, N; Kokkoris, M; Krtička, M; Kroll, J; Langer, C; Lederer, C; Leeb, H; Leong, L S; Meo, S Lo; Losito, R; Manousos, A; Marganiec, J; Martínez, T; Massimi, C; Mastinu, P; Mastromarco, M; Mendoza, E; Milazzo, P M; Mingrone, F; Mirea, M; Mondalaers, W; Musumarra, A; Paradela, C; Pavlik, A; Perkowski, J; Plompen, A; Praena, J; Quesada, J; Rauscher, T; Reifarth, R; Riego, A; Roman, F; Rubbia, C; Sarmento, R; Saxena, A; Schillebeeckx, P; Schmidt, S; Schumann, D; Tagliente, G; Tain, J L; Tarrío, D; Tassan-Got, L; Tsinganis, A; Valenta, S; Vannini, G; Variale, V; Vaz, P; Versaci, R; Vermeulen, M J; Vlachoudis, V; Vlastou, R; Wallner, A; Ware, T; Weigand, M; Weiß, C; Wright, T

    2016-01-01

    The integral measurement of the $^{12}$C(n,p)$^{12}$B reaction was performed at the neutron time of flight facility n_TOF at CERN. The total number of $^{12}$B nuclei produced per neutron pulse of the n_TOF beam was determined using the activation technique in combination with a time of flight technique. The cross section is integrated over the n_TOF neutron energy spectrum from reaction threshold at 13.6 MeV to 10 GeV. Having been measured up to 1 GeV on basis of the $^{235}$U(n,f) reaction, the neutron energy spectrum above 200 MeV has been reevaluated due to the recent extension of the cross section reference for this particular reaction, which is otherwise considered a standard up to 200 MeV. The results from the dedicated GEANT4 simulations have been used to evaluate the neutron flux from 1 GeV up to 10 GeV. The experimental results related to the $^{12}$C(n,p)$^{12}$B reaction are compared with the evaluated cross sections from major libraries and with the predictions of different GEANT4 models, which m...

  4. Effects of C/N ratio on nitrate removal and floc morphology of autohydrogenotrophic bacteria in a nitrate-containing wastewater treatment process.

    Science.gov (United States)

    Nguyen, Tran Ngoc Phu; Chao, Shu-Ju; Chen, Pei-Chung; Huang, Chihpin

    2018-07-01

    The effects of C/N ratio of a nitrate-containing wastewater on nitrate removal performed by autohydrogenotrophic bacteria as well as on the morphological parameters of floc such as floc morphology, floc number distribution, mean particle size (MPS), aspect ratio and transparency were examined in this study. The results showed that the nitrate reduction rate increased with increasing C/N ratio from 0.5 to 10 and that the nitrogen removal of up to 95% was found at the C/N ratios of higher than 5 (between 0.5-10). Besides, high C/N ratio values reflected a corresponding high nitrite accumulation after 12-hr operation, and a fast decreasing rate of nitrite in the rest of operational time. The final pH values increased with the C/N ratio increasing from 0.5 to 2.5, but decreased with the C/N ratio increasing from 2.5 to 10. There were no significant changes in floc morphology with the MPSs ranging from 35 to 40μm. Small and medium-sized flocs were dominant in the sludge suspension, and the number of flocs increased with the increasing C/N ratios. Furthermore, the highest apparent frequency of 10% was observed at aspect ratios of 0.5 and 0.6, while the transparency of flocs changed from 0.1 to 0.7. Copyright © 2017. Published by Elsevier B.V.

  5. "Vibrational bonding": a new type of chemical bond is discovered.

    Science.gov (United States)

    Rhodes, Christopher J; Macrae, Roderick M

    2015-01-01

    A long-sought but elusive new type of chemical bond, occurring on a minimum-free, purely repulsive potential energy surface, has recently been convincingly shown to be possible on the basis of high-level quantum-chemical calculations. This type of bond, termed a vibrational bond, forms because the total energy, including the dynamical energy of the nuclei, is lower than the total energy of the dissociated products, including their vibrational zero-point energy. For this to be the case, the ZPE of the product molecule must be very high, which is ensured by replacing a conventional hydrogen atom with its light isotope muonium (Mu, mass = 1/9 u) in the system Br-H-Br, a natural transition state in the reaction between Br and HBr. A paramagnetic species observed in the reaction Mu +Br2 has been proposed as a first experimental sighting of this species, but definitive identification remains challenging.

  6. Enamel Bond Strength of New Universal Adhesive Bonding Agents.

    Science.gov (United States)

    McLean, D E; Meyers, E J; Guillory, V L; Vandewalle, K S

    2015-01-01

    Universal bonding agents have been introduced for use as self-etch or etch-and-rinse adhesives depending on the dental substrate and clinician's preference. The purpose of this study was to evaluate the shear bond strength (SBS) of composite to enamel using universal adhesives compared to a self-etch adhesive when applied in self-etch and etch-and-rinse modes over time. Extracted human third molars were used to create 120 enamel specimens. The specimens were ground flat and randomly divided into three groups: two universal adhesives and one self-etch adhesive. Each group was then subdivided, with half the specimens bonded in self-etch mode and half in etch-and-rinse mode. The adhesives were applied as per manufacturers' instructions, and composite was bonded using a standardized mold and cured incrementally. The groups were further divided into two subgroups with 10 specimens each. One subgroup was stored for 24 hours and the second for six months in 37°C distilled water and tested in shear. Failure mode was also determined for each specimen. A three-way analysis of variance (ANOVA) found a significant difference between groups based on bonding agent (p0.05). Clearfil SE in etch-and-rinse and self-etch modes had more mixed fractures than either universal adhesive in either mode. Etching enamel significantly increased the SBS of composite to enamel. Clearfil SE had significantly greater bond strength to enamel than either universal adhesive, which were not significantly different from each other.

  7. Common Factors in International Bond Returns

    NARCIS (Netherlands)

    Driessen, J.J.A.G.; Melenberg, B.; Nijman, T.E.

    2000-01-01

    In this paper we estimate and interpret the factors that jointly determine bond returns of different maturities in the US, Germany and Japan.We analyze both currency-hedged and unhedged bond returns.For currency-hedged bond returns, we find that five factors explain 96.5% of the variation of bond

  8. 7 CFR 1726.27 - Contractor's bonds.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 11 2010-01-01 2010-01-01 false Contractor's bonds. 1726.27 Section 1726.27... AGRICULTURE ELECTRIC SYSTEM CONSTRUCTION POLICIES AND PROCEDURES General § 1726.27 Contractor's bonds. (a) RUS Form 168b, Contractor's Bond, shall be used when a contractor's bond is required by RUS Forms 200, 257...

  9. Oregon School Bond Manual. Fourth Edition.

    Science.gov (United States)

    Oregon State Dept. of Education, Salem.

    The manual is intended to guide attorneys and officials of school districts in the issuance and sale of school district bonds. Purchasers of school district bonds rely on the recommendations of accredited bond attorneys who render opinions concerning the validity and legality of bond issues offered for sale. This manual is designed to assist in…

  10. Oregon School Bond Manual. Fifth Edition.

    Science.gov (United States)

    Oregon State Dept. of Education, Salem.

    To help school districts comply with Oregon's school bond laws, this manual provides guidelines for school district attorneys and personnel in the issuance and sale of school bonds. The document describes the proper time sequence of the bonding procedure, including elections, school board authorizations, necessary certificates, bond registration…

  11. Deriving the bond pricing equation

    Directory of Open Access Journals (Sweden)

    Kožul Nataša

    2014-01-01

    Full Text Available Given the recent focus on Eurozone debt crisis and the credit rating downgrade not only of US debt, but that of other countries and many UK major banking institutions, this paper aims to explain the concept of bond yield, its different measures and bond pricing equation. Yields on capital market instruments are rarely quoted on the same basis, which makes direct comparison between different as investment choices impossible. Some debt instruments are quoted on discount basis, whilst coupon-bearing ones accrue interest differently, offer different compounding opportunities, have different coupon payment frequencies, and manage non-business day maturity dates differently. Moreover, rules governing debt vary across countries, markets and currencies, making yield calculation and comparison a rather complex issue. Thus, some fundamental concepts applicable to debt instrument yield measurement, with focus on bond equation, are presented here. In addition, bond equation expressed in annuity form and used to apply Newton-Raphson algorithm to derive true bond yield is also shown.

  12. Welding, Bonding and Fastening, 1984

    Science.gov (United States)

    Buckley, J. D. (Editor); Stein, B. A. (Editor)

    1985-01-01

    A compilation of papers presented in a joint NASA, American Society for Metals, The George Washington University, American Welding Soceity, and Society of Manufacturing Engineers conference on Welding, Bonding, and Fastening at Langley Research Center, Hampton, VA, on October 23 to 25, 1984 is given. Papers were presented on technology developed in current research programs relevant to welding, bonding, and fastening of structural materials required in fabricating structures and mechanical systems used in the aerospace, hydrospace, and automotive industries. Topics covered in the conference included equipment, hardware and materials used when welding, brazing, and soldering, mechanical fastening, explosive welding, use of unique selected joining techniques, adhesives bonding, and nondestructive evaluation. A concept of the factory of the future was presented, followed by advanced welding techniques, automated equipment for welding, welding in a cryogenic atmosphere, blind fastening, stress corrosion resistant fasteners, fastening equipment, explosive welding of different configurations and materials, solid-state bonding, electron beam welding, new adhesives, effects of cryogenics on adhesives, and new techniques and equipment for adhesive bonding.

  13. Three methods to measure RH bond energies

    International Nuclear Information System (INIS)

    Berkowitz, J.; Ellison, G.B.; Gutman, D.

    1993-01-01

    In this paper the authors compare and contrast three powerful methods for experimentally measuring bond energies in polyatomic molecules. The methods are: radical kinetics; gas phase acidity cycles; and photoionization mass spectroscopy. The knowledge of the values of bond energies are a basic piece of information to a chemist. Chemical reactions involve the making and breaking of chemical bonds. It has been shown that comparable bonds in polyatomic molecules, compared to the same bonds in radicals, can be significantly different. These bond energies can be measured in terms of bond dissociation energies

  14. Seasonal variation in marine C:N:P stoichiometry: can the composition of seston explain stable Redfield ratios?

    Directory of Open Access Journals (Sweden)

    H. Frigstad

    2011-10-01

    Full Text Available Seston is suspended particulate organic matter, comprising a mixture of autotrophic, heterotrophic and detrital material. Despite variable proportions of these components, marine seston often exhibits relatively small deviations from the Redfield ratio (C:N:P = 106:16:1. Two time-series from the Norwegian shelf in Skagerrak are used to identify drivers of the seasonal variation in seston elemental ratios. An ordination identified water mass characteristics and bloom dynamics as the most important drivers for determining C:N, while changes in nutrient concentrations and biomass were most important for the C:P and N:P relationships. There is no standardized method for determining the functional composition of seston and the fractions of POC, PON and PP associated with phytoplankton, therefore any such information has to be obtained by indirect means. In this study, a generalized linear model was used to differentiate between the live autotrophic and non-autotrophic sestonic fractions, and for both stations the non-autotrophic fractions dominated with respective annual means of 76 and 55%. This regression model approach builds on assumptions (e.g. constant POC:Chl-a ratio and the robustness of the estimates were explored with a bootstrap analysis. In addition the autotrophic percentage calculated from the statistical model was compared with estimated phytoplankton carbon, and the two independent estimates of autotrophic percentage were comparable with similar seasonal cycles. The estimated C:nutrient ratios of live autotrophs were, in general, lower than Redfield, while the non-autotrophic C:nutrient ratios were higher than the live autotrophic ratios and above, or close to, the Redfield ratio. This is due to preferential remineralization of nutrients, and the P content mainly governed the difference between the sestonic fractions. Despite the seasonal variability in seston composition and the generally low contribution of autotrophic

  15. [Evaluation of central lymph node dissection for papillary thyroid carcinoma in cN0 T1/T2].

    Science.gov (United States)

    Zhao, S Y; Ma, Y H; Yin, Z; Zhan, X X; Cheng, R C; Qian, J

    2018-02-07

    Objective: To evaluate the application of the central lymph node dissection (CLND) for papillary thyroid carcinoma (PTC) in cN0 T1/T2. Methods: Retrospective analysis of 532 cases with PTC in cN0 T1/T2 who underwent CLND between October 2014 and September 2016 in the Department of Thyroid Surgery, the First Affiliated Hospital of the Kunming Medical University. The incidence of central lymph node (CLN) metastasis and risk factors were analyzed. Results: CLN metastasis rates: 41.2% (42/102) in males vs 34.9% (150/430) in females, P =0.252; 33.9% (116/342) in single focal carcinoma vs 40.4% (74/183) in multifocal carcinoma, P =0.157; 44.0% (125/284) in patients with 45 years old or less vs 27.0% (67/248) in patients more than 45 years old, P =0.000; 30.3% (113/373) in microcarcinoma vs 50.9% (81/159) in non-microcarcinoma, P =0.000.In unilateral lesions, ipsilateral CLN metastasis was correlated with the tumor diameter ( P =0.012), but not with the number of lesions ( P =0.653). also contralateral CLN metastasis was correlated with the tumor diameter ( P =0.000), but not with the number of lesions ( P =0.815). For the left or right unilateral single focal lesion, the tumor diameter was not correlated with the metastasis of the posterior to right recurrent laryngeal nerve central lymph nodes (LN-prRLN-CLN) ( P =0.652, P =0.088). But in bilateral multifocal carcinoma the tumor diameter was correlated with metastasis of LN-prRLN-CLN ( P =0.039). Conclusions: Prophylactic CLND is reasonable for PTC in cN0 T1/T2. A bilateral CLND should be conducted for patients with bilateral multi-focus cancer and unilateral or bilateral non-microcarcinoma, especially in patients more than 45 years old. For unilateral single focal microcarcinoma on the right, the content of CLND should be from laryngeal nerve on right center to posterior branche; for unilateral single focal microcarcinoma on the left side, the left CLND should be conducted. An ipsilateral CLND can be considered in

  16. Diffusionless bonding of aluminum to Zircaloy-2

    International Nuclear Information System (INIS)

    Watson, R.D.

    1965-04-01

    Aluminum can be bonded to zirconium without difficulty even when a thin layer of oxide is present on the surface of the zirconium . No detectable diffusion takes place during the bonding process. The bond layer can be stretched as much. as 8% without affecting the bond. The bond can be heated for 1000 hours at 260 o C (500 o F), and can be water quenched from 260 o C (500 o F) without any noticeable change in the bond strength. An extrusion technique has been devised for making transition sections of aluminum bonded to zirconium which can then be used to join these metals by conventional welding. Welding can be done close to the bond zone without seriously affecting the integrity of the bond. This method of bonding aluminum to Zircaloy-2 is covered by Canadian patent 702,438 January 26, 1965. (author)

  17. Pricing catastrophic bonds for earthquakes in Mexico

    OpenAIRE

    Cabrera, Brenda López

    2006-01-01

    After the occurrence of a natural disaster, the reconstruction can be financed with catastrophic bonds (CAT bonds) or reinsurance. For insurers, reinsurers and other corporations CAT bonds provide multi year protection without the credit risk present in reinsurance. For investors CAT bonds offer attractive returns and reduction of portfolio risk, since CAT bonds defaults are uncorrelated with defaults of other securities. As the study of natural catastrophe models plays an important role in t...

  18. Two Comments on Bond Angles

    Science.gov (United States)

    Glaister, P.

    1997-09-01

    Tetrahedral Bond Angle from Elementary Trigonometry The alternative approach of using the scalar (or dot) product of vectors enables the determination of the bond angle in a tetrahedral molecule in a simple way. There is, of course, an even more straightforward derivation suitable for students who are unfamiliar with vectors, or products thereof, but who do know some elementary trigonometry. The starting point is the figure showing triangle OAB. The point O is the center of a cube, and A and B are at opposite corners of a face of that cube in which fits a regular tetrahedron. The required bond angle alpha = AÔB; and using Pythagoras' theorem, AB = 2(square root 2) is the diagonal of a face of the cube. Hence from right-angled triangle OEB, tan(alpha/2) = (square root 2) and therefore alpha = 2tan-1(square root 2) is approx. 109° 28' (see Fig. 1).

  19. FATHER, SOCIAL BOND AND WOMEN

    Directory of Open Access Journals (Sweden)

    SYLVIA DE CASTRO KORGI

    2006-05-01

    Full Text Available On the cross-point of two of the most important and inseparable Freudian questions: What is a father?and, What a woman wants?, this paper begins a reflection about the women’s place in the Freudianarticulation of the relationship between the father and the social bond. In fact, the Freudian father, thanksto the law mediation which he is its agent, has as a function the regulation of the pleasure that participatesin the social bond, making this way possible the human community. On the other hand, the support ofthe human community is the bond among brothers, as well as Freud presents it in his foundational textof the Law. How to precise the women’s place in this arrangement? The reflection stands out this thatexceeds the Father’s Law and that Freud sets on women’s account, initially under the figure of heropposition to the culture.

  20. Medieval orality, mothers, and bonding.

    Science.gov (United States)

    Schwartz, Scott C

    2004-01-01

    The role of women in the Middle Ages was vilification, veneration, and exclusion. Due to the high rates of maternal and infant mortality bonding shifted from the mother-child dyad to one in which the Church, Holy Family, and king acted as pseudo-parents. In art this is suggested by the virtual absence of eye contact between the Virgin and Christ-child. Frustration of early oral needs consequent to lack of adequate mother-child bonding prompted a reactive emphasis on orality in art and legend. A decrease in infant mortality and a reciprocal improvement in mother child bonding contributed to cultural shifts in how self-realization would be accomplished during the Renaissance and in the later emergence of secular humanism.

  1. 13C n.m.r. study of solvation mechanisms in the radiation-induced polymerization of vinyl ethers

    International Nuclear Information System (INIS)

    Deffieux, A.; Subira, F.; Stannett, V.T.

    1984-01-01

    A 13 C n.m.r. study of the microstructure of ethyl vinyl ether (EVE) and isopropyl vinyl ether (IPVE) polymers prepared under various experimental conditions and using chemical or γ-ray initiation has been made. Long stereo-sequence assignments were conducted for poly EVE allowing determination of the configurational statistics of propagation in the radiation-induced polymerization of EVE in low polar solvents. Stereo-sequence intensities are found in good agreement with the Markovian model. The results are considered as further support for the occurrence of a specific interaction between the growing active centres and the polymer chains. In the case of IPVE polymers much more important overlappings of the resonance patterns are observed thus preventing any similar detailed study. (author)

  2. 12C(n , 2 n )11C cross section from threshold to 26.5 MeV

    Science.gov (United States)

    Yuly, M.; Eckert, T.; Hartshaw, G.; Padalino, S. J.; Polsin, D. N.; Russ, M.; Simone, A. T.; Brune, C. R.; Massey, T. N.; Parker, C. E.; Fitzgerald, R.; Sangster, T. C.; Regan, S. P.

    2018-02-01

    The 12C(n ,2 n )11C cross section was measured from just below threshold to 26.5 MeV using the Pelletron accelerator at Ohio University. Monoenergetic neutrons, produced via the 3H(d ,n )4He reaction, were allowed to strike targets of polyethylene and graphite. Activation of both targets was measured by counting positron annihilations resulting from the β+ decay of 11C. Annihilation gamma rays were detected, both in coincidence and singly, using back-to-back NaI detectors. The incident neutron flux was determined indirectly via 1H(n ,p ) protons elastically scattered from the polyethylene target. Previous measurements fall into upper and lower bands; the results of the present measurement are consistent with the upper band.

  3. The 12C(n, 2n)11C cross section from threshold to 26.5 MeV.

    Science.gov (United States)

    Yuly, M; Eckert, T; Hartshaw, G; Padalino, S J; Polsin, D N; Russ, M; Simone, A T; Brune, C R; Massey, T N; Parker, C E; Fitzgerald, R; Sangster, T C; Regan, S P

    2018-02-01

    The 12 C(n, 2n) 11 C cross section was measured from just below threshold to 26.5 MeV using the Pelletron accelerator at Ohio University. Monoenergetic neutrons, produced via the 3 H(d,n) 4 He reaction, were allowed to strike targets of polyethylene and graphite. Activation of both targets was measured by counting positron annihilations resulting from the β + decay of 11 C. Annihilation gamma rays were detected, both in coincidence and singly, using back-to-back NaI detectors. The incident neutron flux was determined indirectly via 1 H(n,p) protons elastically scattered from the polyethylene target. Previous measurements fall into upper and lower bands; the results of the present measurement are consistent with the upper band.

  4. The Precipitation Products Generation Chain for the EUMETSAT Hydrological Satellite Application Facility at C.N.M.C.A.

    Science.gov (United States)

    Zauli, Francesco; Biron, Daniele; Melfi, Davide

    2009-11-01

    The EUMETSA T Satellite Application Facility in support to Hydrology (H-SAF) focuses on the development of new geophysical products on precipitation, soil moisture and snow parameters and the utilisation of these parameters in hydrological models, NWP models and water management. The development phase of the H-SAF started in September 2005 under the leadership of Italian Meteorological Service.The Centro Nazionale di Meteorologia e Climatologia Aeronautica (C.N.M.C.A.), the Italian National Weather Centre, that physically hosts the generation chain of precipitation products, developed activities to reach the final target: development of algorithms, validation of results, implementation of operative procedure to supply the service and to monitor the service performances.The paper shows the recent architectural review of H- SAF precipitation group, stressing components of operation for high sustainability, full redundancy, absolute continuity of service.

  5. C.N. Cofrentes power up-rate up to 110 %. A challenge for cycle 14 core design

    International Nuclear Information System (INIS)

    Gomez Bernal, M.I.; Lopez Carbonell, M.T.; Garcia Delgado, L.

    2001-01-01

    C.N.Cofrentes is a GE design BWR reactor with 624 bundles in the core, a rated power of 2894 MWt and it is currently operating Cycle 13 at 104.2 % power. Commercial operation started in 1984 with 12-month cycles at rated power. Both cycle length and thermal power have been increased since then. Power has been up-rated in two steps, first at 102 % in Cycle 4 and later in Cycle 11 at 104.2%. Cycle length has been extended from the original 12-month to the currently 18-month cycles. Next cycle, Cycle 14, will be an 18-month cycle operating at 110 % power. This goal is a challenge for the in-house nuclear design team. Start up for Cycle 14 is planned for the first quarter of 2002. (author)

  6. Synthesis and characterization of Ti-Si-C-N nanocomposite coatings prepared by a filtered vacuum arc method

    Energy Technology Data Exchange (ETDEWEB)

    Thangavel, Elangovan, E-mail: t.elangophy@gmail.com [Advanced Thin Film Research Group, Materials Processing Division, Korea Institute of Materials Science, Changwon 641-831 (Korea, Republic of); Center for Nano-Wear, Yonsei University, Seoul 120-749 (Korea, Republic of); Lee, Seunghun; Nam, Kee-Seok; Kim, Jong-Kuk [Advanced Thin Film Research Group, Materials Processing Division, Korea Institute of Materials Science, Changwon 641-831 (Korea, Republic of); Kim, Do-Geun, E-mail: dogeunkim@kims.re.kr [Advanced Thin Film Research Group, Materials Processing Division, Korea Institute of Materials Science, Changwon 641-831 (Korea, Republic of)

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer Preparation method was used as filtered vacuum arc (FVA) deposition. Black-Right-Pointing-Pointer Ternary coating obtained by using single carbon source with TMS gas. Black-Right-Pointing-Pointer Detailed discussion of chemical nature for these coating by using XPS. - Abstract: Ti-Si-C-N nanocomposite coatings were synthesized by a filtered vacuum arc (FVA) technique. A metal organic precursor, tetramethylsilane (TMS), was used as a source for silicon and carbon to deposit the Ti-Si-C-N nanocomposite coating with a Ti cathode source. The chemical and microstructural properties of the as-deposited coatings were systematically investigated using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and transmission electron microscopy (TEM). Nanoindentation and scratch tests were carried out to evaluate the mechanical and adhesion properties of the coatings. From the XPS analysis, it was found that the Si content in the coating increased from 2 to 16 at.% as the TMS flow rate was increased from 5 to 20 sccm. The TEM analysis clearly demonstrated that the coatings were composed of crystalline TiCN along with amorphous Si{sub 3}N{sub 4} as a secondary phase. From the XRD results, it was found that the crystallite size of TiCN increased with increasing Si content. The microstructure and mechanical properties of the TiSiCN coatings prepared by this method exhibited strong dependencies on the silicon content. A maximum hardness of 49 GPa and a coefficient of friction of 0.17 were obtained for the film with a silicon content of 3 at.%.

  7. Simultaneous bond degradation and bond formation during phenol-formaldehyde curing with wood

    Science.gov (United States)

    Daniel J. Yelle; John Ralph

    2016-01-01

    Bonding of wood using phenol–formaldehyde adhesive develops highly durable bonds. Phenol– formaldehyde is believed to form primary bonds with wood cell wall polymers (e.g., lignin). However, it is unclear how this adhesive interacts and bonds to lignin. Through wood solubilisation methodologies, earlywood and latewood bonded assemblies were characterized using two-...

  8. Bond Pricing with Default Risk

    OpenAIRE

    Saa-Requejo, Jesus; Santa-Clara, Pedro

    1997-01-01

    We offer a new model for pricing bonds subject to default risk. The event of default is remodeled as the first time that a state variable that captures the solvency of the issue goes below a certain level. The payoff to the bond in case of default is a constant fraction of the value of a security with the same promised payoffs but without the risk of default. We show that our model is very tractable under different models of interest rate risk and of the interaction between default risk and i...

  9. The Strength of Hydrogen Bonds between Fluoro-Organics and Alcohols, a Theoretical Study.

    Science.gov (United States)

    Rosenberg, Robert E

    2018-05-10

    Fluorinated organic compounds are ubiquitous in the pharmaceutical and agricultural industries. To better discern the mode of action of these compounds, it is critical to understand the strengths of hydrogen bonds involving fluorine. There are only a few published examples of the strengths of these bonds. This study provides a high level ab initio study of inter- and intramolecular hydrogen bonds between RF and R'OH, where R and R' are aryl, vinyl, alkyl, and cycloalkyl. Intermolecular binding energies average near 5 kcal/mol, while intramolecular binding energies average about 3 kcal/mol. Inclusion of zero-point energies and applying a counterpoise correction lessen the difference. In both series, modest increases in binding energies are seen with increased acidity of R'OH and increased electron donation of R in RF. In the intramolecular compounds, binding energy increases with the rigidity of the F-(C) n -OH ring. Inclusion of free energy corrections at 298 K results in exoergic binding energies for the intramolecular compounds and endoergic binding energies for the intermolecular compounds. Parameters such as bond lengths, vibrational frequencies, and atomic populations are consistent with formation of a hydrogen bond and with slightly stronger binding in the intermolecular cases over the intramolecular cases. However, these parameters correlated poorly with binding energies.

  10. Fretting wear behaviour of TiC/Ti(C,N)/TiN multi-layer coatings at elevated temperature in gross slip regime

    International Nuclear Information System (INIS)

    Liu Hanwei; Huang Kunpeng; Zhu Minhao; Zhou Zhongrong

    2005-01-01

    Tic/Ti(C,N)/TiN multi-layer coatings are prepared on the 1Cr13 stainless steel substrate by the technique of Chemical Vapour Deposition, and the fretting wear behaviour of 1Cr13 stainless steel and TiC/Ti(C,N)/TiN coatings are investigated and studied controversially from 25 degree C to 400 degree C in the gross slip regime. It shows that the temperature has great influence on the fretting wear in the gross slip regime for the 1Cr13 stainless steel but little for Ti/C/Ti(C,N)/TiN multi-layer coatings. With the temperature increasing, the friction coefficient and the wear volume of the 1Cr13 alloy decreases and the wear volume of TiC/Ti(C, N)/TiN multi-layer coatings is invariant. TiC/Ti(C,N)/TiN multi-layer coatings have better wear-resistant capability than the 1Cr13 stainless steel, but the wear volume of the substrate increases greatly because of the grain-abrasion resulted from hard debris when TiC/Ti(C,N)/TiN multi-layer coatings are ground off. (authors)

  11. Reaction-bonded silicon nitride

    International Nuclear Information System (INIS)

    Porz, F.

    1982-10-01

    Reaction-bonded silicon nitride (RBSN) has been characterized. The oxidation behaviour in air up to 1500 0 C and 3000 h and the effects of static and cyclic oxidation on room-temperature strength have been studied. (orig./IHOE) [de

  12. Breaking Rules – Making Bonds

    Indian Academy of Sciences (India)

    IAS Admin

    unusual because it has a pair of non-bonding electrons. So we would classify it ... you would expect the boron to be electron rich with a formal oxidation state of ... Principles of Structure and Reactivity, 4th Edition, Pearson Education, 2008. [3].

  13. Essays on European bond markets

    NARCIS (Netherlands)

    Cheung, Y.C.

    2005-01-01

    This dissertation focused on a number of issues that are of importance in the current European bond market. In the past years, the fiscal policy of the Eurozone members, advances in the technology of trading platforms and the introduction of a single currency have reshaped the fixed income markets

  14. Analysis of Disulfide Bond Formation

    NARCIS (Netherlands)

    Braakman, Ineke; Lamriben, Lydia; van Zadelhoff, Guus; Hebert, Daniel N.

    2017-01-01

    In this unit, protocols are provided for detection of disulfide bond formation in cultures of intact cells and in an in vitro translation system containing isolated microsomes or semi-permeabilized cells. First, the newly synthesized protein of interest is biosynthetically labeled with radioactive

  15. [Posterior ceramic bonded partial restorations].

    Science.gov (United States)

    Mainjot, Amélie; Vanheusden, Alain

    2006-01-01

    Posterior ceramic bonded partial restorations are conservative and esthetic approaches for compromised teeth. Overlays constitute a less invasive alternative for tooth tissues than crown preparations. With inlays and onlays they are also indicated in case of full arch or quadrant rehabilitations including several teeth. This article screens indications and realization of this type of restorations.

  16. Adhesive bonding of wood materials

    Science.gov (United States)

    Charles B. Vick

    1999-01-01

    Adhesive bonding of wood components has played an essential role in the development and growth of the forest products industry and has been a key factor in the efficient utilization of our timber resource. The largest use of adhesives is in the construction industry. By far, the largest amounts of adhesives are used to manufacture building materials, such as plywood,...

  17. Hydrogen-bonding interactions in thiosemicarbazones of carboxylic acids: Structure of 2-ketobutyric acid thiosemicarbazone hemihydrate

    International Nuclear Information System (INIS)

    Sonawane, P.; Chikate, R.; Kumbhar, A.; Padhye, S.; Doedens, R.J.

    1991-01-01

    2-Thiosemicarbazonobutanoic acid hemihydrate, C 5 H 9 N 3 O 2 S.0.5H 2 O, M r =184.22, triclinic, Panti 1, a=8.163(2), b=8.868(2), c=12.438(2) A, α=72.99(2), β=79.47(2), γ=84.06(2)deg, V=845.3(3) A 3 , Z=4, D x =1.447 Mg m -3 , λ(Mo Kα)=0.71073 A, μ=0.332 mm -1 , F(000)=392, T=296 K, R=0.038 for 3830 independent reflections with I>3σ(I). Three hydrogen bonds link the two crystallographically independent molecules in a pairwise fashion. The two molecules both have E configurations about each C-N and N-N bond, but differ by nearly 180deg in the orientation of the -COOH group. (orig.)

  18. Crystal structure of poly[N,N-diethyl-2-hy-droxy-ethan-1-aminium [μ3-cyanido-κ(3) C:C:N-di-μ-cyanido-κ(4) C:N-dicuprate(I)

    Science.gov (United States)

    Corfield, Peter W R; Cleary, Emma; Michalski, Joseph F

    2016-07-01

    In the title compound, {(C6H16NO)[Cu2(CN)3]} n , the cyanide groups link the Cu(I) atoms into an open three-dimensional anionic network, with the mol-ecular formula Cu2(CN)3 (-). One Cu(I) atom is tetra-hedrally bound to four CN groups, and the other Cu(I) atom is bonded to three CN groups in an approximate trigonal-planar coordination. The tetra-hedrally coordinated Cu(I) atoms are linked into centrosymmetric dimers by the C atoms of two end-on bridging CN groups which bring the Cu(I) atoms into close contact at 2.5171 (7) Å. Two of the cyanide groups bonded to the Cu(I) atoms with trigonal-planar surrounding link the dimeric units into columns along the a axis, and the third links the columns together to form the network. The N,N-di-ethyl-ethano-lamine mol-ecules used in the synthesis have become protonated at the N atoms and are situated in cavities in the network, providing charge neutrality, with no covalent inter-actions between the cations and the anionic network.

  19. Crystal structure of poly[N,N-diethyl-2-hydroxyethan-1-aminium [μ3-cyanido-κ3C:C:N-di-μ-cyanido-κ4C:N-dicuprate(I

    Directory of Open Access Journals (Sweden)

    Peter W. R. Corfield

    2016-07-01

    Full Text Available In the title compound, {(C6H16NO[Cu2(CN3]}n, the cyanide groups link the CuI atoms into an open three-dimensional anionic network, with the molecular formula Cu2(CN3−. One CuI atom is tetrahedrally bound to four CN groups, and the other CuI atom is bonded to three CN groups in an approximate trigonal-planar coordination. The tetrahedrally coordinated CuI atoms are linked into centrosymmetric dimers by the C atoms of two end-on bridging CN groups which bring the CuI atoms into close contact at 2.5171 (7 Å. Two of the cyanide groups bonded to the CuI atoms with trigonal-planar surrounding link the dimeric units into columns along the a axis, and the third links the columns together to form the network. The N,N-diethylethanolamine molecules used in the synthesis have become protonated at the N atoms and are situated in cavities in the network, providing charge neutrality, with no covalent interactions between the cations and the anionic network.

  20. Strength of Bond Covenants and Bond Assessment Framework

    Directory of Open Access Journals (Sweden)

    Noel Yahanpath

    2012-06-01

    Full Text Available We examine bond covenants of 29 New Zealand bond issues between 2001 and 2007.Results from the study indicate that protection provided for bondholders is weak and limited.On average, only 2-3 types of covenants are embedded with the issues and only 27% of thesecovenants provide full protection to the bondholders. However, bondholders are not compensated for taking the additional risk. We propose an alternative assessment framework that directly assesses the level of protection offered to bondholders. We calculate thecovenant quality score for the issues and classify them into four levels of protection: very high protection, moderate, low and very low. Recent legislative changes will go some way towards improving investor protection and confidence, but the effect is yet to be seen. This proposed scoring framework can be used by potential investors to complement the traditional credit ratings when making their investment decisions.

  1. Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces

    DEFF Research Database (Denmark)

    Schiros, T.; Ogasawara, H.; Naslund, L. A.

    2010-01-01

    of the mixed phase at metal surfaces. The surface bonding can be considered to be similar to accepting a hydrogen bond, and we can thereby apply general cooperativity rules developed for hydrogen-bonded systems. This provides a simple understanding of why water molecules become more strongly bonded...... to the surface upon hydrogen bonding to OH and why the OH surface bonding is instead weakened through hydrogen bonding to water. We extend the application of this simple model to other observed cooperativity effects for pure water adsorption systems and H3O+ on metal surfaces.......We examine the balance of surface bonding and hydrogen bonding in the mixed OH + H2O overlayer on Pt(111), Cu(111), and Cu(110) via density functional theory calculations. We find that there is a cooperativity effect between surface bonding and hydrogen bonding that underlies the stability...

  2. Variation in the C/N-quotient of peat in relation to decomposition rate and age determination with 210Pb

    International Nuclear Information System (INIS)

    Malmer, N.; Holm, E.

    1984-01-01

    Peat profiles ca. 0.5 m in depth through bog hummocks with Sphagnum spp. have been studied on a subarctic mire in northern Sweden and on some bogs in southern Sweden. The C/N-quotient in the peat decreases with depth due to losses in C during the decay processes. As a result of decay and compaction, the annual peat volume increment at the bottom of the profiles is 4-15% of the increment in the upper parts. On the central bog areas in southern Sweden the decay processes during periods are interrupted at earlier stages which gives rise to a more rapid volumetric peat increment than in the marginal bog areas and in the north. Datings from 210 Pb activity have proved to be reliable only in the lower parts of the profiles (age>50 yr) as lead might be mobile in the upper parts. At the deposition in the catotelm layer after a period of at least 150 yr the organic matter has lost up to 80% of its original carbon. The accumulation of 210 Pb and N shows that the supply of these elements is higher in southern Sweden than in the north. (author)

  3. Natural high pCO2 increases autotrophy in Anemonia viridis (Anthozoa) as revealed from stable isotope (C, N) analysis.

    Science.gov (United States)

    Horwitz, Rael; Borell, Esther M; Yam, Ruth; Shemesh, Aldo; Fine, Maoz

    2015-03-05

    Contemporary cnidarian-algae symbioses are challenged by increasing CO2 concentrations (ocean warming and acidification) affecting organisms' biological performance. We examined the natural variability of carbon and nitrogen isotopes in the symbiotic sea anemone Anemonia viridis to investigate dietary shifts (autotrophy/heterotrophy) along a natural pCO2 gradient at the island of Vulcano, Italy. δ(13)C values for both algal symbionts (Symbiodinium) and host tissue of A. viridis became significantly lighter with increasing seawater pCO2. Together with a decrease in the difference between δ(13)C values of both fractions at the higher pCO2 sites, these results indicate there is a greater net autotrophic input to the A. viridis carbon budget under high pCO2 conditions. δ(15)N values and C/N ratios did not change in Symbiodinium and host tissue along the pCO2 gradient. Additional physiological parameters revealed anemone protein and Symbiodinium chlorophyll a remained unaltered among sites. Symbiodinium density was similar among sites yet their mitotic index increased in anemones under elevated pCO2. Overall, our findings show that A. viridis is characterized by a higher autotrophic/heterotrophic ratio as pCO2 increases. The unique trophic flexibility of this species may give it a competitive advantage and enable its potential acclimation and ecological success in the future under increased ocean acidification.

  4. Effect of TaC addition on the microstructures and mechanical properties of Ti(C, N)-based cermets

    International Nuclear Information System (INIS)

    Wu, Peng; Zheng, Yong; Zhao, Yongle; Yu, Haizhou

    2010-01-01

    The microstructures of the prepared Ti(C, N)-based cermets with various TaC additions were studied using X-ray diffractometry (XRD) and scanning electron microscopy (SEM). Mechanical properties such as transverse rupture strength (TRS), fracture toughness (K 1C ) and hardness (HRA) were also measured. The results showed that the grain size of the cermets decreased with increasing TaC addition, but too high TaC addition resulted in agglomeration of the grains. An increasing TaC addition increased the dissolution of tungsten, titanium, molybdenum and tantalum in the binder phase. The hardness of the cermets decreased slightly with increasing TaC addition. The transverse rupture strength was the highest for the cermets with 5 wt.% TaC addition, which was characterized by fine grains, homogeneous microstructure and the moderate thickness of rim phase in the binder. The fracture toughness of the cermets with TaC addition from 0 to 5 wt.% decreased obviously, which resulting from decreased grain size. The further decreasing of fracture toughness for the cermets with 7 wt.% TaC addition was due to increased porosity and interfacial tensile stress.

  5. Influence of C, N and Ti concentration on the intergranular corrosion resistance of AISI 316 Ti stainless steel

    International Nuclear Information System (INIS)

    Pardo, A.; Merino, M.C.; Carboneras, M.; Coy, A.E.; Viejo, F.; Arrabal, R.; Munoz, J.A.

    2004-01-01

    The influence of Ti, C, and N concentration on the intergranular corrosion resistance of AISI 316 Ti stainless steel has been studied. A kinetic study of the corrosion process has been carried out using gravimetric tests according to ASTM A-262 practices B and C (Streicher and Huey, respectively). The TTS diagrams were drawn as a function of alloying elements concentration (C, N and Ti). Materials characterization under several test conditions was carried out using Scanning Electron Microscopy (SEM) analysing microstructural characteristics and the attack microstructure. The chemical resistance of these steels to intergranular test was function of N, C and Ti concentration. High Ti and N concentration favoured the precipitation of TiN during the material manufacture process. N forms TiN very stable, causing the removal of Ti from the matrix and, indirectly, favouring the Cr 23 C 6 precipitation during the sensitization process and increasing the corrosion rate. In order to inhibit the intergranular corrosion in these materials the N and Ti concentrations must be optimised. (authors)

  6. Influence of C, N and Ti concentration on the intergranular corrosion resistance of AISI 316 Ti stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Pardo, A.; Merino, M.C.; Carboneras, M.; Coy, A.E.; Viejo, F.; Arrabal, R.; Munoz, J.A. [Departamento de Ciencia de Materiales, Facultad de Quimica, Universidad Complutense, 28040, Madrid (Spain)

    2004-07-01

    The influence of Ti, C, and N concentration on the intergranular corrosion resistance of AISI 316 Ti stainless steel has been studied. A kinetic study of the corrosion process has been carried out using gravimetric tests according to ASTM A-262 practices B and C (Streicher and Huey, respectively). The TTS diagrams were drawn as a function of alloying elements concentration (C, N and Ti). Materials characterization under several test conditions was carried out using Scanning Electron Microscopy (SEM) analysing microstructural characteristics and the attack microstructure. The chemical resistance of these steels to intergranular test was function of N, C and Ti concentration. High Ti and N concentration favoured the precipitation of TiN during the material manufacture process. N forms TiN very stable, causing the removal of Ti from the matrix and, indirectly, favouring the Cr{sub 23}C{sub 6} precipitation during the sensitization process and increasing the corrosion rate. In order to inhibit the intergranular corrosion in these materials the N and Ti concentrations must be optimised. (authors)

  7. Macroinvertebrate diet in intertidal seagrass and sandflat communities : a study using C, N, and S stable isotopes

    International Nuclear Information System (INIS)

    Leduc, D.; Probert, P.K.; Frew, R.D.; Hurd, C.L.

    2006-01-01

    Most seagrass community food-web studies using stable isotopes have been carried out in subtidal habitats during one sampling event. We used C, N, and S stable isotopes to characterise the diet of the dominant macroinvertebrates found in intertidal Zostera capricorni and sandflat communities of southern New Zealand in late summer and winter. The range of δ 13 C and δ 34 S values for Z. capricorni was wide (>5 permille), which highlights the importance of accounting for spatial and temporal variability in primary producer isotopic signatures. The range of δ 15 N values for Z. capricorni was comparatively small ( 13 C and δ 15 N signatures suggested that Z. capricorni was a potentially important contributor (24-99%) to the diet of most consumers sampled at the seagrass site, whereas microphytobenthos dominated the diet of the same consumers at the sandflat site. The main exception was the bivalve Austrovenus stutchburyi, which had a diet consisting mostly (up to 85%) of Ulva and Polysiphonia spp. at both sites. S isotopes proved to be of limited use owing to the difficulty of sampling microphytobenthos and to potential non-dietary sources of 34 S-depleted sulfur to consumers. Mixing models also suggested that Z. capricorni contributed more to the diet of deposit feeders in August (late winter) than in March (late summer). (author). 75 refs., 3 figs., 3 tabs

  8. Aluminium EN AW-2124 alloy matrix composites reinforced with Ti(C,N), BN and Al2O3 particles

    International Nuclear Information System (INIS)

    Dobrzanski, L.A.; Wlodarczyk, A.; Adamiak, M.

    2003-01-01

    Investigation results of the aluminium alloy EN AW-2124 matrix composite materials with particles of the powders Ti(C,N), BN and Al 2 O 3 (15 wt.%) are presented in the paper. In order to obtain uniform distribution of reinforcement particles in aluminium alloy matrix powders of composite components have been milled in the rotary ball-bearing pulverizer. The composites have been pressed in laboratory vertical press at room temperature under the pressure of 500 kN. Obtained die samplings have been heated to the temperature 520-550 o C and extruded. Bars of diameter 8 mm have been received as a final product. Metallographic examination of the composites materials' structure shows non-uniform distribution of reinforced powders in the aluminium alloy matrix banding of reinforcements particles corresponds to the extrusion direction. Particles of reinforcement distribution in aluminium alloy matrix is irregular, some agglomerations of powder of aluminium oxide and porosity of different size have been noticed. Investigations of hardness and ultimate compressive strength show that the particles of reinforcement improve mechanical properties of composite materials. Investigations of compressive strength, carried out at room temperature, enable to compare mechanical properties of matrix and composite. (author)

  9. Facile preparation of C, N co-modified Nb2O5 nanoneedles with enhanced visible light photocatalytic activity

    KAUST Repository

    Xue, Jiao

    2016-09-28

    C, N co-modified niobium pentoxide (Nb2O5) nanoneedles have been successfully synthesized via a facile hydrothermal method with Niobium Chloride (NbCl5) as a precursor and triethylamine as both the carbon and nitrogen source. The formation process of Nb2O5 nanoneedles has been presented in detail by investigating the effect of the crystallization temperature, the amount of triethylamine and the calcination temperature. The as-prepared Nb2O5 nanoneedles exhibit more efficient photocatalytic activity than commercial Degussa P25 and commercial Nb2O5 towards photodegradation of Rhodamine B (RhB) at a concentration of 10 mg L−1 under visible light. Special chemical species, such as carbonate species and NOX species, that exist on the surface of the as-prepared catalyst could extend the absorption into the visible region and thus enhance the photocatalytic activity of the Nb2O5 nanoneedles. At the same time, the obtained Nb2O5 nanoneedles exhibit excellent stability even after three successive cycles. A possible photodegradation mechanism was proposed and the corresponding photodecomposition process of RhB over the Nb2O5 nanoneedles was elucidated by a reactive species trapping experiment, suggesting that h+ and O2˙− play a major role in the photodegradation of RhB in aqueous solution.

  10. Thermodynamic investigations of the Mn-Ni-C-N quarternary alloys by solid-state galvanic cell technique

    International Nuclear Information System (INIS)

    Teng Lidong; Aune, Ragnhild; Seetharaman, Seshadri

    2005-01-01

    In view of the important applications of carbides and nitrides of transition metals in the hard materials industries, the thermodynamic activities of manganese in Mn-Ni-C-N alloys have been studied by solid-state galvanic cell technique with CaF 2 as the solid electrolyte. The phase compositions and microstructure of various alloys have been analyzed by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Nitrogen was introduced into the alloy by equilibrating with N 2 gas. It was established during the experiments that the solubility of nitrogen in the alloys was affected by the carbon content. A (Mn,Ni) 4 (N,C) nitride was formed during the nitriding procedure in the alloys. The electromotive force (EMF) measurements were carried out in the temperature range 940-1127 K in order to determine the activities of Mn in the alloys. The activities of manganese were calculated and compared with those of the corresponding Mn-Ni-C ternary alloys

  11. The adhesive bonding of beryllium structural components

    International Nuclear Information System (INIS)

    Fullerton-Batten, R.C.

    1977-01-01

    Where service conditions permit, adhesive bonding is a highly recommendable, reliable means of joining beryllium structural parts. Several important programs have successfully used adhesive bonding for joining structural and non-structural beryllium components. Adhesive bonding minimizes stress concentrations associated with other joining techniques and considerably improves fatigue resistance. In addition, no degradation of base metal properties occur. In many instances, structural joints can be fabricated more cheaply by adhesive bonding or in combination with adhesive bonding than by any other method used alone. An evaluation program on structural adhesive bonding of beryllium sheet components is described. A suitable surface pretreatment for beryllium adherends prior to bonding is given. Tensile shear strength and fatigue properties of FM 1000 and FM 123-5 adhesive bonded joints are reviewed and compared with data obtained from riveted joints of similar geometry. (author)

  12. Manufacturing study of beryllium bonded structures

    International Nuclear Information System (INIS)

    Onozuka, M.; Hirai, S.; Kikuchi, K.; Oda, Y.; Shimizu, K.

    2004-01-01

    Manufacturing study has been conducted on Be-bonded structures employed in the first-wall panel of the blanket system for the ITER. For Be tiles bonded to the Cu-Cr-Zr alloy heat sink with stainless-steel cooling pipes, a one-axis hot press with two heating process has been used to bond the three materials. First, Cu-alloy and SS materials are bonded diffusively. Then, Be tiles are bonded to the pre-bonded structure under 20 MPa and at 560 degree C. An Al-Si base interlayer has been used to bond Be to the Cu-Alloy. Because of the limited heat processes using a conventional hot press, the manufacturing cost can be minimized. Using the above bonding techniques, a partial mockup of a blanket first-wall panel with 16 Be tiles (with 50 mm in size) has been successfully manufactured. (author)

  13. Effects of C/N ratio on nitrous oxide production from nitrification in a laboratory-scale biological aerated filter reactor.

    Science.gov (United States)

    He, Qiang; Zhu, Yinying; Fan, Leilei; Ai, Hainan; Huangfu, Xiaoliu; Chen, Mei

    2017-03-01

    Emission of nitrous oxide (N 2 O) during biological wastewater treatment is of growing concern. This paper reports findings of the effects of carbon/nitrogen (C/N) ratio on N 2 O production rates in a laboratory-scale biological aerated filter (BAF) reactor, focusing on the biofilm during nitrification. Polymerase chain reaction-denaturing gradient gel electrophoresis (PCR-DGGE) and microelectrode technology were utilized to evaluate the mechanisms associated with N 2 O production during wastewater treatment using BAF. Results indicated that the ability of N 2 O emission in biofilm at C/N ratio of 2 was much stronger than at C/N ratios of 5 and 8. PCR-DGGE analysis showed that the microbial community structures differed completely after the acclimatization at tested C/N ratios (i.e., 2, 5, and 8). Measurements of critical parameters including dissolved oxygen, oxidation reduction potential, NH 4 + -N, NO 3 - -N, and NO 2 - -N also demonstrated that the internal micro-environment of the biofilm benefit N 2 O production. DNA analysis showed that Proteobacteria comprised the majority of the bacteria, which might mainly result in N 2 O emission. Based on these results, C/N ratio is one of the parameters that play an important role in the N 2 O emission from the BAF reactors during nitrification.

  14. Determination of the enthalpy of vaporization and prediction of surface tension for ionic liquid 1-alkyl-3-methylimidazolium propionate [C(n)mim][Pro](n = 4, 5, 6).

    Science.gov (United States)

    Tong, Jing; Yang, Hong-Xu; Liu, Ru-Jing; Li, Chi; Xia, Li-Xin; Yang, Jia-Zhen

    2014-11-13

    With the use of isothermogravimetrical analysis, the enthalpies of vaporization, Δ(g)lH(o)m(T(av)), at the average temperature, T(av) = 445.65 K, for the ionic liquids (ILs) 1-alkyl-3-methylimidazolium propionate [C(n)mim][Pro](n = 4, 5, 6) were determined. Using Verevkin's method, the difference of heat capacities between the vapor phase and the liquid phase, Δ(g)lC(p)(o)m, for [C(n)mim][Pro](n = 2, 3, 4, 5, 6), were calculated based on the statistical thermodynamics. Therefore, with the use of Δ(g)lC(p)(o)m, the values of Δ(g)lH(o)m(T(av)) were transformed into Δ(g)lH(o)m(298), 126.8, 130.3, and 136.5 for [C(n)mim][Pro](n = 4, 5, 6), respectively. In terms of the new scale of polarity for ILs, the order of the polarity of [C(n)mim][Pro](n = 2, 3, 4, 5, 6) was predicted, that is, the polarity decreases with increasing methylene. A new model of the relationship between the surface tension and the enthalpy of vaporization for aprotic ILs was put forward and used to predict the surface tension for [C(n)mim][Pro](n = 2, 3, 4, 5, 6) and others. The predicted surface tension for the ILs is in good agreement with the experimental one.

  15. Weld bonding of stainless steel

    DEFF Research Database (Denmark)

    Santos, I. O.; Zhang, Wenqi; Goncalves, V.M.

    2004-01-01

    . The overall assessment of the weld bonding process is made using several commercial adhesives with varying working times under different surface conditions. The quality of the resulting joints is evaluated by means of macroetching observations, tension-shear tests and peel tests. The theoretical investigation......This paper presents a comprehensive theoretical and experimental investigation of the weld bonding process with the purpose of evaluating its relative performance in case of joining stainless steel parts, against alternative solutions based on structural adhesives or conventional spot-welding...... of the process consists of numerical predictions based on the commercial finite element program SORPAS with the purpose of establishing the most favourable parameters that allow spot-welding through the adhesives....

  16. Structure and bonding in clusters

    International Nuclear Information System (INIS)

    Kumar, V.

    1991-10-01

    We review here the recent progress made in the understanding of the electronic and atomic structure of small clusters of s-p bonded materials using the density functional molecular dynamics technique within the local density approximation. Starting with a brief description of the method, results are presented for alkali metal clusters, clusters of divalent metals such as Mg and Be which show a transition from van der Waals or weak chemical bonding to metallic behaviour as the cluster size grows and clusters of Al, Sn and Sb. In the case of semiconductors, we discuss results for Si, Ge and GaAs clusters. Clusters of other materials such as P, C, S, and Se are also briefly discussed. From these and other available results we suggest the possibility of unique structures for the magic clusters. (author). 69 refs, 7 figs, 1 tab

  17. Bond graph modeling of centrifugal compression systems

    OpenAIRE

    Uddin, Nur; Gravdahl, Jan Tommy

    2015-01-01

    A novel approach to model unsteady fluid dynamics in a compressor network by using a bond graph is presented. The model is intended in particular for compressor control system development. First, we develop a bond graph model of a single compression system. Bond graph modeling offers a different perspective to previous work by modeling the compression system based on energy flow instead of fluid dynamics. Analyzing the bond graph model explains the energy flow during compressor surge. Two pri...

  18. About counterintuitive orbital mixing and bond populations

    International Nuclear Information System (INIS)

    Jorge, F.E.; Giambiagi, M.; Giambiagi, M.S. de

    1983-01-01

    It is shown that negative bond and orbital populations may be avoided by the introduction of a weight factor in a bond index definition, together with a suitable parameterization. The negative bond populations found for first-row metal complexes need not be ascribed to counterintuitive orbital mixing but rather, essentially, to the equipartition of the charge distribution. Different definitions of the bond population are compared for ferrocene and the effects of some parameterizations are discussed. (Author) [pt

  19. Formation of hydroxyl radicals and kinetic study of 2-chlorophenol photocatalytic oxidation using C-doped TiO2, N-doped TiO2, and C,N Co-doped TiO2 under visible light.

    Science.gov (United States)

    Ananpattarachai, Jirapat; Seraphin, Supapan; Kajitvichyanukul, Puangrat

    2016-02-01

    This work reports on synthesis, characterization, adsorption ability, formation rate of hydroxyl radicals (OH(•)), photocatalytic oxidation kinetics, and mineralization ability of C-doped titanium dioxide (TiO2), N-doped TiO2, and C,N co-doped TiO2 prepared by the sol-gel method. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and UV-visible spectroscopy were used to analyze the titania. The rate of formation of OH(•) for each type of titania was determined, and the OH-index was calculated. The kinetics of as-synthesized TiO2 catalysts in photocatalytic oxidation of 2-chlorophenol (2-CP) under visible light irradiation were evaluated. Results revealed that nitrogen was incorporated into the lattice of titania with the structure of O-Ti-N linkages in N-doped TiO2 and C,N co-doped TiO2. Carbon was joined to the Ti-O-C bond in the C-doped TiO2 and C,N co-doped TiO2. The 2-CP adsorption ability of C,N co-doped TiO2 and C-doped TiO2 originated from a layer composed of a complex carbonaceous mixture at the surface of TiO2. C,N co-doped TiO2 had highest formation rate of OH(•) and photocatalytic activity due to a synergistic effect of carbon and nitrogen co-doping. The order of photocatalytic activity per unit surface area was the same as that of the formation rate of OH(•) unit surface area in the following order: C,N co-doped TiO2 > C-doped TiO2 > N-doped TiO2 > undoped TiO2.

  20. A Cat Bond Premium Puzzle?

    OpenAIRE

    Vivek J. Bantwal; Howard C. Kunreuther

    1999-01-01

    Catastrophe Bonds whose payoffs are tied to the occurrence of natural disasters offer insurers the ability to hedge event risk through the capital markets that could otherwise leave them insolvent if concentrated solely on their own balance sheets. At the same time, they offer investors a unique opportunity to enhance their portfolios with an asset that provides an attractive return that is uncorrelated with typical financial securities Despite its attractiveness, spreads in this market remai...

  1. Effects of carbohydrate source for maintaining a high C:N ratio and fish driven re-suspension on pond ecology and production in periphyton-based freshwater prawn culture systems

    NARCIS (Netherlands)

    Asaduzzaman, M.; Wahab, M.A.; Verdegem, M.C.J.; Adhikary, R.K.; Rahman, S.M.S.; Azim, M.E.; Verreth, J.A.J.

    2010-01-01

    The present research investigated the effect of carbohydrate (CH) source for maintaining a high C:N ratio, and tilapia driven bioturbation on pond ecology, production and economical performances in C/N controlled periphyton-based (C/N-CP) freshwater prawn ponds. Two carbohydrate sources (high-cost

  2. Simple inorganic complexes but intricate hydrogen bonding ...

    Indian Academy of Sciences (India)

    Administrator

    We are interested in obtaining single crystals of metal-opda complexes because their crystal structures would show complex hydrogen bonding network due to the presence of. –NH2 groups in the opda ligand (hydrogen bonding donor sites) and inorganic anions having mostly oxo groups (hydrogen bonding acceptor sites) ...

  3. 75 FR 39730 - Tribal Economic Development Bonds

    Science.gov (United States)

    2010-07-12

    ... DEPARTMENT OF THE TREASURY Tribal Economic Development Bonds AGENCY: Department of the Treasury... (``Treasury'') seeks comments from Indian Tribal Governments regarding the Tribal Economic Development Bond... governments, known as ``Tribal Economic Development Bonds,'' under Section 7871(f) of the Internal Revenue...

  4. 30 CFR 800.21 - Collateral bonds.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 3 2010-07-01 2010-07-01 false Collateral bonds. 800.21 Section 800.21 Mineral... FOR SURFACE COAL MINING AND RECLAMATION OPERATIONS UNDER REGULATORY PROGRAMS § 800.21 Collateral bonds. (a) Collateral bonds, except for letters of credit, cash accounts, and real property, shall be...

  5. Are Stock and Corporate Bond Markets Integrated?

    NARCIS (Netherlands)

    van Zundert, J.; Driessen, Joost

    2017-01-01

    This study explores the cross-sectional integration of stock and corporate bond markets by comparing a firm’s expected stock return, as implied by corporate bond spreads, to its realized stock return. We compute expected corporate bond returns by correcting credit spreads for expected losses due to

  6. 36 CFR 9.48 - Performance bond.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Performance bond. 9.48... MINERALS MANAGEMENT Non-Federal Oil and Gas Rights § 9.48 Performance bond. (a) Prior to approval of a plan of operations, the operator shall be required to file a suitable performance bond with satisfactory...

  7. Environmentally dependent bond-order potentials: New ...

    Indian Academy of Sciences (India)

    Environmentally dependent bond-order potentials: New developments and applications ... for modelling amorphous structure we found that the and bond integrals are not only transferable between graphite and diamond structures but they are also strongly anisotropic due to inter-plan bonding between graphite sheets.

  8. Low temperature anodic bonding to silicon nitride

    DEFF Research Database (Denmark)

    Weichel, Steen; Reus, Roger De; Bouaidat, Salim

    2000-01-01

    Low-temperature anodic bonding to stoichiometric silicon nitride surfaces has been performed in the temperature range from 3508C to 4008C. It is shown that the bonding is improved considerably if the nitride surfaces are either oxidized or exposed to an oxygen plasma prior to the bonding. Both bu...

  9. Liquidity risk premia in corporate bond markets

    NARCIS (Netherlands)

    Driessen, J.J.A.G.; de Jong, F.C.J.M.

    2012-01-01

    This paper explores the role of liquidity risk in the pricing of corporate bonds. We show that corporate bond returns have significant exposures to fluctuations in treasury bond liquidity and equity market liquidity. Further, this liquidity risk is a priced factor for the expected returns on

  10. 25 CFR 216.8 - Performance bond.

    Science.gov (United States)

    2010-04-01

    ... 25 Indians 1 2010-04-01 2010-04-01 false Performance bond. 216.8 Section 216.8 Indians BUREAU OF... RECLAMATION OF LANDS General Provisions § 216.8 Performance bond. (a) Upon approval of an exploration plan or mining plan, the operator shall be required to file a suitable performance bond of not less than $2,000...

  11. 43 CFR 23.9 - Performance bond.

    Science.gov (United States)

    2010-10-01

    ... 43 Public Lands: Interior 1 2010-10-01 2010-10-01 false Performance bond. 23.9 Section 23.9 Public... LANDS § 23.9 Performance bond. (a)(1) Upon approval of an exploration plan or mining plan, the operator shall be required to file a suitable performance bond of not less than $2,000 with satisfactory surety...

  12. 36 CFR 223.35 - Performance bond.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Performance bond. 223.35 Section 223.35 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE SALE AND... Performance bond. Timber sale contracts may require the purchaser to furnish a performance bond for...

  13. 36 CFR 9.13 - Performance bond.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Performance bond. 9.13... MINERALS MANAGEMENT Mining and Mining Claims § 9.13 Performance bond. (a) Upon approval of a plan of operations the operator shall be required to file a suitable performance bond with satisfactory surety...

  14. 27 CFR 24.146 - Bonds.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Bonds. 24.146 Section 24.146 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE.... (c) Wine vinegar plant bond. The proprietor of a wine vinegar plant who withdraws wine from a bonded...

  15. Recent Advances in Adhesive Bonding - The Role of Biomolecules, Nanocompounds, and Bonding Strategies in Enhancing Resin Bonding to Dental Substrates.

    Science.gov (United States)

    Münchow, Eliseu A; Bottino, Marco C

    2017-09-01

    To present an overview on the main agents (i.e., biomolecules and nanocompounds) and/or strategies currently available to amplify or stabilize resin-dentin bonding. According to studies retrieved for full text reading (2014-2017), there are currently six major strategies available to overcome resin-dentin bond degradation: (i) use of collagen crosslinking agents, which may form stable covalent bonds with collagen fibrils, thus strengthening the hybrid layer; (ii) use of antioxidants, which may allow further polymerization reactions over time; (iii) use of protease inhibitors, which may inhibit or inactivate metalloproteinases; (iv) modification of the bonding procedure, which may be performed by using the ethanol wet-bonding technique or by applying an additional adhesive (hydrophobic) coating, thereby strengthening the hybrid layer; (v) laser treatment of the substrate prior to bonding, which may cause specific topographic changes in the surface of dental substrates, increasing bonding efficacy; and (vi) reinforcement of the resin matrix with inorganic fillers and/or remineralizing agents, which may positively enhance physico-mechanical properties of the hybrid layer. With the present review, we contributed to the better understanding of adhesion concepts and mechanisms of resin-dentin bond degradation, showing the current prospects available to solve that problematic. Also, adhesively-bonded restorations may be benefited by the use of some biomolecules, nanocompounds or alternative bonding strategies in order to minimize bond strength degradation.

  16. Influence of intermolecular amide hydrogen bonding on the geometry, atomic charges, and spectral modes of acetanilide: An ab initio study

    Science.gov (United States)

    Binoy, J.; Prathima, N. B.; Murali Krishna, C.; Santhosh, C.; Hubert Joe, I.; Jayakumar, V. S.

    2006-08-01

    Acetanilide, a compound of pharmaceutical importance possessing pain-relieving properties due to its blocking the pulse dissipating along the nerve fiber, is subjected to vibrational spectral investigation using NIR FT Raman, FT-IR, and SERS. The geometry, Mulliken charges, and vibrational spectrum of acetanilide have been computed using the Hartree-Fock theory and density functional theory employing the 6-31G (d) basis set. To investigate the influence of intermolecular amide hydrogen bonding, the geometry, charge distribution, and vibrational spectrum of the acetanilide dimer have been computed at the HF/6-31G (d) level. The computed geometries reveal that the acetanilide molecule is planar, while twisting of the secondary amide group with respect to the phenyl ring is found upon hydrogen bonding. The trans isomerism and “amido” form of the secondary amide, hyperconjugation of the C=O group with the adjacent C-C bond, and donor-acceptor interaction have been investigated using computed geometry. The carbonyl stretching band position is found to be influenced by the tendency of the phenyl ring to withdraw nitrogen lone pair, intermolecular hydrogen bonding, conjugation, and hyperconjugation. A decrease in the NH and C=O bond orders and increase in the C-N bond orders due to donor-acceptor interaction can be observed in the vibrational spectra. The SERS spectral analysis reveals that the flat orientation of the molecule on the adsorption plane is preferred.

  17. Enantioselective functionalization of allylic C-H bonds following a strategy of functionalization and diversification.

    Science.gov (United States)

    Sharma, Ankit; Hartwig, John F

    2013-11-27

    We report the enantioselective functionalization of allylic C-H bonds in terminal alkenes by a strategy involving the installation of a temporary functional group at the terminal carbon atom by C-H bond functionalization, followed by the catalytic diversification of this intermediate with a broad scope of reagents. The method consists of a one-pot sequence of palladium-catalyzed allylic C-H bond oxidation under neutral conditions to form linear allyl benzoates, followed by iridium-catalyzed allylic substitution. This overall transformation forms a variety of chiral products containing a new C-N, C-O, C-S, or C-C bond at the allylic position in good yield with a high branched-to-linear selectivity and excellent enantioselectivity (ee ≤97%). The broad scope of the overall process results from separating the oxidation and functionalization steps; by doing so, the scope of nucleophile encompasses those sensitive to direct oxidative functionalization. The high enantioselectivity of the overall process is achieved by developing an allylic oxidation that occurs without acid to form the linear isomer with high selectivity. These allylic functionalization processes are amenable to an iterative sequence leading to (1,n)-functionalized products with catalyst-controlled diastereo- and enantioselectivity. The utility of the method in the synthesis of biologically active molecules has been demonstrated.

  18. Strength of Al and Al-Mg/alumina bonds prepared using ultrahigh vacuum diffusion bonding

    International Nuclear Information System (INIS)

    King, W.E.; Campbell, G.H.; Wien, W.L.; Stoner, S.L.

    1994-01-01

    The authors have measured the cross-breaking strength of Al and Al-Mg alloys bonded with alumina. Diffusion bonding of Al and Al-Mg alloys requires significantly more bonding time than previously thought to obtain complete bonding. In contrast to previous diffusion bonding studies, fracture morphologies are similar to those obtained in bonds formed by liquid phase reaction; i.e., bonds are as strong or stronger than the ceramic; and fracture tends to propagate in the metal for pure Al and near the interface in the ceramic for the alloys. There are indications that the fracture morphology depends on Mg content and therefore on plasticity in the metal

  19. Effect of ethanol-wet-bonding technique on resin–enamel bonds

    Directory of Open Access Journals (Sweden)

    Muhammet Kerim Ayar

    2014-03-01

    Conclusion: The ethanol-wet-bonding technique may increase the bond strength of commercial adhesives to enamel. The chemical composition of the adhesives can affect the bond strength of adhesives when bonding to acid-etched enamel, using the ethanol-wet-bonding technique. Some adhesive systems used in the present study may simultaneously be applied to enamel and dentin using ethanol-wet-bonding. Furthermore, deploying ethanol-wet-bonding for the tested commercial adhesives to enamel can increase the adhesion abilities of these adhesives to enamel.

  20. Formation of halogenated C-, N-DBPs from chlor(am)ination and UV irradiation of tyrosine in drinking water

    International Nuclear Information System (INIS)

    Chu Wenhai; Gao Naiyun; Krasner, Stuart W.; Templeton, Michael R.; Yin Daqiang

    2012-01-01

    The formation of regulated and emerging halogenated carbonaceous (C-) and nitrogenous disinfection by-products (N-DBPs) from the chlor(am)ination and UV irradiation of tyrosine (Tyr) was investigated. Increased chlorine contact time and/or Cl 2 /Tyr ratio increased the formation of most C-DBPs, with the exception of 4-chlorophenol, dichloroacetonitrile, and dichloroacetamideChloroform and dichloroacetic acid increased with increasing pH, dichloroacetonitrile first increased and then decreased, and other DBPs had maximum yields at pH 7 or 8. The addition of ammonia significantly reduced the formation of most C-DBPs but increased 4-chlorophenol, dichloroacetonitrile, dichloroacetamide, and trichloroacetonitrile yields for short prechlorination contact times before dosing ammonia. When UV irradiation and chlorination were performed simultaneously, the concentrations of the relatively stable C-DBPs increased, and the concentrations of dichloroacetonitrile, dichloroacetamide, and 4-chlorophenol decreased with increasing UV dose. This information was used to develop a mechanistic model for the formation of intermediate DBPs and end products from the interaction of disinfectants with tyrosine. Highlights: ► Increased contact time and/or Cl 2 /Tyr decreased the formation of some N-DBPs. ► Changing the pH of disinfection decreases the formation of some N-DBPs. ► N-DBP yields increased for short prechlorination contact time before dosing ammonia. ► Low pressure UV before chlorination did not impact the formation of DBPs from Tyr. ► A novel integrated formation pathway of halogenated C-, N-DBPs is proposed. - Exploring the integrated formation mechanism of regulated and emerging highly toxic DBPs, which is expected to preferably reduce their occurrence in drinking water.

  1. A generic individual-based model to simulate morphogenesis, C-N acquisition and population dynamics in contrasting forage legumes.

    Science.gov (United States)

    Louarn, Gaëtan; Faverjon, Lucas

    2018-04-18

    Individual-based models (IBMs) are promising tools to disentangle plant interactions in multi-species grasslands and foster innovative species mixtures. This study describes an IBM dealing with the morphogenesis, growth and C-N acquisition of forage legumes that integrates plastic responses from functional-structural plant models. A generic model was developed to account for herbaceous legume species with contrasting above- and below-ground morphogenetic syndromes and to integrate the responses of plants to light, water and N. Through coupling with a radiative transfer model and a three-dimensional virtual soil, the model allows dynamic resolution of competition for multiple resources at individual plant level within a plant community. The behaviour of the model was assessed on a range of monospecific stands grown along gradients of light, water and N availability. The model proved able to capture the diversity of morphologies encountered among the forage legumes. The main density-dependent features known about even-age plant populations were correctly anticipated. The model predicted (1) the 'reciprocal yield' law relating average plant mass to density, (2) a self-thinning pattern close to that measured for herbaceous species and (3) consistent changes in the size structure of plant populations with time and pedo-climatic conditions. In addition, plastic changes in the partitioning of dry matter, the N acquisition mode and in the architecture of shoots and roots emerged from the integration of plant responses to their local environment. This resulted in taller plants and thinner roots when competition was dominated by light, and shorter plants with relatively more developed root systems when competition was dominated by soil resources. A population dynamic model considering growth and morphogenesis responses to multiple resources heterogeneously distributed in the environment was presented. It should allow scaling plant-plant interactions from individual to

  2. Visible light-responded C, N and S co-doped anatase TiO{sub 2} for photocatalytic reduction of Cr(VI)

    Energy Technology Data Exchange (ETDEWEB)

    Lei, X.F., E-mail: leixuefei69@163.com [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao 066004 (China); Institute of Metallurgical Resource and Environmental Engineering, Northeastern University, Shenyang 110819 (China); Liaoning Key Laboratory of Metallurgical Resource Recycling Science, Shenyang 110819 (China); Liaoning Engineering and Technology Research Center of Boron Resource, Comprehensive, Utilization, Shenyang 110819 (China); Liaoning Provincial Universities Key Laboratory of Boron Resource Ecological, Utilization, Technology and Boron Materials, Shenyang 110819 (China); Xue, X.X.; Yang, H. [Institute of Metallurgical Resource and Environmental Engineering, Northeastern University, Shenyang 110819 (China); Liaoning Key Laboratory of Metallurgical Resource Recycling Science, Shenyang 110819 (China); Liaoning Engineering and Technology Research Center of Boron Resource, Comprehensive, Utilization, Shenyang 110819 (China); Liaoning Provincial Universities Key Laboratory of Boron Resource Ecological, Utilization, Technology and Boron Materials, Shenyang 110819 (China); Chen, C.; Li, X.; Pei, J.X.; Niu, M.C.; Yang, Y.T.; Gao, X.Y. [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao 066004 (China)

    2015-10-15

    The (C, N and S) co-doped TiO{sub 2} (TH-TiO{sub 2}) samples were synthesized by a sol-gel method calcined at 500 °C, employing butyl titanate as the titanium source and thiourea as the dopant. The structures of TH-TiO{sub 2} samples were characterized by X-ray diffraction (XRD), Transmission electron microscope (TEM), X-ray photoelectron spectroscopy (XPS), UV–vis diffuse reflectance spectra (DRS), photoluminescence (PL) spectroscopy, Thermo gravimetry and differential thermal analysis (TG-DTA), Scanning electron microscopy (SEM) and nitrogen adsorption–desorption isotherms. The photocatalytic activities were checked through the photocatalytic reduction of Cr(VI) as a model compound under visible light irradiation. The results showed that the thiourea content played an important role on the microstructure and photocatalytic activity of the samples. According to XPS results, (C, N and S) atoms were successfully co-doped into the nanostructures of TH-TiO{sub 2} samples. TH-TiO{sub 2} samples with thiourea: Ti molar ratio of 1.5 exhibits higher photocatalytic activity than that of the other samples under visible light irradiation, which can be attributed to the synergic effect of the pure anatase structure, the higher light absorption characteristics in visible regions, separation efficiency of electron–hole pairs, the specific surface area and the optimum (C, N and S) content. - Graphical abstract: (C, N and S) co-doped TiO{sub 2} samples show good photocatalytic activity for Cr (VI) reduction under visible light irradiation. - Highlights: • (C, N and S) co-doping in TH-TiO{sub 2} samples can promote the formation of the pure anatase structure. • (C, N and S) atoms were successfully co-doped into the nanostructures of TH-TiO{sub 2} samples. • The band gap energy of TH-TiO{sub 2} samples reduced after (C, N and S) co-doping. • (C, N and S) co-doped TiO{sub 2} samples were effective for the photocatalytic reduction of Cr(VI) under visible light

  3. Dynamic breaking of a single gold bond

    DEFF Research Database (Denmark)

    Pobelov, Ilya V.; Lauritzen, Kasper Primdal; Yoshida, Koji

    2017-01-01

    While one might assume that the force to break a chemical bond gives a measure of the bond strength, this intuition is misleading. If the force is loaded slowly, thermal fluctuations may break the bond before it is maximally stretched, and the breaking force will be less than the bond can sustain...... of a single Au-Au bond and show that the breaking force is dependent on the loading rate. We probe the temperature and structural dependencies of breaking and suggest that the paradox can be explained by fast breaking of atomic wires and slow breaking of point contacts giving very similar breaking forces....

  4. Hexacoordinate bonding and aromaticity in silicon phthalocyanine.

    Science.gov (United States)

    Yang, Yang

    2010-12-23

    Si-E bondings in hexacoordinate silicon phthalocyanine were analyzed using bond order (BO), energy partition, atoms in molecules (AIM), electron localization function (ELF), and localized orbital locator (LOL). Bond models were proposed to explain differences between hexacoordinate and tetracoordinate Si-E bondings. Aromaticity of silicon phthalocyanine was investigated using nucleus-independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), conceptual density functional theory (DFT), ring critical point (RCP) descriptors, and delocalization index (DI). Structure, energy, bonding, and aromaticity of tetracoordinate silicon phthalocyanine were studied and compared with hexacoordinate one.

  5. Valuing Convertible Bonds Based on LSRQM Method

    Directory of Open Access Journals (Sweden)

    Jian Liu

    2014-01-01

    Full Text Available Convertible bonds are one of the essential financial products for corporate finance, while the pricing theory is the key problem to the theoretical research of convertible bonds. This paper demonstrates how to price convertible bonds with call and put provisions using Least-Squares Randomized Quasi-Monte Carlo (LSRQM method. We consider the financial market with stochastic interest rates and credit risk and present a detailed description on calculating steps of convertible bonds value. The empirical results show that the model fits well the market prices of convertible bonds in China’s market and the LSRQM method is effective.

  6. B-H Bond Activation by an Amidinate-Stabilized Amidosilylene: Non-Innocent Amidinate Ligand.

    Science.gov (United States)

    Khoo, Sabrina; Shan, Yu-Liang; Yang, Ming-Chung; Li, Yongxin; Su, Ming-Der; So, Cheuk-Wai

    2018-05-21

    The activation of B-H and B-Cl bonds in boranes by base-stabilized low-valent silicon compounds is described. The reaction of the amidinato amidosilylene-borane adduct [L{Ar(Me 3 Si)N}SiBH 3 ] [1; L = PhC(N tBu) 2 , and Ar = 2,6- iPr 2 C 6 H 3 ] with MeOTf in toluene at room temperature formed [L{Ar(Me 3 Si)N}SiBH 2 OTf] (2). [LSiN(SiMe 3 )Ar] in compound 2 then underwent a B-H bond activation with BH 2 OTf in refluxing toluene to afford the B-H bond activation product [LB(H)Si(H)(OTf){N(SiMe 3 )Ar}] (3). On the other hand, when compound 2 was reacted with 4-dimethylaminopyridine in refluxing toluene, another B-H bond activation product [(μ-κ1:κ1-L)B(H)(DMAP)Si(H){N(Ar)SiMe 3 }]OTf (4) was afforded. Mechanistic studies show that "(μ-κ1:κ1-L)B(H)(OTf)Si(H){N(Ar)SiMe 3 }" (2A) is the key intermediate in the reactions mentioned above. The formation of 2A is further evidenced by the activation of the B-Cl bond in PhBCl 2 by the amidinato silicon(I) dimer [LSi:] 2 to form the B-Cl bond activation product [(μ-κ1:κ1-L)B(Cl)(Ph)Si(Cl)] 2 (6). Compounds 2-4 and 6 were characterized by nuclear magnetic resonance spectroscopy and X-ray crystallography.

  7. Liquidity in Government versus Covered Bond Markets

    DEFF Research Database (Denmark)

    Dick-Nielsen, Jens; Gyntelberg, Jacob; Sangill, Thomas

    We present findings on the secondary market liquidity of government and covered bonds in Denmark before, during and after the 2008 financial crisis. The analysis focuses on wholesale trading in the two markets and is based on a complete transaction level dataset covering November 2007 until end...... 2011. Overall, our findings suggest that Danish benchmark covered bonds by and large are as liquid as Danish government bonds - including in periods of market stress. Before the financial crisis of 2008, government bonds were slightly more liquid than covered bonds. During the crisis, trading continued...... in both markets but the government bond market experienced a brief but pronounced decline in market liquidity while liquidity in the covered bond market was more robust - partly reflective of a number of events as well as policy measures introduced in the autumn of 2008. After the crisis, liquidity...

  8. Actor bonds after relationship dissolution

    DEFF Research Database (Denmark)

    Skaates, Maria Anne

    2000-01-01

    Most of the presented papers at the 1st NoRD Workshop can be classified as belonging to the business marketing approach to relationship dissolution. Two papers were conceptual, and the remaining six were empirical studies. The first conceptual study by Skaates (2000) focuses on the nature...... of the actor bonds that remain after a business relationship has ended. The study suggests that an interdisciplinary approach would provide a richer understanding of the phenomenon; this could be achieved by using e.g. Bourdieu's sociological concepts in dissolution research....

  9. Effect of Mo on Microstructures and Wear Properties of In Situ Synthesized Ti(C,N)/Ni-Based Composite Coatings by Laser Cladding.

    Science.gov (United States)

    Wu, Fan; Chen, Tao; Wang, Haojun; Liu, Defu

    2017-09-06

    Using Ni60 alloy, C, TiN and Mo mixed powders as the precursor materials, in situ synthesized Ti(C,N) particles reinforcing Ni-based composite coatings are produced on Ti6Al4V alloys by laser cladding. Phase constituents, microstructures and wear properties of the composite coatings with 0 wt % Mo, 4 wt % Mo and 8 wt % Mo additions are studied comparatively. Results indicate that Ti(C,N) is formed by the in situ metallurgical reaction, the (Ti,Mo)(C,N) rim phase surrounding the Ti(C,N) ceramic particle is synthesized with the addition of Mo, and the increase of Mo content is beneficial to improve the wear properties of the cladding coatings. Because of the effect of Mo, the grains are remarkably refined and a unique core-rim structure that is uniformly dispersed in the matrix appears; meanwhile, the composite coatings with Mo addition exhibit high hardness and excellent wear resistance due to the comprehensive action of dispersion strengthening, fine grain strengthening and solid solution strengthening.

  10. Organic carbon source and C/N ratio affect inorganic nitrogen profile in the biofloc-based culture media of Pacific white shrimp (Litopenaeus vannamei

    Directory of Open Access Journals (Sweden)

    Muhammad Hanif Azhar

    2016-03-01

    Full Text Available Organic carbon source and C/N ratio play an important role in aquaculture system with biofloc technology application. Nitrogen control by adding carbohydrates to the water to stimulate heterotrophic bacterial growth by converting nitrogen into bacterial biomass. The study investigated the effect molasses, tapioca, tapioca by product and rice bran as carbon sources in a biofloc media at three different C/N ratios i.e. 10, 15, and 20 on total ammonia reduction in biofloc media. Five liters of biofloc media in a conical tank was prepared for each replicate, which consisted of 500 mL of biofloc suspension collected from a shrimp culture unit with biofloc technology application and 4.5 L seawater. Pacific white shrimp culture was performed in 40L glass aquaria at a shrimp density of 30/aquarium. There was a significant interaction between carbon source and the C/N ratio applied (P<0.05. The use of molasses resulted in the highest reduction rate irrespective to the C/N ratio. Keywords: molasses, tapioca, tapioca by product, rice bran, biofloc, total ammonia nitrogen

  11. Study of C/N Ratio Effect on Biogas Production of Carica Solid Waste by SS-AD Method And LS-AD

    Directory of Open Access Journals (Sweden)

    Jos Bakti

    2018-01-01

    Full Text Available Biogas is a renewable energy which can be used as an alternative source to replace fossil fuels. Recently, the use of energy has become an important issue because the oil sources and natural gas are depleting. Utilization of carica waste to produce biogas can reduce the consumption of commercial energy sources such as kerosene as well as the use of firewood. Biogas is produced by the process of organic material digestion by certain anaerobic bacterial activity in anaerobic digester. In this study we studied the influence of LS-AD and SS-AD methods, the effect of C / N ratio on biogas yield obtained and kinetics of biogas production reaction. The study was conducted by making a total solid variation of 7%, 9%, 11%, 13%, 19%, 21%, 23% and C/N ratio 25 and 30. The study started with carica waste collection process and examination of the total composition of solids and water content. Thereafter, calculation and determination of variation of C / N ratio by mixing the substrate with inoculum and urea into the reactor. Observe the volume of biogas produced every two-day intervals. The highest biogas production rate of 1.7825 ml/g TS day was obtained from carica solid waste variable by liquid state anaerobic disgestion and C/N 25.

  12. Nitrogen removal and nitrous oxide emission in surface flow constructed wetlands for treating sewage treatment plant effluent: Effect of C/N ratios.

    Science.gov (United States)

    Li, Ming; Wu, Haiming; Zhang, Jian; Ngo, Huu Hao; Guo, Wenshan; Kong, Qiang

    2017-09-01

    In order to design treatment wetlands with maximal nitrogen removal and minimal nitrous oxide (N 2 O) emission, the effect of influent C/N ratios on nitrogen removal and N 2 O emission in surface flow constructed wetlands (SF CWs) for sewage treatment plant effluent treatment was investigated in this study. The results showed that nitrogen removal and N 2 O emission in CWs were significantly affected by C/N ratio of influent. Much higher removal efficiency of NH 4 + -N (98%) and TN (90%) was obtained simultaneously in SF CWs at C/N ratios of 12:1, and low N 2 O emission (8.2mg/m 2 /d) and the percentage of N 2 O-N emission in TN removal (1.44%) were also observed. These results obtained in this study would be utilized to determine how N 2 O fluxes respond to variations in C/N ratios and to improve the sustainability of CWs for wastewater treatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Combined Stable Carbon Isotope and C/N Ratios as Indicators of Source and Fate of Organic Matter in the Bang Pa kong River Estuary, Thailand

    International Nuclear Information System (INIS)

    Boonphakdee, Thanomsak; Kasai, Akihide; Fujiwara, Tateki; Sawangwong, Pichan; Cheevaporn, Voravit

    2007-08-01

    Full text: Stable carbon isotopes and C/N ratios of particulate organic matter (POM) in suspended solids and surficial sediment were used to define the spatial and temporal variability in an anthropogenic tropical river estuary, the Bang Pa kong River Estuary. Samples were taken along salinity gradients during the four different river discharges in the beginning, high river discharge and at the end of the wet season, and low river discharge during the dry season. The values of [C/N]a ratio and d13C in the river estuary revealed significant differences from those of the offshore station. Conservative behaviors of [C/N]a and d13C in the estuary during the wet season indicated major contribution of terrigenous C3 plants derived OM. By contrast, during the dry season, marine input mainly dominated OM contribution with an evidence of anthropogenic input to the estuary. These compositions of the bulk sedimentary OM were dominated by paddy rice soils and marine derived OM during the wet and dry seasons, respectively. These results show that the combined stable carbon isotopes and C/N ratios can be used to identify the source and fate of OM even in a river estuary. This tool will be useful to achieve sustainable management in coastal zone

  14. Effects of stocking density of freshwater prawn Macrobrachium rosenbergii and addition of different levels of tilapia Oreochromis niloticus on production in C/N controlled periphyton based system

    NARCIS (Netherlands)

    Asaduzzaman, M.; Wahab, M.A.; Verdegem, M.C.J.; Mondal, M.N.; Azim, M.E.

    2009-01-01

    An on-station trial was conducted to evaluate the effect of stocking density of freshwater prawn and addition of different levels of tilapia on production in carbon/nitrogen (C/N) controlled periphyton based system. The experiment had a 2 × 3 factorial design, in which two levels of prawn stocking

  15. Effects of addition of tilapia Oreochromis niloticus and substrates for periphyton developments on pond ecology and production in C/N-controlled freshwater prawn Macrobrachium rosenbergii farming systems

    NARCIS (Netherlands)

    Asaduzzaman, M.; Wahab, M.A.; Verdegem, M.C.J.; Benerjee, S.; Akter, T.; Hasan, M.M.; Azim, M.E.

    2009-01-01

    The present research investigated the effect of addition of tilapia and substrates for periphyton development on pond ecology, production and economic performances in C/N controlled freshwater prawn farming system. The absence and presence (0 and 0.5 individual m- 2) of tilapia were investigated in

  16. Diamond ages from Victor (Superior Craton): Intra-mantle cycling of volatiles (C, N, S) during supercontinent reorganisation

    Science.gov (United States)

    Aulbach, S.; Creaser, Robert A.; Stachel, Thomas; Heaman, Larry M.; Chinn, Ingrid L.; Kong, Julie

    2018-05-01

    The central Superior Craton hosts both the diamondiferous 1.1 Ga Kyle Lake and Jurassic Attawapiskat kimberlites. A major thermal event related to the Midcontinent Rift at ca. 1.1 Ga induced an elevated geothermal gradient that largely destroyed an older generation of diamonds, raising the question of when, and how, the diamond inventory beneath Attawapiskat was formed. We determined Re-Os isotope systematics of sulphides included in diamonds from Victor by isotope dilution negative thermal ionisation mass spectrometry in order to obtain insights into the age and nature of the diamond source in the context of regional tectonothermal evolution. Regression of the peridotitic inclusion data (n = 14 of 16) yields a 718 ± 49 Ma age, with an initial 187Os/188Os ratio of 0.1177 ± 0.0016, i.e. depleted at the time of formation (γOs -3.7 ± 1.3). Consequently, Re depletion model ages calculated for these samples are systematically overestimated. Given that reported 187Os/188Os in olivine from Attawapiskat xenoliths varies strongly (0.1012-0.1821), the low and nearly identical initial Os of sulphide inclusions combined with their high 187Re/188Os (median 0.34) suggest metasomatic formation from a mixed source. This was likely facilitated by percolation of amounts of melt sufficient to homogenise Os, (re)crystallise sulphide and (co)precipitate diamond; that is, the sulphide inclusions and their diamond host are synchronous if not syngenetic. The ∼720 Ma age corresponds to rifting beyond the northern craton margin during Rodinia break-up. This suggests mobilisation of volatiles (C, N, S) and Os due to attendant mantle stretching and metasomatism by initially oxidising and S-undersaturated melts, which ultimately produced lherzolitic diamonds with high N contents compared to older Kyle Lake diamonds. Thus, some rift-influenced settings are prospective with respect to diamond formation. They are also important sites of hidden, intra-lithospheric volatile redistribution

  17. Volatiles (H, C, N, O, noble gases) in comets as tracers of early solar system events (Invited)

    Science.gov (United States)

    Marty, B.

    2013-12-01

    Volatiles (H, C, N, O, noble gases) present the largest variations in their relative abundances and, importantly, in their isotopic ratios, among solar system elements. The original composition of the protosolar nebula has been investigated through the measurements of primitive meteorites and of in-situ (e.g. Galileo probe analysis of the Jupiter's atmosphere) and sample-return (Genesis, recovery and analysis of solar wind) missions. The protosolar gas was poor in deuterium, in 15N and in 17,18O. Variations among solar system reservoir reach several hundreds of percents for the D/H and 15N/14N ratios. These variations are possibly : (i) due to interactions between XUV photons of the proto-Sun and the-dust, (ii) result from low temperature ion-molecule reactions, or (iii) constitute an heritage on interstellar volatiles trapped in dust (e.g., organics). Likewise, noble gases are elementally and isotopically (1% per amu for xenon) fractionated with respect to the composition of the solar wind (our best proxy for the protosolar nebula composition). Cometary matter directly measured on coma, or in Stardust material, or in IDPs, seems to present among the largest heterogeneities in their stable isotope compositions but knowledge on their precise compositions of the different phases and species is partial and mosty lacking. Among the several important issues requiring a better knowledge of cometary volatiles are the origin(s) of volatile elements on Earth and Moon, on Mars and on Venus, understanding large scale circulation of matter between hot and frozen zones, and the possibility of interstellar heritage for organics. Critical measurements to be made by the next cometary missions include the value of the D/H ratio in water ice, in NH3 and organics. Nitrogen is particularly interesting as cometary HCN and CN are rich in 15N, but an isotoppe mass balance will require to measure the main host species (N2 ?). Noble gases are excellent tracers of physical processes

  18. The extended variant of the bond valence-bond length correlation curve for boron(III)-oxygen bonds

    International Nuclear Information System (INIS)

    Sidey, Vasyl

    2015-01-01

    The extended variant of the bond valence (s)-bond length (r) correlation curve for boron(III)-oxygen bonds has been closely approximated using the three-parameter function s = [k/(r - l)] - m, where s is measured in valence units (vu), r is measured in Aa, k = 0.53 Aa.vu, l = 0.975(1) Aa and m = 0.32 vu. The function s = exp[(r 0 - r)/b] traditionally used in the modern bond valence model requires the separate set of the bond valence parameters (r 0 = 1.362 Aa; b = 0.23 Aa) in order to approximate the above s-r curve for the bonds shorter than ∝1.3 Aa.

  19. Mechatronic modeling and simulation using bond graphs

    CERN Document Server

    Das, Shuvra

    2009-01-01

    Introduction to Mechatronics and System ModelingWhat Is Mechatronics?What Is a System and Why Model Systems?Mathematical Modeling Techniques Used in PracticeSoftwareBond Graphs: What Are They?Engineering SystemsPortsGeneralized VariablesBond GraphsBasic Components in SystemsA Brief Note about Bond Graph Power DirectionsSummary of Bond Direction RulesDrawing Bond Graphs for Simple Systems: Electrical and MechanicalSimplification Rules for Junction StructureDrawing Bond Graphs for Electrical SystemsDrawing Bond Graphs for Mechanical SystemsCausalityDrawing Bond Graphs for Hydraulic and Electronic Components and SystemsSome Basic Properties and Concepts for FluidsBond Graph Model of Hydraulic SystemsElectronic SystemsDeriving System Equations from Bond GraphsSystem VariablesDeriving System EquationsTackling Differential CausalityAlgebraic LoopsSolution of Model Equations and Their InterpretationZeroth Order SystemsFirst Order SystemsSecond Order SystemTransfer Functions and Frequency ResponsesNumerical Solution ...

  20. Progress in cold roll bonding of metals

    International Nuclear Information System (INIS)

    Li Long; Nagai, Kotobu; Yin Fuxing

    2008-01-01

    Layered composite materials have become an increasingly interesting topic in industrial development. Cold roll bonding (CRB), as a solid phase method of bonding same or different metals by rolling at room temperature, has been widely used in manufacturing large layered composite sheets and foils. In this paper, we provide a brief overview of a technology using layered composite materials produced by CRB and discuss the suitability of this technology in the fabrication of layered composite materials. The effects of process parameters on bonding, mainly including process and surface preparation conditions, have been analyzed. Bonding between two sheets can be realized when deformation reduction reaches a threshold value. However, it is essential to remove surface contamination layers to produce a satisfactory bond in CRB. It has been suggested that the degreasing and then scratch brushing of surfaces create a strong bonding between the layers. Bonding mechanisms, in which the film theory is expressed as the major mechanism in CRB, as well as bonding theoretical models, have also been reviewed. It has also been showed that it is easy for fcc structure metals to bond compared with bcc and hcp structure metals. In addition, hardness on bonding same metals plays an important part in CRB. Applications of composites produced by CRB in industrial fields are briefly reviewed and possible developments of CRB in the future are also described. Corrections were made to the abstract and conclusion of this article on 18 June 2008. The corrected electronic version is identical to the print version. (topical review)

  1. Carbon, nitrogen and phosphorus accumulation and partitioning, and C:N:P stoichiometry in late-season rice under different water and nitrogen managements.

    Directory of Open Access Journals (Sweden)

    Yushi Ye

    Full Text Available Water and nitrogen availability plays an important role in the biogeochemical cycles of essential elements, such as carbon (C, nitrogen (N and phosphorus (P, in agricultural ecosystems. In this study, we investigated the seasonal changes of C, N and P concentrations, accumulation, partitioning, and C:N:P stoichiometric ratios in different plant tissues (root, stem-leaf, and panicle of late-season rice under two irrigation regimes (continuous flooding, CF; alternate wetting and drying, AWD and four N managements (control, N0; conventional urea at 240 kg N ha(-1, UREA; controlled-release bulk blending fertilizer at 240 kg N ha(-1, BBF; polymer-coated urea at 240 kg N ha(-1, PCU. We found that water and N treatments had remarkable effects on the measured parameters in different plant tissues after transplanting, but the water and N interactions had insignificant effects. Tissue C:N, N:P and C:P ratios ranged from 14.6 to 52.1, 3.1 to 7.8, and 76.9 to 254.3 over the rice growing seasons, respectively. The root and stem-leaf C:N:P and panicle C:N ratios showed overall uptrends with a peak at harvest whereas the panicle N:P and C:P ratios decreased from filling to harvest. The AWD treatment did not affect the concentrations and accumulation of tissue C and N, but greatly decreased those of P, resulting in enhanced N:P and C:P ratios. N fertilization significantly increased tissue N concentration, slightly enhanced tissue P concentration, but did not affect tissue C concentration, leading to a significant increase in tissue N:P ratio but a decrease in C:N and C:P ratios. Our results suggested that the growth of rice in the Taihu Lake region was co-limited by N and P. These findings broadened our understanding of the responses of plant C:N:P stoichiometry to simultaneous water and N managements in subtropical high-yielding rice systems.

  2. Carbon, Nitrogen and Phosphorus Accumulation and Partitioning, and C:N:P Stoichiometry in Late-Season Rice under Different Water and Nitrogen Managements

    Science.gov (United States)

    Ye, Yushi; Liang, Xinqiang; Chen, Yingxu; Li, Liang; Ji, Yuanjing; Zhu, Chunyan

    2014-01-01

    Water and nitrogen availability plays an important role in the biogeochemical cycles of essential elements, such as carbon (C), nitrogen (N) and phosphorus (P), in agricultural ecosystems. In this study, we investigated the seasonal changes of C, N and P concentrations, accumulation, partitioning, and C:N:P stoichiometric ratios in different plant tissues (root, stem-leaf, and panicle) of late-season rice under two irrigation regimes (continuous flooding, CF; alternate wetting and drying, AWD) and four N managements (control, N0; conventional urea at 240 kg N ha−1, UREA; controlled-release bulk blending fertilizer at 240 kg N ha−1, BBF; polymer-coated urea at 240 kg N ha−1, PCU). We found that water and N treatments had remarkable effects on the measured parameters in different plant tissues after transplanting, but the water and N interactions had insignificant effects. Tissue C:N, N:P and C:P ratios ranged from 14.6 to 52.1, 3.1 to 7.8, and 76.9 to 254.3 over the rice growing seasons, respectively. The root and stem-leaf C:N:P and panicle C:N ratios showed overall uptrends with a peak at harvest whereas the panicle N:P and C:P ratios decreased from filling to harvest. The AWD treatment did not affect the concentrations and accumulation of tissue C and N, but greatly decreased those of P, resulting in enhanced N:P and C:P ratios. N fertilization significantly increased tissue N concentration, slightly enhanced tissue P concentration, but did not affect tissue C concentration, leading to a significant increase in tissue N:P ratio but a decrease in C:N and C:P ratios. Our results suggested that the growth of rice in the Taihu Lake region was co-limited by N and P. These findings broadened our understanding of the responses of plant C:N:P stoichiometry to simultaneous water and N managements in subtropical high-yielding rice systems. PMID:24992006

  3. Bonding and structure in dense multi-component molecular mixtures.

    Science.gov (United States)

    Meyer, Edmund R; Ticknor, Christopher; Bethkenhagen, Mandy; Hamel, Sebastien; Redmer, Ronald; Kress, Joel D; Collins, Lee A

    2015-10-28

    We have performed finite-temperature density functional theory molecular dynamics simulations on dense methane, ammonia, and water mixtures (CH4:NH3:H2O) for various compositions and temperatures (2000 K ≤ T ≤ 10,000 K) that span a set of possible conditions in the interiors of ice-giant exoplanets. The equation-of-state, pair distribution functions, and bond autocorrelation functions (BACF) were used to probe the structure and dynamics of these complex fluids. In particular, an improvement to the choice of the cutoff in the BACF was developed that allowed analysis refinements for density and temperature effects. We note the relative changes in the nature of these systems engendered by variations in the concentration ratios. A basic tenet emerges from all these comparisons that varying the relative amounts of the three heavy components (C,N,O) can effect considerable changes in the nature of the fluid and may in turn have ramifications for the structure and composition of various planetary layers.

  4. The Nature of the Hydrogen Bond Outline of a Comprehensive Hydrogen Bond Theory

    CERN Document Server

    Gilli, Gastone

    2009-01-01

    Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very beginning and presented as an inclusive compilation of experimental H-bond energies andgeometries.New concepts emerge from this analysis: new classes of systematically strong H-bonds (CAHBs and RAHBs: cha

  5. DETERMINANTS OF ORI001 TYPE GOVERNMENT BOND

    Directory of Open Access Journals (Sweden)

    Yosandi Yulius

    2011-09-01

    Full Text Available The need to build a strong bond market is amenable, especially after the 1997 crises. This paper analyzes the influence of deposit interest rate, foreign exchange rates, and Composite Stock Price Index on yield-to-maturity of Bond Series Retail ORI001, employing monthly data from Bloomberg information service, 2006(8 to 2008(12, using Generalized Autoregressive Conditional Heteroscedasticity type models. It finds the evidence that deposit interest rate and exchange rate have positive significant influence on the bond, and that stock index has a negative significant influence on the bond. It also finds that Deposit Interest Rate, exchange rate, and the stock index significantly influence the bond altogether.Keywords: Interest rate, exchange rate, composite stock price index, yield-to-maturity, bondJEL classification numbers: G12, G15

  6. Theoretical investigation of compounds with triple bonds

    International Nuclear Information System (INIS)

    Devarajan, Deepa

    2011-01-01

    In this thesis, compounds with potential triple-bonding character involving the heavier main-group elements, Group 4 transition metals, and the actinides uranium and thorium were studied by using molecular quantum mechanics. The triple bonds are described in terms of the individual orbital contributions (σ, π parallel , and π perpendicular to ), involving electron-sharing covalent or donor-acceptor interactions between the orbitals of two atoms or fragments. Energy decomposition, natural bond orbital, and atoms in molecules analyses were used for the bonding analysis of the triple bonds. The results of this thesis suggest that the triple-bonding character between the heavier elements of the periodic table is important and worth further study and exploration.

  7. Generalized bond percolation and statistical mechanics

    International Nuclear Information System (INIS)

    Tsallis, C.

    1978-05-01

    A generalization of traditional bond percolation is performed, in the sens that bonds have now the possibility of partially transmitting the information (a fact which leads to the concept of 'fidelity' of the bond), and also in the sens that, besides the normal tendency to equiprobability, the bonds are allowed to substantially change the information. Furthermore the fidelity is allowed, to become an aleatory variable, and the operational rules concerning the associated distribution laws are determined. Thermally quenched random bonds and the whole body of Statistical Mechanics become particular cases of this formalism, which is in general adapted to the treatment of all problems whose main characteristic is to preserve a part of the information through a long path or array (critical phenomena, regime changements, thermal random models, etc). Operationally it provides a quick method for the calculation of the equivalent probability of complex clusters within the traditional bond percolation problem [pt

  8. Rational Design of Disulfide Bonds Increases Thermostability of a Mesophilic 1,3-1,4-β-Glucanase from Bacillus terquilensis.

    Directory of Open Access Journals (Sweden)

    Chengtuo Niu

    Full Text Available 1,3-1,4-β-glucanase is an important biocatalyst in brewing industry and animal feed industry, while its low thermostability often reduces its application performance. In this study, the thermostability of a mesophilic β-glucanase from Bacillus terquilensis was enhanced by rational design and engineering of disulfide bonds in the protein structure. Protein spatial configuration was analyzed to pre-exclude the residues pairs which negatively conflicted with the protein structure and ensure the contact of catalytic center. The changes in protein overall and local flexibility among the wild-type enzyme and the designated mutants were predicted to select the potential disulfide bonds for enhancement of thermostability. Two residue pairs (N31C-T187C and P102C-N125C were chosen as engineering targets and both of them were proved to significantly enhance the protein thermostability. After combinational mutagenesis, the double mutant N31C-T187C/P102C-N125C showed a 48.3% increase in half-life value at 60°C and a 4.1°C rise in melting temperature (Tm compared to wild-type enzyme. The catalytic property of N31C-T187C/P102C-N125C mutant was similar to that of wild-type enzyme. Interestingly, the optimal pH of double mutant was shifted from pH6.5 to pH6.0, which could also increase its industrial application. By comparison with mutants with single-Cys substitutions, the introduction of disulfide bonds and the induced new hydrogen bonds were proved to result in both local and overall rigidification and should be responsible for the improved thermostability. Therefore, the introduction of disulfide bonds for thermostability improvement could be rationally and highly-effectively designed by combination with spatial configuration analysis and molecular dynamics simulation.

  9. Improving risk allocation through cat bonds

    OpenAIRE

    Nell, Martin; Richter, Andreas

    2002-01-01

    Catastrophe bonds (cat bonds) often use index triggers, such as, for instance, parametric descriptions of a catastrophe. This implies the problem of the so-called basis risk, resulting from the fact that, in contrast to traditional reinsurance, this kind of coverage cannot be a perfect hedge for the primary's insured portfolio. On the other hand, cat bonds offer some very attractive economic features: Besides their usefulness as a solution to the problems of moral hazard and default risk, an ...

  10. Decomposing European bond and equity volatility

    OpenAIRE

    Christiansen, Charlotte

    2004-01-01

    The paper investigates volatility spillover from US and aggregate European asset markets into European national asset markets. A main contribution is that bond and equity volatilities are analyzed simultaneously. A new model belonging to the "volatilityspillover" family is suggested: The conditional variance of e.g. the unexpected German stock return is divided into separate effects from the contemporaneous idiosyncratic variance of US bonds, US stocks, European bonds, European stocks, German...

  11. Halogen bonding in solution: thermodynamics and applications.

    Science.gov (United States)

    Beale, Thomas M; Chudzinski, Michael G; Sarwar, Mohammed G; Taylor, Mark S

    2013-02-21

    Halogen bonds are noncovalent interactions in which covalently bound halogens act as electrophilic species. The utility of halogen bonding for controlling self-assembly in the solid state is evident from a broad spectrum of applications in crystal engineering and materials science. Until recently, it has been less clear whether, and to what extent, halogen bonding could be employed to influence conformation, binding or reactivity in the solution phase. This tutorial review summarizes and interprets solution-phase thermodynamic data for halogen bonding interactions obtained over the past six decades and highlights emerging applications in molecular recognition, medicinal chemistry and catalysis.

  12. Cold pressure welding - the mechanisms governing bonding

    DEFF Research Database (Denmark)

    Bay, Niels

    1979-01-01

    Investigations of the bonding surface in scanning electron microscope after fracture confirm the mechanisms of bond formation in cold pressure welding to be: fracture of work-hardened surface layer, surface expansion increasing the area of virgin surface, extrusion of virgin material through cracks...... of the original surface layer, and establishment of real contact and bonding between virgin material. This implies that normal pressure as well as surface expansion are basic parameters governing the bond strength. Experimental investigations of pressure welding Al-Al under plane strain compression in a specially...

  13. THEORETICAL AND NUMERICAL VALUATION OF CALLABLE BONDS

    OpenAIRE

    Dejun Xie

    2009-01-01

    This paper studies the value of a callable bond and the bond issuer’s optimal financial decision regarding whether to continue the investment on the market or call the bond. Assume the market investment return follows a stochastic model, the value of contract is formulated as a partial differential equation system embedded with a free boundary, defining the level of market return rate at which it is optimal for the issuer to call the bond. A fundamental solution of the partial differential ...

  14. Syntheses of super-hard boron-rich solids in the B-C-N-O system

    Science.gov (United States)

    Hubert, Herve Pierre

    Alpha-rhombohedral (alpha-rh.) B-rich materials belonging to the B-C-N-O system were prepared using high-pressure, high-temperature techniques. The samples were synthesized using a multianvil device and characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and parallel electron energy-loss spectroscopy (PEELS). In the B-O system, the formation of BsbxO materials produced from mixtures of B and Bsb2Osb3 between 1 to 10 GPa and 1000 to 1800sp°C was investigated. Graphitic and diamond-like Bsb2O, reported in previous studies, were not detected. The refractory boron suboxide, nominally Bsb6O, which has the alpha-rh. B structure, is the dominant suboxide in the P and T range of our investigation. High-pressure techniques were used successfully to synthesize boron suboxide of improved purity and crystallinity, and less oxygen-deficient (i.e., closer to the nominal Bsb6O composition) in comparison to room-pressure syntheses. Quantitative analyses indicate compositions of Bsb6Osb{0.95} and Bsb6Osb{0.77} for high-pressure and room-pressure samples, respectively. The first preparation, between 4 to 5.5 GPa, of Bsb6O in which the preferred form of the material is as macroscopic near-perfect regular icosahedra (to 30 mum in diameter) is reported. The Bsb6O icosahedra are similar to the multiply-twinned particles observed in some cubic materials. However, a major difference is that Bsb6O has a rhombohedral structure that closely fits the geometrical requirements for obtaining icosahedral twins. The Bsb6O grains are neither 3D-periodic nor quasicrystalline. Their formation can be described as a Mackay packing of icosahedral Bsb{12} units and provides an alternative to crystal formation by propagation of translational symmetry. Icosahedral twins ranging from 20 nm to 30 mum in diameter, as well as micron-sized euhedral crystals (to 40 mum) were prepared. The structural similarity of compounds with the alpha

  15. Bonding in ZnSb

    DEFF Research Database (Denmark)

    Bjerg, Lasse; Madsen, Georg K. H.; Iversen, Bo Brummerstedt

    Thermoelectric materials are capable of converting waste heat into usable electric energy. The conversion efficiency depends critically on the electronic band structure. Theoretical calculations predict the semiconducting ZnSb to have a promising efficiency if it is n-doped. The details of the lo......Thermoelectric materials are capable of converting waste heat into usable electric energy. The conversion efficiency depends critically on the electronic band structure. Theoretical calculations predict the semiconducting ZnSb to have a promising efficiency if it is n-doped. The details...... of the lowest conduction band have therefore been investigated. Electrons placed in the lowest conduction band are predicted to increase the bonding between second nearest neighbour atoms. This causes a lowering of the energy at special points in the first Brillouin zone. Thereby, the dispersion of the lowest...

  16. Financial Assets [share, bonds] & Ancylia

    Science.gov (United States)

    Maksoed, Wh-

    2016-11-01

    Instead Elaine Scarry: "Thermonuclear monarchy" reinvent Carry Nation since Aug 17, 1965 the Republic of Indonesia's President speech: "Reach to the Star", for "cancellation" usually found in External Debt herewith retrieved from "the Window of theWorld": Ancylia, feast in March, a month named after Mars, the god of war. "On March 19 they used to put on their biggest performance of gymnastics in order to "bribe" their god for another good year", further we have vacancy & "vacuum tube"- Bulat Air karena Pembuluh, Bulat Kata karena Mufakat" proverb from Minangkabau, West Sumatra. Follows March 19, 1984 are first prototype flight of IAI Astra Jet as well as March 19, 2012 invoice accompanies Electric car Kujang-193, Fainancial Assets [share, bonds] are the answer for "infrastructure" & state owned enterprises assets to be hedged first initial debt per capita accordances. Heartfelt gratitudes to HE. Mr. Ir. Sarwono Kusumaatmadja/PT. Smartfren INDONESIA.

  17. Tunable, Chemo- and Site-Selective Nitrene Transfer Reactions through the Rational Design of Silver(I) Catalysts.

    Science.gov (United States)

    Alderson, Juliet M; Corbin, Joshua R; Schomaker, Jennifer M

    2017-09-19

    Carbon-nitrogen (C-N) bonds are ubiquitous in pharmaceuticals, agrochemicals, diverse bioactive natural products, and ligands for transition metal catalysts. An effective strategy for introducing a new C-N bond into a molecule is through transition metal-catalyzed nitrene transfer chemistry. In these reactions, a metal-supported nitrene can either add across a C═C bond to form an aziridine or insert into a C-H bond to furnish the corresponding amine. Typical catalysts for nitrene transfer include Rh 2 L n and Ru 2 L n complexes supported by bridging carboxylate and related ligands, as well as complexes based on Cu, Co, Ir, Fe, and Mn supported by porphyrins and related ligands. A limitation of metal-catalyzed nitrene transfer is the ability to predictably select which specific site will undergo amination in the presence of multiple reactive groups; thus, many reactions rely primarily on substrate control. Achieving true catalyst-control over nitrene transfer would open up exciting possibilities for flexible installation of new C-N bonds into hydrocarbons, natural product-inspired scaffolds, existing pharmaceuticals or biorenewable building blocks. Silver-catalyzed nitrene transfer enables flexible control over the position at which a new C-N bond is introduced. Ag(I) supported by simple N-donor ligands accommodates a diverse range of coordination geometries, from linear to tetrahedral to seesaw, enabling the electronic and steric parameters of the catalyst to be tuned independently. In addition, the ligand, Ag salt counteranion, Ag/ligand ratio and the solvent all influence the fluxional and dynamic behavior of Ag(I) complexes in solution. Understanding the interplay of these parameters to manipulate the behavior of Ag-nitrenes in a predictable manner is a key design feature of our work. In this Account, we describe successful applications of a variety of design principles to tunable, Ag-catalyzed aminations, including (1) changing Ag/ligand ratios to influence

  18. Reductive Elimination Leading to C-C Bond Formation in Gold(III) Complexes: A Mechanistic and Computational Study.

    Science.gov (United States)

    Rocchigiani, Luca; Fernandez-Cestau, Julio; Budzelaar, Peter H M; Bochmann, Manfred

    2018-06-21

    The factors affecting the rates of reductive C-C cross-coupling reactions in gold(III) aryls were studied by using complexes that allow easy access to a series of electronically modified aryl ligands, as well as to gold methyl and vinyl complexes, by using the pincer compounds [(C^N^C)AuR] (R=C 6 F 5 , CH=CMe 2 , Me and p-C 6 H 4 X, where X=OMe, F, H, tBu, Cl, CF 3 , or NO 2 ) as starting materials (C^N^C=2,6-(4'-tBuC 6 H 3 ) 2 pyridine dianion). Protodeauration followed by addition of one equivalent SMe 2 leads to the quantitative generation of the thioether complexes [(C^N-CH)AuR(SMe 2 )] + . Upon addition of a second SMe 2 pyridine is displaced, which triggers the reductive aryl-R elimination. The rates for these cross-couplings increase in the sequence k(vinyl)>k(aryl)≫k(C 6 F 5 )>k(Me). Vinyl-aryl coupling is particularly fast, 1.15×10 -3  L mol -1  s -1 at 221 K, whereas both C 6 F 5 and Me couplings encountered higher barriers for the C-C bond forming step. The use of P(p-tol) 3 in place of SMe 2 greatly accelerates the C-C couplings. Computational modelling shows that in the C^N-bonded compounds displacement of N by a donor L is required before the aryl ligands can adopt a conformation suitable for C-C bond formation, so that elimination takes place from a four-coordinate intermediate. The C-C bond formation is the rate-limiting step. In the non-chelating case, reductive C(sp 2 )-C(sp 2 ) elimination from three-coordinate ions [(Ar 1 )(Ar 2 )AuL] + is almost barrier-free, particularly if L=phosphine. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Recent progress in transition-metal-catalyzed reduction of molecular dinitrogen under ambient reaction conditions.

    Science.gov (United States)

    Nishibayashi, Yoshiaki

    2015-10-05

    This paper describes our recent progress in catalytic nitrogen fixation by using transition-metal-dinitrogen complexes as catalysts. Two reaction systems for the catalytic transformation of molecular dinitrogen into ammonia and its equivalent such as silylamine under ambient reaction conditions have been achieved by the molybdenum-, iron-, and cobalt-dinitrogen complexes as catalysts. Many new findings presented here may provide new access to the development of economical nitrogen fixation in place of the Haber-Bosch process.

  20. Transition metal catalyzed C-H activation for the synthesis of ...

    Indian Academy of Sciences (India)

    DEBJIT BASU

    2018-06-14

    Jun 14, 2018 ... construction of biaryls, which are considered to be the important ... The quest that gained significance over the period of time is to develop .... tic pathway that involve a directed C-H activation.20 This methodology was later ...

  1. Tritium labelled nucleotides: Heterogeneous metal catalyzed exchange labelling of ATP with tritium gas

    International Nuclear Information System (INIS)

    Jaiswal, D.K.; Morimoto, H.; Williams, P.G.; Wemmer, D.E.

    1991-09-01

    Adenosine 5' triphosphate (ATP) in aqueous solution has been labeled by exchange with tritium gas in the presence of palladium oxide catalyst. Comparison with our experiments using Pd/BaSO 4 as the catalyst shows that we have obtained product with higher specific activity and improved chemical purity. 3 H NMR spectroscopy of the tritiated ATP shows labelling in both the C-8 and C-2 positions, and the integral ratio of these positions was found to vary from 3:1 to 1:1 under different reaction conditions. 5 refs., 1 fig., 2 tabs

  2. Noble metal catalyzed hydrogen generation from formic acid in nitrite-containing simulated nuclear waste media

    International Nuclear Information System (INIS)

    King, R.B.; Bhattacharyya, N.K.; Wiemers, K.D.

    1994-08-01

    Simulants for the Hanford Waste Vitrification Plant (HWVP) feed containing the major non-radioactive components Al, Cd, Fe, Mn, Nd, Ni, Si, Zr, Na, CO 3 2- , NO 3 -, and NO 2 - were used as media to evaluate the stability of formic acid towards hydrogen evolution by the reaction HCO 2 H → H 2 + CO 2 catalyzed by the noble metals Ru, Rh, and/or Pd found in significant quantities in uranium fission products. Small scale experiments using 40-50 mL of feed simulant in closed glass reactors (250-550 mL total volume) at 80-100 degree C were used to study the effect of nitrite and nitrate ion on the catalytic activities of the noble metals for formic acid decomposition. Reactions were monitored using gas chromatography to analyze the CO 2 , H 2 , NO, and N 2 O in the gas phase as a function of time. Rhodium, which was introduced as soluble RhCl 3 ·3H 2 O, was found to be the most active catalyst for hydrogen generation from formic acid above ∼80 degree C in the presence of nitrite ion in accord with earlier observations. The inherent homogeneous nature of the nitrite-promoted Rh-catalyzed formic acid decomposition is suggested by the approximate pseudo first-order dependence of the hydrogen production rate on Rh concentration. Titration of the typical feed simulants containing carbonate and nitrite with formic acid in the presence of rhodium at the reaction temperature (∼90 degree C) indicates that the nitrite-promoted Rh-catalyzed decomposition of formic acid occurs only after formic acid has reacted with all of the carbonate and nitrite present to form CO 2 and NO/N 2 O, respectively. The catalytic activities of Ru and Pd towards hydrogen generation from formic acid are quite different than those of Rh in that they are inhibited rather than promoted by the presence of nitrite ion

  3. Ligand intermediates in metal-catalyzed reactions; Annual technical report, August 1, 1992--August 1, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Gladysz, J.A.

    1993-08-10

    Achievements are reported for the following 4 areas: {pi}/{sigma} equillibria in aldehyde and ketone complexes; thermodynamic ligand binding affinities ({alpha},{beta} unsaturated organic carbonyl compounds); (a new form of coordinated carbon) an unsupported C{sub 3} chain that spans two different transition metals; and (a new form of coordinated carbon) an C{sub 3} chain that is anchored by a metal on each end and spanned by a third.

  4. Single-site catalyst promoters accelerate metal-catalyzed nitroarene hydrogenation

    KAUST Repository

    Wang, Liang

    2018-04-04

    Atomically dispersed supported metal catalysts are drawing wide attention because of the opportunities they offer for new catalytic properties combined with efficient use of the metals. We extend this class of materials to catalysts that incorporate atomically dispersed metal atoms as promoters. The catalysts are used for the challenging nitroarene hydrogenation and found to have both high activity and selectivity. The promoters are single-site Sn on TiO2 supports that incorporate metal nanoparticle catalysts. Represented as M/Sn-TiO2 (M = Au, Ru, Pt, Ni), these catalysts decidedly outperform the unpromoted supported metals, even for hydrogenation of nitroarenes substituted with various reducible groups. The high activity and selectivity of these catalysts result from the creation of oxygen vacancies on the TiO2 surface by single-site Sn, which leads to efficient, selective activation of the nitro group coupled with a reaction involving hydrogen atoms activated on metal nanoparticles.

  5. Synthesis of a novel chemotype via sequential metal-catalyzed cycloisomerizations

    Directory of Open Access Journals (Sweden)

    Bo Leng

    2012-08-01

    Full Text Available Sequential cycloisomerizations of diynyl o-benzaldehyde substrates to access novel polycyclic cyclopropanes are reported. The reaction sequence involves initial Cu(I-mediated cycloisomerization/nucleophilic addition to an isochromene followed by diastereoselective Pt(II-catalyzed enyne cycloisomerization.

  6. Single-site catalyst promoters accelerate metal-catalyzed nitroarene hydrogenation

    KAUST Repository

    Wang, Liang; Guan, Erjia; Zhang, Jian; Yang, Junhao; Zhu, Yihan; Han, Yu; Yang, Ming; Cen, Cheng; Fu, Gang; Gates, Bruce C.; Xiao, Feng-Shou

    2018-01-01

    Atomically dispersed supported metal catalysts are drawing wide attention because of the opportunities they offer for new catalytic properties combined with efficient use of the metals. We extend this class of materials to catalysts that incorporate atomically dispersed metal atoms as promoters. The catalysts are used for the challenging nitroarene hydrogenation and found to have both high activity and selectivity. The promoters are single-site Sn on TiO2 supports that incorporate metal nanoparticle catalysts. Represented as M/Sn-TiO2 (M = Au, Ru, Pt, Ni), these catalysts decidedly outperform the unpromoted supported metals, even for hydrogenation of nitroarenes substituted with various reducible groups. The high activity and selectivity of these catalysts result from the creation of oxygen vacancies on the TiO2 surface by single-site Sn, which leads to efficient, selective activation of the nitro group coupled with a reaction involving hydrogen atoms activated on metal nanoparticles.

  7. Multidentate Di-N-heterocyclic carbene ligands for transition metal catalyzed hydrogenation reactions

    NARCIS (Netherlands)

    Sluijter, S.N.

    2015-01-01

    Synthetic catalysts play an important role in creating a more sustainable society. The use of catalysts has environmental as well as economic advantages. They speed up reactions without being consumed in the reaction itself. Moreover, they reduce the amount of byproducts and waste significantly.

  8. Metal-catalyzed Asymmetric Hetero-Diels-Alder Reactions of Unactivated Dienes with Glyoxylates

    DEFF Research Database (Denmark)

    Johannsen, Mogens; Yao, Sulan; Graven, Anette

    1998-01-01

    The development of a catalytic asymmetric hetero-Diels-Alder methodology for the reaction of unactivated dienes with glyoxylates is presented. Several different asymmetric catalysts can be used, but copper-bisoxazolines and aluminium-BINOL give the highest yield, and the best chemo...

  9. Comparative TEM study of bonded silicon/silicon interfaces fabricated by hydrophilic, hydrophobic and UHV wafer bonding

    International Nuclear Information System (INIS)

    Reznicek, A.; Scholz, R.; Senz, S.; Goesele, U.

    2003-01-01

    Wafers of Czochralski-grown silicon were bonded hydrophilically, hydrophobically and in ultrahigh vacuum (UHV) at room temperature. Wafers bonded hydrophilically adhere together by hydrogen bonds, those bonded hydrophobically by van der Waals forces and UHV-bonded ones by covalent bonds. Annealing the pre-bonded hydrophilic and hydrophobic wafer pairs in argon for 2 h at different temperatures increases the initially low bonding energy. UHV-bonded wafer pairs were also annealed to compare the results. Transmission electron microscopy (TEM) investigations show nano-voids at the interface. The void density depends on the initial bonding strength. During annealing the shape, coverage and density of the voids change significantly

  10. Are Bonding Agents being Effective on the Shear Bond Strength of Orthodontic Brackets Bonded to the Composite?

    Directory of Open Access Journals (Sweden)

    Fahimeh Farzanegan

    2014-06-01

    Full Text Available Introduction: One of the clinical problems in orthodontics is the bonding of brackets tocomposite restorations. The aim of this study was to evaluate the shear bondstrength of brackets bonded to composite restorations using Excite. Methods:Forty brackets were bonded to composite surfaces, which were embedded inacrylic resin. One of the following four protocols was employed for surfacepreparation of the composite: group 1 37% phosphoric acid for 60 seconds, group2 roughening with a diamond bur plus 37% phosphoric acid for 60 seconds, group3 37% phosphoric acid for 60 seconds and the applying Excite®, group4 roughening with diamond bur plus 37% phosphoric acid for 60 seconds andapplying Excite®. Maxillary central brackets were bonded onto thecomposite prepared samples with Transbond XT. Shear Bond Strength (SBS wasmeasured by a universal testing machine. The ANOVA and Tukey test was utilizedfor data analysis. Results: There was a significant difference betweenthe four groups (P

  11. Bonding Durability of Four Adhesive Systems

    Directory of Open Access Journals (Sweden)

    Leila Atash Biz Yeganeh

    2016-04-01

    Full Text Available Objectives: This study aimed to compare the durability of four adhesive systems by assessing their microtensile bond strength (MTBS and microleakage during six months of water storage.Materials and Methods: A total of 128 human third molars were used. The adhesives tested were Scotch Bond Multipurpose (SBMP, Single Bond (SB, Clearfil-SE bond (CSEB, and All-Bond SE (ABSE. After sample preparation for MTBS testing, the microspecimens were subjected to microtensile tester after one day and six months of water storage. For microleakage evaluation, facial and lingual class V cavities were prepared and restored with composite. After thermocycling, microleakage was evaluated. Bond strength values were subjected to one-way ANOVA and Tamhane’s test, and the microleakage data were analyzed by the Kruskal-Wallis, Dunn, Mann Whitney and Wilcoxon tests (P<0.05.Results: Single Bond yielded the highest and ABSE yielded the lowest bond strength at one day and six months. Short-term bond strength of SBMP and CSEB was similar. After six months, a significant decrease in bond strength was observed in ABSE and SBMP groups. At one day, ABSE showed the highest microleakage at the occlusal margin; however, at the gingival margin, there was no significant difference among groups. Long-term microleakage of all groups at the occlusal margins was similar, whilst gingival margins of SBMP and SB showed significantly higher microleakage.Conclusion: The highest MTBS and favorable sealability were obtained by Clearfil SE bond. Water storage had no effect on microleakage of self-etch adhesives at the gingival margin or MTBS of CSEB and SB. 

  12. Composite Laser Ceramics by Advanced Bonding Technology.

    Science.gov (United States)

    Ikesue, Akio; Aung, Yan Lin; Kamimura, Tomosumi; Honda, Sawao; Iwamoto, Yuji

    2018-02-09

    Composites obtained by bonding materials with the same crystal structure and different chemical compositions can create new functions that do not exist in conventional concepts. We have succeeded in bonding polycrystalline YAG and Nd:YAG ceramics without any interstices at the bonding interface, and the bonding state of this composite was at the atomic level, similar to the grain boundary structure in ceramics. The mechanical strength of the bonded composite reached 278 MPa, which was not less than the strength of each host material (269 and 255 MPa). Thermal conductivity of the composite was 12.3 W/mK (theoretical value) which is intermediate between the thermal conductivities of YAG and Nd:YAG (14.1 and 10.2 W/mK, respectively). Light scattering cannot be detected at the bonding interface of the ceramic composite by laser tomography. Since the scattering coefficients of the monolithic material and the composite material formed by bonding up to 15 layers of the same materials were both 0.10%/cm, there was no occurrence of light scattering due to the bonding. In addition, it was not detected that the optical distortion and non-uniformity of the refractive index variation were caused by the bonding. An excitation light source (LD = 808 nm) was collimated to 200 μm and irradiated into a commercial 1% Nd:YAG single crystal, but fracture damage occurred at a low damage threshold of 80 kW/cm². On the other hand, the same test was conducted on the bonded interface of 1% Nd:YAG-YAG composite ceramics fabricated in this study, but it was not damaged until the excitation density reached 127 kW/cm². 0.6% Nd:YAG-YAG composite ceramics showed high damage resistance (up to 223 kW/cm²). It was concluded that composites formed by bonding polycrystalline ceramics are ideal in terms of thermo-mechanical and optical properties.

  13. 77 FR 29472 - Surety Companies Acceptable on Federal Bonds-Termination: Atlantic Bonding Company, Inc.

    Science.gov (United States)

    2012-05-17

    ... be accepted from this company, and bonds that are continuous in nature should not be renewed. The... DEPARTMENT OF THE TREASURY Fiscal Service Surety Companies Acceptable on Federal Bonds--Termination: Atlantic Bonding Company, Inc. AGENCY: Financial Management Service, Fiscal Service, Department...

  14. Comparison of Shear Bond Strengths of three resin systems for a Base Metal Alloy bonded to

    Directory of Open Access Journals (Sweden)

    Jlali H

    1999-12-01

    Full Text Available Resin-bonded fixed partial dentures (F.P.D can be used for conservative treatment of partially edentulous"npatients. There are numerous studies regarding the strength of resin composite bond to base meta! alloys. Shear bond"nstrength of three resin systems were invistigated. In this study these systems consisted of: Panavia Ex, Mirage FLC and"nMarathon V. Thirty base metal specimens were prepared from rexillium III alloy and divided into three groups. Then each"ngroup was bonded to enamel of human extracted molar teeth with these systems. All of specimens were stored in water at"n37ac for 48 hours. A shear force was applied to each specimen by the instron universal testing machine. A statistical"nevaluation of the data using one-way analysis of variance showed that there was highly significant difference (P<0.01"nbetween the bond strengths of these three groups."nThe base metal specimens bonded with panavia Ex luting agent, exhibited the highest mean bond strength. Shear bond"nstrength of the specimens bonded to enamel with Mirage F1C showed lower bond strenght than panavia EX. However, the"nlowest bond strength was obtained by the specimens bonded with Marathon V.

  15. The comparison of 18C(n; γ)19C and 18C(α; n)21O reaction rates: consequences for the r-process

    International Nuclear Information System (INIS)

    Dan, M.; Singh, G.; Chatterjee, R.; Shubhchintak

    2017-01-01

    Neutron rich light and medium mass nuclei play a major role in determining the reaction flow towards the r-process seed nuclei production. In this text, we calculate the neutron capture rate of 18 C and compare it with that of α-capture by the same nucleus in the temperature range T 9 = 0:1 - 10. This temperature range roughly equals to an energy range of 1 keV to 1 MeV in centre of mass frame, where it is very difficult to perform direct reaction experiments. Further, the theoretical construction of 18 C-n continuum state for the 18 C(n; γ) 19 C direct reaction is a tedious job

  16. Photocatalytic Degradation of 4-Nitrophenol by C, N-TiO2: Degradation Efficiency vs. Embryonic Toxicity of the Resulting Compounds

    Science.gov (United States)

    Osin, Oluwatomiwa A.; Yu, Tianyu; Cai, Xiaoming; Jiang, Yue; Peng, Guotao; Cheng, Xiaomei; Li, Ruibin; Qin, Yao; Lin, Sijie

    2018-06-01

    The photocatalytic activity of TiO2 based photocatalysts can be improved by structural modification and elemental doping. In this study, through rational design, one type of carbon and nitrogen co-doped TiO2 (C, N-TiO2) photocatalyst with mesoporous structure was synthesized with improved photocatalytic activity in degrading 4-nitrophenol under simulated sunlight irradiation. The photocatalytic degradation efficiency of the C, N-TiO2 was much higher than the anatase TiO2 (A-TiO2) based on absorbance and HPLC analyses. Moreover, using zebrafish embryos, we showed that the intermediate degradation compounds generated by photocatalytic degradation of 4-nitrophenol had higher toxicity than the parent compound. A repeated degradation process was necessary to render complete degradation and non-toxicity to the zebrafish embryos. Our results demonstrated the importance of evaluating the photocatalytic degradation efficiency in conjunction with the toxicity assessment of the degradation compounds.

  17. Measurements of Ay(θ) for 12C(n,n)12C from En=2.2 to 8.5 MeV

    International Nuclear Information System (INIS)

    Roper, C.D.; Tornow, W.; Braun, R.T.; Chen, Q.; Crowell, A.; Trotter, D. Gonzalez; Howell, C.R.; Salinas, F.; Setze, R.; Walter, R.L.; Chen Zemin; Tang Hongqing; Zhou Zuying

    2005-01-01

    The analyzing power A y (θ) for neutron elastic scattering from 12 C has been measured for 33 neutron energies between E n =2.2 and 8.5 MeV in the angular range from 25 deg. to 145 deg. in the laboratory system. The primary motivation for these measurements is the need for an accurate knowledge of A y (θ) for 12 C(n,n) 12 C elastic scattering to enable corrections to high-precision neutron-proton and neutron-deuteron A y (θ) data in the neutron-energy range below E n =30 MeV. In their own right, 12 C(n,n) 12 C A y (θ) data are of crucial importance for improving both the parametrization of n- 12 C scattering and our knowledge of the level scheme of 13 C. The present A y (θ) data are compared with published data and previous phase-shift-analysis results

  18. Hydrogen Bonds and Life in the Universe

    Directory of Open Access Journals (Sweden)

    Giovanni Vladilo

    2018-01-01

    Full Text Available The scientific community is allocating more and more resources to space missions and astronomical observations dedicated to the search for life beyond Earth. This experimental endeavor needs to be backed by a theoretical framework aimed at defining universal criteria for the existence of life. With this aim in mind, we have explored which chemical and physical properties should be expected for life possibly different from the terrestrial one, but similarly sustained by genetic and catalytic molecules. We show that functional molecules performing genetic and catalytic tasks must feature a hierarchy of chemical interactions operating in distinct energy bands. Of all known chemical bonds and forces, only hydrogen bonds are able to mediate the directional interactions of lower energy that are needed for the operation of genetic and catalytic tasks. For this reason and because of the unique quantum properties of hydrogen bonding, the functional molecules involved in life processes are predicted to have extensive hydrogen-bonding capabilities. A molecular medium generating a hydrogen-bond network is probably essential to support the activity of the functional molecules. These hydrogen-bond requirements constrain the viability of hypothetical biochemistries alternative to the terrestrial one, provide thermal limits to life molecular processes, and offer a conceptual framework to define a transition from a “covalent-bond stage” to a “hydrogen-bond stage” in prebiotic chemistry.

  19. 40 CFR 280.98 - Surety bond.

    Science.gov (United States)

    2010-07-01

    ...: Performance Bond Date bond executed: Period of coverage: Principal: [legal name and business address of owner... “corporation”] State of incorporation (if applicable): Surety(ies): [name(s) and business address(es)] Scope of...) shall not be discharged by any payment or succession of payments hereunder, unless and until such...

  20. Hydrogen bond dynamics in bulk alcohols

    International Nuclear Information System (INIS)

    Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

    2015-01-01

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamics–quantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquid—alcohols—has attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups

  1. 78 FR 36029 - CDFI Bond Guarantee Program

    Science.gov (United States)

    2013-06-14

    ... the extent a Secondary Loan is financed on a corporate finance basis (i.e., through a Credit... Issue. Bonds will be used to finance Bond Loans to Eligible CDFIs for Eligible Purposes for a period not... financial strength, stability, durability and liquidity as reflected in its corporate credit ratings and...

  2. Index Driven Price Pressure in Corporate Bonds

    DEFF Research Database (Denmark)

    Dick-Nielsen, Jens

    Inclusion and exclusion of bonds from major indices are information-free, monthly events. At these events, liquidity providers get a significant abnormal return by trading against index trackers. The return is highest for bonds that are excluded because of a recent downgrade with a one-day return...

  3. Sol-gel bonding of silicon wafers

    International Nuclear Information System (INIS)

    Barbe, C.J.; Cassidy, D.J.; Triani, G.; Latella, B.A.; Mitchell, D.R.G.; Finnie, K.S.; Bartlett, J.R.; Woolfrey, J.L.; Collins, G.A.

    2005-01-01

    Low temperature bonding of silicon wafers was achieved using sol-gel technology. The initial sol-gel chemistry of the coating solution was found to influence the mechanical properties of the resulting bonds. More precisely, the influence of parameters such as the alkoxide concentration, water-to-alkoxide molar ratio, pH, and solution aging on the final bond morphologies and interfacial fracture energy was studied. The thickness and density of the sol-gel coating were characterised using ellipsometry. The corresponding bonded specimens were investigated using attenuated total reflectance Fourier transformed infrared spectroscopy to monitor their chemical composition, infrared imaging to control bond integrity, and cross-sectional transmission electron microscopy to study their microstructure. Their interfacial fracture energy was measured using microindentation. An optimum water-to-alkoxide molar ratio of 10 and hydrolysis water at pH = 2 were found. Such conditions led to relatively dense films (> 90%), resulting in bonds with a fracture energy of 3.5 J/m 2 , significantly higher than those obtained using classical hydrophilic bonding (typically 1.5-2.5 J/m 2 ). Ageing of the coating solution was found to decrease the bond strength

  4. Theoretical Characterization of Hydrogen Bonding Interactions ...

    Indian Academy of Sciences (India)

    The highest stabilization results in case of (H2N)CHO as hydrogen bond acceptor. The variation of the substituents at –OH functional group also influences the strength of hydrogen bond; nearly all the substituents increase the stabilization energy relative to HOH. The analysis of geometrical parameters; proton affinities, ...

  5. Expected Business Conditions and Bond Risk Premia

    DEFF Research Database (Denmark)

    Eriksen, Jonas Nygaard

    2017-01-01

    In this article, I study the predictability of bond risk premia by means of expectations to future business conditions using survey forecasts from the Survey of Professional Forecasters. I show that expected business conditions consistently affect excess bond returns and that the inclusion of exp...

  6. Nondestructive testing of thermocompression bonds. Final report

    International Nuclear Information System (INIS)

    Hale, G.M.

    1981-02-01

    A Scanning Laser Acoustic Microscope (SLAM) was used to characterize hybrid microcircuit beam lead bonds formed on thin film networks by a thermocompression process. Results from subsequent pull testing show that the SLAM offered no significant advantage over visual inspection for detecting bad bonds. Infrared microscopy and resistance measurements were also reviewed and rejected as being ineffective inspection methods

  7. 46 CFR 540.6 - Surety bonds.

    Science.gov (United States)

    2010-10-01

    ... transportation. The requirements of Form FMC-132A, however, may be amended by the Commission in a particular case for good cause. (b) In the case of a surety bond which is to cover all passenger operations of the... shall be issued by a bonding company authorized to do business in the United States and acceptable to...

  8. Hydrogen Bonds and Life in the Universe

    Science.gov (United States)

    2018-01-01

    The scientific community is allocating more and more resources to space missions and astronomical observations dedicated to the search for life beyond Earth. This experimental endeavor needs to be backed by a theoretical framework aimed at defining universal criteria for the existence of life. With this aim in mind, we have explored which chemical and physical properties should be expected for life possibly different from the terrestrial one, but similarly sustained by genetic and catalytic molecules. We show that functional molecules performing genetic and catalytic tasks must feature a hierarchy of chemical interactions operating in distinct energy bands. Of all known chemical bonds and forces, only hydrogen bonds are able to mediate the directional interactions of lower energy that are needed for the operation of genetic and catalytic tasks. For this reason and because of the unique quantum properties of hydrogen bonding, the functional molecules involved in life processes are predicted to have extensive hydrogen-bonding capabilities. A molecular medium generating a hydrogen-bond network is probably essential to support the activity of the functional molecules. These hydrogen-bond requirements constrain the viability of hypothetical biochemistries alternative to the terrestrial one, provide thermal limits to life molecular processes, and offer a conceptual framework to define a transition from a “covalent-bond stage” to a “hydrogen-bond stage” in prebiotic chemistry. PMID:29301382

  9. Hydrogen bond dynamics in bulk alcohols.

    Science.gov (United States)

    Shinokita, Keisuke; Cunha, Ana V; Jansen, Thomas L C; Pshenichnikov, Maxim S

    2015-06-07

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamics-quantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquid--alcohols--has attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

  10. Sol-gel bonding of silicon wafers

    International Nuclear Information System (INIS)

    Barbe, C.J.; Cassidy, D.J.; Triani, G.; Latella, B.A.; Mitchell, D.R.G.; Finnie, K.S.; Short, K.; Bartlett, J.R.; Woolfrey, J.L.; Collins, G.A.

    2005-01-01

    Sol-gel bonds have been produced between smooth, clean silicon substrates by spin-coating solutions containing partially hydrolysed silicon alkoxides. The two coated substrates were assembled and the resulting sandwich fired at temperatures ranging from 60 to 600 deg. C. The sol-gel coatings were characterised using attenuated total reflectance Fourier transform infrared spectroscopy, ellipsometry, and atomic force microscopy, while the corresponding bonded specimens were investigated using scanning electron microscopy and cross-sectional transmission electron microscopy. Mechanical properties were characterised using both microindentation and tensile testing. Bonding of silicon wafers has been successfully achieved at temperatures as low as 60 deg. C. At 300 deg. C, the interfacial fracture energy was 1.55 J/m 2 . At 600 deg. C, sol-gel bonding provided superior interfacial fracture energy over classical hydrophilic bonding (3.4 J/m 2 vs. 1.5 J/m 2 ). The increase in the interfacial fracture energy is related to the increase in film density due to the sintering of the sol-gel interface with increasing temperature. The superior interfacial fracture energy obtained by sol-gel bonding at low temperature is due to the formation of an interfacial layer, which chemically bonds the two sol-gel coatings on each wafer. Application of a tensile stress on the resulting bond leads to fracture of the samples at the silicon/sol-gel interface

  11. 76 FR 38577 - Bond Guarantee Program

    Science.gov (United States)

    2011-07-01

    ... notes or bonds, including the principal, interest, and call premiums not to exceed 30 years, issued by CDFIs to finance loans for eligible community or economic development purposes. The bonds or notes will... accordance with Federal credit policy, moreover, the Federal Financing Bank (FFB), a body corporate and...

  12. Hydrogen Bonds and Life in the Universe.

    Science.gov (United States)

    Vladilo, Giovanni; Hassanali, Ali

    2018-01-03

    The scientific community is allocating more and more resources to space missions and astronomical observations dedicated to the search for life beyond Earth. This experimental endeavor needs to be backed by a theoretical framework aimed at defining universal criteria for the existence of life. With this aim in mind, we have explored which chemical and physical properties should be expected for life possibly different from the terrestrial one, but similarly sustained by genetic and catalytic molecules. We show that functional molecules performing genetic and catalytic tasks must feature a hierarchy of chemical interactions operating in distinct energy bands. Of all known chemical bonds and forces, only hydrogen bonds are able to mediate the directional interactions of lower energy that are needed for the operation of genetic and catalytic tasks. For this reason and because of the unique quantum properties of hydrogen bonding, the functional molecules involved in life processes are predicted to have extensive hydrogen-bonding capabilities. A molecular medium generating a hydrogen-bond network is probably essential to support the activity of the functional molecules. These hydrogen-bond requirements constrain the viability of hypothetical biochemistries alternative to the terrestrial one, provide thermal limits to life molecular processes, and offer a conceptual framework to define a transition from a "covalent-bond stage" to a "hydrogen-bond stage" in prebiotic chemistry.

  13. Fusion bonding of silicon nitride surfaces

    DEFF Research Database (Denmark)

    Reck, Kasper; Østergaard, Christian; Thomsen, Erik Vilain

    2011-01-01

    While silicon nitride surfaces are widely used in many micro electrical mechanical system devices, e.g. for chemical passivation, electrical isolation or environmental protection, studies on fusion bonding of two silicon nitride surfaces (Si3N4–Si3N4 bonding) are very few and highly application...

  14. ROLE OF DIASPORA BONDS IN DEVELOPING COUNTRIES

    Directory of Open Access Journals (Sweden)

    Y. Bunyk

    2015-08-01

    Full Text Available The article deals with the problem of the bond issue for the Diaspora as a source of financing of the national economy and a factor of development. We reveal the following factors driving demand in the diaspora bond market: targeting at a project, channels, audience and marketing. The paper shows international experience to attract migrants’ savings and use them to issue bonds. Investors consider diaspora bonds because: firstly, people who have disposable income, who can commit that income or that excess income to a long term investment should look at diaspora bonds: secondly, people who really want to participate in transforming the home country should look at diaspora bond specifically diaspora bonds related to projects: and last but not least, if there are incentives around diaspora bonds for example whether there’s tax incentive and other kinds of incentive, that also should be taken into account. Also we disclosed the possibility of using this type of securities in Ukraine and its expedience.

  15. Linking annual N2O emission in organic soils to mineral nitrogen input as estimated by heterotrophic respiration and soil C/N ratio.

    Science.gov (United States)

    Mu, Zhijian; Huang, Aiying; Ni, Jiupai; Xie, Deti

    2014-01-01

    Organic soils are an important source of N2O, but global estimates of these fluxes remain uncertain because measurements are sparse. We tested the hypothesis that N2O fluxes can be predicted from estimates of mineral nitrogen input, calculated from readily-available measurements of CO2 flux and soil C/N ratio. From studies of organic soils throughout the world, we compiled a data set of annual CO2 and N2O fluxes which were measured concurrently. The input of soil mineral nitrogen in these studies was estimated from applied fertilizer nitrogen and organic nitrogen mineralization. The latter was calculated by dividing the rate of soil heterotrophic respiration by soil C/N ratio. This index of mineral nitrogen input explained up to 69% of the overall variability of N2O fluxes, whereas CO2 flux or soil C/N ratio alone explained only 49% and 36% of the variability, respectively. Including water table level in the model, along with mineral nitrogen input, further improved the model with the explanatory proportion of variability in N2O flux increasing to 75%. Unlike grassland or cropland soils, forest soils were evidently nitrogen-limited, so water table level had no significant effect on N2O flux. Our proposed approach, which uses the product of soil-derived CO2 flux and the inverse of soil C/N ratio as a proxy for nitrogen mineralization, shows promise for estimating regional or global N2O fluxes from organic soils, although some further enhancements may be warranted.

  16. The role of C:N:P stoichiometry in affecting denitrification in sediments from agricultural surface and tile-water wetlands.

    Science.gov (United States)

    Grebliunas, Brian D; Perry, William L

    2016-01-01

    Nutrient stoichiometry within a wetland is affected by the surrounding land use, and may play a significant role in the removal of nitrate (NO3-N). Tile-drained, agricultural watersheds experience high seasonal inputs of NO3-N, but low phosphorus (PO4-P) and dissolved organic carbon (DOC) loads relative to surface water dominated systems. This difference may present stoichiometric conditions that limit denitrification within receiving waterways. We investigated how C:N:P ratios affected denitrification rates of sediments from tile-drained mitigation wetlands incubated for: 0, 5, 10, and 20 days. We then tested whether denitrification rates of sediments from surface-water and tile-drained wetlands responded differently to C:N ratios of 2:1 versus 4:1. Ratios of C:N:P (P tile-drained wetland sediments. Carbon limitation of denitrification became evident at elevated NO3-N concentrations (20 mg L(-1)). Denitrification measured from tile water and surface water wetland sediments increased significantly (P < 0.05) at the 2:1 and 4:1 C:N treatments. The results from both experiments suggest wetland sediments provide a limiting pool of labile DOC to maintain prolonged NO3-N removal. Also, DOC limitation became more evident at elevated NO3-N concentrations (20 mg L(-1)). Irrespective of NO3-N concentrations, P did not limit denitrification rates. In addition to wetting period, residence time, and maintenance of anaerobic conditions, the availability of labile DOC is playing an important limiting role in sediment denitrification within mitigation wetlands.

  17. Mechanical and tribological properties of polymer-derived Si/C/N sub-millimetre thick miniaturized components fabricated by direct casting

    OpenAIRE

    Bakumov Vadym; Blugan Gurdial; Roos Sigfried; Graule Thomas J.; Fakhfouri Vahid; Grossenbacher Jonas; Gullo Maurizio Rosario; Kiefer Thomas C.; Brugger Juergen; Parlinska Magdalena; Kuebler Jakob

    2012-01-01

    The utilization of silicon based polymers as a source of amorphous non oxide ceramics obtained upon pyrolytic treatment of them is increasingly gaining attention in research and is currently expanding into the field of commercial products. This work is focused on the near net shaped fabrication mechanical and tribological properties of a polymer derived Si/C/N system. Small sub millimetre thick ceramic test discs and bars were fabricated by casting of polysilazane and/or polycarbosilane precu...

  18. Influences of micro-geomorphology on the stoichiometry of C, N and P in Chenier Island soils and plants in the Yellow River Delta, China.

    Science.gov (United States)

    Qu, Fanzhu; Meng, Ling; Yu, Junbao; Liu, Jingtao; Sun, Jingkuan; Yang, Hongjun; Dong, Linshui

    2017-01-01

    Studies have indicated that consistent or well-constrained (relatively low variability) carbon:nitrogen:phosphorus (C:N:P) ratios exist in large-scale ecosystems, including both marine and terrestrial ecosystems. Little is known about the C, N and P stoichiometric ratios that exist in the soils and plants of Chenier Island in the Yellow River Delta (YRD). We examined the distribution patterns and relationships of C, N and P stoichiometry in the soils and plants of Chenier Island, as well as the potential influences of the island's micro-geomorphology. Based on a study of four soil profile categories and Phragmites australis and Suaeda heteroptera plant tissues, our results showed that micro-geomorphology could leave a distinct imprint on the soil and plant elemental stoichiometry of Chenier Island; significant variation in the atomic C:N:P ratios (RCNP) existed in soils and plants, indicating that the RCNP values in both the soil and plants are not well constrained at the Chenier Island scale. RCN and RCP in Chenier Island soils were high, whereas the RNP values were comparatively low, indicating that the ecosystems of Chenier Island are nutrient-limited by N and P. However, the RNP values in P. australis and S. heteroptera plant tissues were high, suggesting that the plants of Chenier Island are nutrient-limited by P. Finally, we suggest that soil and plant N:P ratios may be good indicators of the soil and plant nutrient status during soil development and plant growth, which could be a useful reference for restoring the degraded soils of Chenier Island.

  19. Magnetron sputtered Hf-B-Si-C-N films with controlled electrical conductivity and optical transparency, and with ultrahigh oxidation resistance

    Czech Academy of Sciences Publication Activity Database

    Šímová, V.; Vlček, J.; Zuzjaková, Š.; Houška, J.; Shen, Y.; Jiang, J. C.; Meletis, E. I.; Peřina, Vratislav

    2018-01-01

    Roč. 653, č. 5 (2018), s. 333-340 ISSN 0040-6090 R&D Projects: GA MŠk LM2015056 Institutional support: RVO:61389005 Keywords : Hf-B-Si-C-N films * pulsed reactive magnetron sputtering * electrical conductivitiy * optical transparency * high-temperature oxidation resistance Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders OBOR OECD: Nuclear physics Impact factor: 1.879, year: 2016

  20. Metal-organic framework derived Fe/Fe3C@N-doped-carbon porous hierarchical polyhedrons as bifunctional electrocatalysts for hydrogen evolution and oxygen-reduction reactions.

    Science.gov (United States)

    Song, Chunsen; Wu, Shikui; Shen, Xiaoping; Miao, Xuli; Ji, Zhenyuan; Yuan, Aihua; Xu, Keqiang; Liu, Miaomiao; Xie, Xulan; Kong, Lirong; Zhu, Guoxing; Ali Shah, Sayyar

    2018-08-15

    The development of simple and cost-effective synthesis methods for electrocatalysts of hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR) is critical to renewable energy technologies. Herein, we report an interesting bifunctional HER and ORR electrocatalyst of Fe/Fe 3 C@N-doped-carbon porous hierarchical polyhedrons (Fe/Fe 3 C@N-C) by a simple metal-organic framework precursor route. The Fe/Fe 3 C@N-C polyhedrons consisting of Fe and Fe 3 C nanocrystals enveloped by N-doped carbon shells and accompanying with some carbon nanotubes on the surface were prepared by thermal annealing of Zn 3 [Fe(CN) 6 ] 2 ·xH 2 O polyhedral particles in nitrogen atmosphere. This material exhibits a large specific surface area of 182.5 m 2  g -1 and excellent ferromagnetic property. Electrochemical tests indicate that the Fe/Fe 3 C@N-C hybrid has apparent HER activity with a relatively low overpotential of 236 mV at the current density of 10 mA cm -2 and a small Tafel slope of 59.6 mV decade -1 . Meanwhile, this material exhibits excellent catalytic activity toward ORR with an onset potential (0.936 V vs. RHE) and half-wave potential (0.804 V vs. RHE) in 0.1 M KOH, which is comparable to commercial 20 wt% Pt/C (0.975 V and 0.820 V), and shows even better stability than the Pt/C. This work provides a new insight to developing multi-functional materials for renewable energy application. Copyright © 2018 Elsevier Inc. All rights reserved.

  1. Measurement of the /sup 12/C(n,γ0)/sup 13/C cross section in the giant dipole resonance region

    International Nuclear Information System (INIS)

    August, R.A.; Weller, H.R.; Tilley, D.R.

    1987-01-01

    The /sup 12/C(n,γ 0 ) /sup 13/C excitation function at 90 0 has been measured for neutron energies from 6.5 to 18.5 MeV. Whereas previous measurements disagreed at the lower energies with a direct-semidirect capture calculation based on /sup 12/C(p,γ 0 ) /sup 13/N data, the present results, especially when the uncertainty in absolute cross section is considered, indicate reasonable qualitative agreement with the calculation

  2. Green and social bonds - A promising tool

    International Nuclear Information System (INIS)

    Blanc, Dominique; Barochez, Aurelie de; Cozic, Aela

    2013-11-01

    Issues of green bonds, socially responsible bonds and climate bonds are on the rise. Novethic estimates that some Euro 5 billion in such bonds has been issued since the start of 2013 by development banks, the main issuers of this type of debt. The figure is equal to over half of their total issues since 2007. Including local authorities, corporations and banks, a total Euro 8 billion of these bonds has been issued thus far in 2013. Given the size of the bond market, which the OECD estimated at Euro 95,000 billion in 2011, green and social bonds are still something of a niche but have strong growth potential. A number of large issues, from Euro 500 million to Euro 1 billion, were announced at the end of the year. Unlike conventional bonds, green and social bonds are not intended to finance all the activities of the issuer or refinance its debt. They serve instead to finance specific projects, such as producing renewable energy or adapting to climate change, the risk of which is shouldered by the issuer. This makes them an innovative instrument, used to earmark investments in projects with a direct environmental or social benefit rather than simply on the basis of the issuer's sustainable development policy. With financing being sought for the ecological transition, green and social bonds are promising instruments, sketching out at global level the shape of tools adapted to the financing of a green economy. On the strength of these advantages, the interest of responsible investors - the main target of green and social bond issuers - is growing fast. Judging by issuer press releases and the most commonly used currencies, the main subscribers today are US investors, among them CalSTRS and fund managers like Calvert Investment Management and Trillium Asset Management. European asset owners are also starting to focus on green and social bonds. A Novethic survey shows that 13% of them have already subscribed to such an issue or plan to do so. The present study

  3. Mechanics of wafer bonding: Effect of clamping

    Science.gov (United States)

    Turner, K. T.; Thouless, M. D.; Spearing, S. M.

    2004-01-01

    A mechanics-based model is developed to examine the effects of clamping during wafer bonding processes. The model provides closed-form expressions that relate the initial geometry and elastic properties of the wafers to the final shape of the bonded pair and the strain energy release rate at the interface for two different clamping configurations. The results demonstrate that the curvature of bonded pairs may be controlled through the use of specific clamping arrangements during the bonding process. Furthermore, it is demonstrated that the strain energy release rate depends on the clamping configuration and that using applied loads usually leads to an undesirable increase in the strain energy release rate. The results are discussed in detail and implications for process development and bonding tool design are highlighted.

  4. Diffusion bonding in compact heat exchangers

    International Nuclear Information System (INIS)

    Southall, David

    2009-01-01

    Heatric's diffusion bonding process is a solid-state joining technology that produces strong, compact, all-metal heat exchanger cores. Diffusion bonding allows for a large quantity of joints to be made in geometries that would normally be inaccessible for conventional welding techniques. Since Heatric's diffusion bonding process uses no interlayer or braze alloy, the resulting heat exchanger core has consistent chemistry throughout and, under carefully controlled conditions, a return to parent metal strength can be reached. This paper will provide an overview of the diffusion bonding process and its origins, and also its application to compact heat exchanger construction. The paper will then discuss recent work that has been done to compare mechanical properties of Heatric's diffusion bonded material with material that has been conventionally welded, as well as with material tested in the as-received condition. (author)

  5. 1 mil gold bond wire study.

    Energy Technology Data Exchange (ETDEWEB)

    Huff, Johnathon; McLean, Michael B.; Jenkins, Mark W.; Rutherford, Brian Milne

    2013-05-01

    In microcircuit fabrication, the diameter and length of a bond wire have been shown to both affect the current versus fusing time ratio of a bond wire as well as the gap length of the fused wire. This study investigated the impact of current level on the time-to-open and gap length of 1 mil by 60 mil gold bond wires. During the experiments, constant current was provided for a control set of bond wires for 250ms, 410ms and until the wire fused; non-destructively pull-tested wires for 250ms; and notched wires. The key findings were that as the current increases, the gap length increases and 73% of the bond wires will fuse at 1.8A, and 100% of the wires fuse at 1.9A within 60ms. Due to the limited scope of experiments and limited data analyzed, further investigation is encouraged to confirm these observations.

  6. Bonded exciplex formation: electronic and stereoelectronic effects.

    Science.gov (United States)

    Wang, Yingsheng; Haze, Olesya; Dinnocenzo, Joseph P; Farid, Samir; Farid, Ramy S; Gould, Ian R

    2008-12-18

    As recently proposed, the singlet-excited states of several cyanoaromatics react with pyridine via bonded-exciplex formation, a novel concept in photochemical charge transfer reactions. Presented here are electronic and steric effects on the quenching rate constants, which provide valuable support for the model. Additionally, excited-state quenching in poly(vinylpyridine) is strongly inhibited both relative to that in neat pyridine and also to conventional exciplex formation in polymers, consistent with a restrictive orientational requirement for the formation of bonded exciplexes. Examples of competing reactions to form both conventional and bonded exciplexes are presented, which illustrate the delicate balance between these two processes when their reaction energetics are similar. Experimental and computational evidence is provided for the formation of a bonded exciplex in the reaction of the singlet excited state of 2,6,9,10-tetracyanoanthracene (TCA) with an oxygen-substituted donor, dioxane, thus expanding the scope of bonded exciplexes.

  7. Synthesis and characterization of a new material based on porous silica-Chemically immobilized C,N-pyridylpyrazole for heavy metals adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Radi, Smaail [Laboratoire de Chimie Organique, Macromoleculaire et Produits Naturels, Departement de Chimie, Faculte des Sciences, Universite Mohamed 1er, BP 524, 60 000 Oujda (Morocco)], E-mail: radi_smaail@yahoo.fr; Attayibat, Ahmed [Laboratoire de Chimie Organique, Macromoleculaire et Produits Naturels, Departement de Chimie, Faculte des Sciences, Universite Mohamed 1er, BP 524, 60 000 Oujda (Morocco); Lekchiri, Yahya [Laboratoire de Biochimie, Departement de Biologie, Faculte des Sciences, Universite Mohamed 1er, BP 524, 60 000 Oujda (Morocco); Ramdani, Abdelkrim [Laboratoire de Chimie Organique, Macromoleculaire et Produits Naturels, Departement de Chimie, Faculte des Sciences, Universite Mohamed 1er, BP 524, 60 000 Oujda (Morocco); Bacquet, Maryse [Laboratoire de Chimie Macromoleculaire, Universite des Sciences et Technologies de Lille, 59655 Villeneuve d' Ascq (France)

    2008-10-15

    The immobilization of C,N-pyridylpyrazole on the surface of epoxy group containing silica gel phase for the formation of a newly synthesized material based on porous silica-bound C,N-pyridylpyrazole (SGPP) is described. The surface modification was characterized by {sup 13}C NMR of solid sample, elemental analysis and infrared spectra and was studied and evaluated by determination of the surface area using the BET equation, the adsorption and desorption capability using the isotherm of nitrogen and BJH pore sizes, respectively. The new material exhibits good thermal stability determined by thermogravimetry curves. The synthesized material was utilised in column and batch methods for separation and trace extraction of (Hg{sup 2+}, Cd{sup 2+}, Pb{sup 2+}, Cu{sup 2+}, Zn{sup 2+}, K{sup +}, Na{sup +} and Li{sup +}) and compared to results of classical liquid-liquid extraction with the unbound C,N-pyridylpyrazole compound. The grafting at the surface of silica does not affect complexing properties of the ligand and the material exhibits a high selectivity toward Hg(II)

  8. Carbon Nanotubes Filled with Different Ferromagnetic Alloys Affect the Growth and Development of Rice Seedlings by Changing the C:N Ratio and Plant Hormones Concentrations.

    Science.gov (United States)

    Hao, Yi; Yu, Feifan; Lv, Ruitao; Ma, Chuanxin; Zhang, Zetian; Rui, Yukui; Liu, Liming; Cao, Weidong; Xing, Baoshan

    2016-01-01

    The aim of this study was to investigate the phytotoxicity of thin-walled carbon nanotubes (CNTs) to rice (Oryza sativa L.) seedlings. Three different CNTs, including hollow multi-walled carbon nanotubes (MWCNTs), Fe-filled carbon nanotubes (Fe-CNTs), and Fe-Co-filled carbon nanotubes (FeCo-CNTs), were evaluated. The CNTs significantly inhibited rice growth by decreasing the concentrations of endogenous plant hormones. The carbon to nitrogen ratio (C:N ratio) significantly increased in rice roots after treatments with CNTs, and all three types of CNTs had the same effects on the C:N ratio. Interestingly, the increase in the C:N ratio in roots was largely because of decreased N content, indicating that the CNTs significantly decreased N assimilation. Analyses of the Fe and Co contents in plant tissues, transmission electron microscope (TEM) observations and energy dispersive X-ray spectroscopy (EDS) analysis proved that the CNTs could penetrate the cell wall and the cell membrane, and then enter the root cells. According to the author's knowledge, this is the first time to study the relationship between carbon nanotubes and carbon nitrogen ratio and plant hormones.

  9. First principles prediction of the magnetic properties of Fe-X6 (X = S, C, N, O, F) doped monolayer MoS2

    KAUST Repository

    Feng, Nan

    2014-02-05

    Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X 6 clusters (X = S, C, N, O, and F) incorporated in 4 4 monolayer MoS 2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F 6 substituions make the system display half-metallic properties, Fe-C 6 and Fe-N 6 substitutions lead to a spin gapless semiconducting behavior, and Fe-O 6 doped monolayer MoS 2 is semiconducting. Magnetic moments of 1.93, 1.45, 3.18, 2.08, and 2.21...? B are obtained for X = S, C, N, O, and F, respectively. The different electronic and magnetic characters originate from hybridization between the X and Fe/Mo atoms. Our results suggest that cluster doping can be an efficient strategy for exploring two-dimensional diluted magnetic semiconductors.

  10. Effects of taxonomy, sediment, and water column on C:N:P stoichiometry of submerged macrophytes in Yangtze floodplain shallow lakes, China.

    Science.gov (United States)

    Su, Haojie; Wu, Yao; Xie, Ping; Chen, Jun; Cao, Te; Xia, Wulai

    2016-11-01

    Carbon (C), nitrogen (N) and phosphorus (P) are the three most important essential elements limiting growth of primary producers. Submerged macrophytes generally absorb nutrients from sediments by root uptake. However, the C:N:P stoichiometric signatures of plant tissue are affected by many additional factors such as taxonomy, nutrient availability, and light availability. We first revealed the relative importance of taxonomy, sediment, and water column on plant C:N:P stoichiometry using variance partitioning based on partial redundancy analyses. Results showed that taxonomy was the most important factor in determining C:N:P stoichiometry, then the water column and finally the sediment. In this study, a significant positive relationship was found between community C concentration and macrophyte community biomass, indicating that the local low C availability in macrophytes probably was the main reason why submerged macrophytes declined in Yangtze floodplain shallow lakes. Based on our study, it is suggested that submerged macrophytes in Yangtze floodplain shallow lakes are primarily limited by low light levels rather than nutrient availability.

  11. First principles prediction of the magnetic properties of Fe-X6 (X = S, C, N, O, F) doped monolayer MoS2

    KAUST Repository

    Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlö gl, Udo; Bai, Haili

    2014-01-01

    Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X 6 clusters (X = S, C, N, O, and F) incorporated in 4 4 monolayer MoS 2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F 6 substituions make the system display half-metallic properties, Fe-C 6 and Fe-N 6 substitutions lead to a spin gapless semiconducting behavior, and Fe-O 6 doped monolayer MoS 2 is semiconducting. Magnetic moments of 1.93, 1.45, 3.18, 2.08, and 2.21...? B are obtained for X = S, C, N, O, and F, respectively. The different electronic and magnetic characters originate from hybridization between the X and Fe/Mo atoms. Our results suggest that cluster doping can be an efficient strategy for exploring two-dimensional diluted magnetic semiconductors.

  12. Toward structural dynamics: protein motions viewed by chemical shift modulations and direct detection of C'N multiple-quantum relaxation.

    Science.gov (United States)

    Mori, Mirko; Kateb, Fatiha; Bodenhausen, Geoffrey; Piccioli, Mario; Abergel, Daniel

    2010-03-17

    Multiple quantum relaxation in proteins reveals unexpected relationships between correlated or anti-correlated conformational backbone dynamics in alpha-helices or beta-sheets. The contributions of conformational exchange to the relaxation rates of C'N coherences (i.e., double- and zero-quantum coherences involving backbone carbonyl (13)C' and neighboring amide (15)N nuclei) depend on the kinetics of slow exchange processes, as well as on the populations of the conformations and chemical shift differences of (13)C' and (15)N nuclei. The relaxation rates of C'N coherences, which reflect concerted fluctuations due to slow chemical shift modulations (CSMs), were determined by direct (13)C detection in diamagnetic and paramagnetic proteins. In well-folded proteins such as lanthanide-substituted calbindin (CaLnCb), copper,zinc superoxide dismutase (Cu,Zn SOD), and matrix metalloproteinase (MMP12), slow conformational exchange occurs along the entire backbone. Our observations demonstrate that relaxation rates of C'N coherences arising from slow backbone dynamics have positive signs (characteristic of correlated fluctuations) in beta-sheets and negative signs (characteristic of anti-correlated fluctuations) in alpha-helices. This extends the prospects of structure-dynamics relationships to slow time scales that are relevant for protein function and enzymatic activity.

  13. DETAILED ABUNDANCES OF RED GIANTS IN THE GLOBULAR CLUSTER NGC 1851: C+N+O AND THE ORIGIN OF MULTIPLE POPULATIONS

    International Nuclear Information System (INIS)

    Villanova, S.; Geisler, D.; Piotto, G.

    2010-01-01

    We present chemical abundance analysis of a sample of 15 red giant branch (RGB) stars of the globular cluster NGC 1851 distributed along the two RGBs of the (v, v-y) color-magnitude diagram. We determined abundances for C+N+O, Na, α, iron-peak, and s-elements. We found that the two RGB populations significantly differ in their light (N, O, Na) and s-element content. On the other hand, they do not show any significant difference in their α and iron-peak element content. More importantly, the two RGB populations do not show any significant difference in their total C+N+O content. Our results do not support previous hypotheses suggesting that the origins of the two RGBs and the two subgiant branches of the cluster are related to different content of either α (including Ca) or iron-peak elements, or C+N+O abundance, due to a second generation polluted by Type II supernovae.

  14. corrosion and wear resistant ternary Cr-C-N coatings deposited by the ARC PVD process for machining tools and machining parts

    International Nuclear Information System (INIS)

    Knotek, O.; Lugscheider, E.; Zimmermann, H.; Bobzin, K.

    1997-01-01

    With the deposition of PVD hard coatings on the tools applied in machining operations it is possible to achieve significant improvements in the performance and quality of the machining processes. Depending on the machined material and the operating principle, e.g. turning, milling or drilling, not only different machining parameters but also different coating materials are necessary. In interrupted cut machining of tempered steel, for example, the life time of Ti-C-N coated inserts is several times greater than the Ti-C-N coated ones. This is a result of the favourable thermophysical and tribological properties of Ti-N-C. The potential for tool protection by CrN coatings is a result of the high ductility and low internal stress of this coating materials. CrN films can be deposited with greater film thickness, still maintaining very good adhesion. This paper presents the development of new arc PVD coatings in the system Cr-C-N. Owing to the carbon content in the coating an increased hardness and a better wear behavior in comparison to CrN was expected. The effects of various carbon carrier gases on the coating properties were examined. The coating properties were investigated by mechanical tests. X-ray diffraction, SEM analysis and corrosion tests. Some of the coatings were tested in machining tests. The results of these tests are presented in this paper. (author)

  15. Cauliflower-like MnO@C/N composites with multiscale, expanded hierarchical ordered structures as electrode materials for Lithium- and Sodium-ion batteries

    International Nuclear Information System (INIS)

    Chen, Ting; Wu, Zhenguo; Xiang, Wei; Wang, Enhui; Chen, Tingru; Guo, Xiaodong; Chen, Yanxiao; Zhong, Benhe

    2017-01-01

    MnO@C/N composite with expanded cauliflower-like morphology was prepared via one-pot L-tryptophan assisted hydrothermal method following by annealing in Ar atmosphere. The cauliflower structure was assembled by porous nanowires that composed of MnO nanoparticles wrapped by continuous N-doped amorphous carbon matrix. Superior electrochemical performances were obtained in both lithium/sodium ion batteries. And the reaction kinetics of MnO@C/N in lithium/sodium ion batteries were analyzed and compared. More than 837 mAh g −1 could be retained after 300 cycles at 500 mA g −1 . And a high reversible capacity of 336 mAh g −1 at 5000 mA g −1 also demonstrate the excellent rate performance of MnO@C/N for LIBs. As to SIBs, 123 mAh g −1 could be maintained after 200 cycles at 100 mA g −1 . The superior performances could be attributed to the peculiar porous micro-nano structure and N-doped amorphous carbon coating. The reaction kinetics results revealed that the capacitive-controlled capacity would dominate of the electrochemical performance in SIBs and the diffusion-controlled capacity could play a more important role in LIBs, due to the atom weight and size of Na + is larger than Li + .

  16. Metal-Ligand Bonds of Second- and Third-Row d-Block Metals Characterized by Density Functional Theory

    Science.gov (United States)

    Jensen, Kasper P.

    2009-08-01

    This paper presents systematic data for 200 neutral diatomic molecules ML (M is a second- or third-row d-block metal and L = H, F, Cl, Br, I, C, N, O, S, or Se) computed with the density functionals TPSSh and BP86. With experimental structures and bond enthalpies available for many of these molecules, the computations first document the high accuracy of TPSSh, giving metal-ligand bond lengths with a mean absolute error of ˜0.01 Å for the second row and 0.03 Å for the third row. TPSSh provides metal-ligand bond enthalpies with mean absolute errors of 37 and 44 kJ/mol for the second- and third-row molecules, respectively. Pathological cases (e.g., HgC and HgN) have errors of up to 155 kJ/mol, more than thrice the mean (observed with both functionals). Importantly, the systematic error component is negligible as measured by a coefficient of the linear regression line of 0.99. Equally important, TPSSh provides uniform accuracy across all three rows of the d-block, which is unprecedented and due to the 10% exact exchange, which is close to optimal for the d-block as a whole. This work provides an accurate and systematic prediction of electronic ground-state spins, characteristic metal-ligand bond lengths, and bond enthalpies for many as yet uncharacterized diatomics, of interest to researchers in the field of second- and third-row d-block chemistry. We stress that the success of TPSSh cannot be naively extrapolated to other special situations such as, e.g., metal-metal bonds. The high accuracy of the procedure further implies that the effective core functions used to model relativistic effects are necessary and sufficient for obtaining accurate geometries and bond enthalpies of second- and third-row molecular systems.

  17. Hysteresis-free high-temperature precise bimorph actuators produced by direct bonding of lithium niobate wafers

    Energy Technology Data Exchange (ETDEWEB)

    Shur, V. Ya.; Baturin, I. S.; Mingaliev, E. A.; Zorikhin, D. V.; Udalov, A. R.; Greshnyakov, E. D. [Ferroelectric Laboratory, Institute of Natural Sciences, Ural Federal University, 51 Lenin Ave., 620000 Ekaterinburg (Russian Federation)

    2015-02-02

    The current paper presents a piezoelectric bimorph actuator produced by direct bonding of lithium niobate wafers with the mirrored Y and Z axes. Direct bonding technology allowed to fabricate bidomain plate with precise positioning of ideally flat domain boundary. By optimizing the cutting angle (128° Y-cut), the piezoelectric constant became as large as 27.3 pC/N. Investigation of voltage dependence of bending displacement confirmed that bimorph actuator has excellent linearity and hysteresis-free. Decrease of the applied voltage down to mV range showed the perfect linearity up to the sub-nm deflection amplitude. The frequency and temperature dependences of electromechanical transmission coefficient in wide temperature range (from 300 to 900 K) were investigated.

  18. PMMA to Polystyrene bonding for polymer based microfluidic systems

    KAUST Repository

    Fan, Yiqiang

    2013-03-29

    A thermal bonding technique for Poly (methylmethacrylate) (PMMA) to Polystyrene (PS) is presented in this paper. The PMMA to PS bonding was achieved using a thermocompression method, and the bonding strength was carefully characterized. The bonding temperature ranged from 110 to 125 C with a varying compression force, from 700 to 1,000 N (0.36-0.51 MPa). After the bonding process, two kinds of adhesion quantification methods were used to measure the bonding strength: the double cantilever beam method and the tensile stress method. The results show that the bonding strength increases with a rising bonding temperature and bonding force. The results also indicate that the bonding strength is independent of bonding time. A deep-UV surface treatment method was also provided in this paper to lower the bonding temperature and compression force. Finally, a PMMA to PS bonded microfluidic device was fabricated successfully. © 2013 Springer-Verlag Berlin Heidelberg.

  19. Predicting Bond Betas using Macro-Finance Variables

    DEFF Research Database (Denmark)

    Aslanidis, Nektarios; Christiansen, Charlotte; Cipollini, Andrea

    We conduct in-sample and out-of-sample forecasting using the new approach of combining explanatory variables through complete subset regressions (CSR). We predict bond CAPM betas and bond returns conditioning on various macro-fi…nance variables. We explore differences across long-term government ...... bonds, investment grade corporate bonds, and high-yield corporate bonds. The CSR method performs well in predicting bond betas, especially in-sample, and, mainly high-yield bond betas when the focus is out-of-sample. Bond returns are less predictable than bond betas....

  20. Evidence for Interfacial Halogen Bonding.

    Science.gov (United States)

    Swords, Wesley B; Simon, Sarah J C; Parlane, Fraser G L; Dean, Rebecca K; Kellett, Cameron W; Hu, Ke; Meyer, Gerald J; Berlinguette, Curtis P

    2016-05-10

    A homologous series of donor-π-acceptor dyes was synthesized, differing only in the identity of the halogen substituents about the triphenylamine (TPA; donor) portion of each molecule. Each Dye-X (X=F, Cl, Br, and I) was immobilized on a TiO2 surface to investigate how the halogen substituents affect the reaction between the light-induced charge-separated state, TiO2 (e(-) )/Dye-X(+) , with iodide in solution. Transient absorption spectroscopy showed progressively faster reactivity towards nucleophilic iodide with more polarizable halogen substituents: Dye-F < Dye-Cl < Dye-Br < Dye-I. Given that all other structural and electronic properties for the series are held at parity, with the exception of an increasingly larger electropositive σ-hole on the heavier halogens, the differences in dye regeneration kinetics for Dye-Cl, Dye-Br, and Dye-I are ascribed to the extent of halogen bonding with the nucleophilic solution species. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. 48 CFR 728.105-1 - Advance payment bonds.

    Science.gov (United States)

    2010-10-01

    ... GENERAL CONTRACTING REQUIREMENTS BONDS AND INSURANCE Bonds 728.105-1 Advance payment bonds. (a) Generally, advance payment bonds will not be required in connection with USAID contracts containing an advance... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Advance payment bonds. 728...

  2. 7 CFR 1780.95 - Public bidding on bonds.

    Science.gov (United States)

    2010-01-01

    ... public bidding. The Agency will not submit a bid at the advertised sale unless required by State law, nor... 7 Agriculture 12 2010-01-01 2010-01-01 false Public bidding on bonds. 1780.95 Section 1780.95... Bonds and Bond Transcript Documents for Public Body Applicants § 1780.95 Public bidding on bonds. Bonds...

  3. Bond-Slip Relationship for CFRP Sheets Externally Bonded to Concrete under Cyclic Loading.

    Science.gov (United States)

    Li, Ke; Cao, Shuangyin; Yang, Yue; Zhu, Juntao

    2018-02-26

    The objective of this paper was to explore the bond-slip relationship between carbon fiber-reinforced polymer (CFRP) sheets and concrete under cyclic loading through experimental and analytical approaches. Modified beam tests were performed in order to gain insight into the bond-slip relationship under static and cyclic loading. The test variables are the CFRP-to-concrete width ratio, and the bond length of the CFRP sheets. An analysis of the test results in this paper and existing test results indicated that the slope of the ascending segment of the bond-slip curve decreased with an increase in the number of load cycles, but the slip corresponding to the maximum shear stress was almost invariable as the number of load cycles increased. In addition, the rate of reduction in the slope of the ascending range of the bond-slip curve during cyclic loading decreased as the concrete strength increased, and increased as the load level or CFRP-to-concrete width ratio enhanced. However, these were not affected by variations in bond length if the residual bond length was longer than the effective bond length. A bilinear bond-slip model for CFRP sheets that are externally bonded to concrete under cyclic loading, which considered the effects of the cyclic load level, concrete strength, and CFRP-to-concrete ratio, was developed based on the existing static bond-slip model. The accuracy of this proposed model was verified by a comparison between this proposed model and test results.

  4. Effect of nanoscale surface roughness on the bonding energy of direct-bonded silicon wafers

    Science.gov (United States)

    Miki, N.; Spearing, S. M.

    2003-11-01

    Direct wafer bonding of silicon wafers is a promising technology for manufacturing three-dimensional complex microelectromechanical systems as well as silicon-on-insulator substrates. Previous work has reported that the bond quality declines with increasing surface roughness, however, this relationship has not been quantified. This article explicitly correlates the bond quality, which is quantified by the apparent bonding energy, and the surface morphology via the bearing ratio, which describes the area of surface lying above a given depth. The apparent bonding energy is considered to be proportional to the real area of contact. The effective area of contact is defined as the area sufficiently close to contribute to the attractive force between the two bonding wafers. Experiments were conducted with silicon wafers whose surfaces were roughened by a buffered oxide etch solution (BOE, HF:NH4F=1:7) and/or a potassium hydroxide solution. The surface roughness was measured by atomic force microscopy. The wafers were direct bonded to polished "monitor" wafers following a standard RCA cleaning and the resulting bonding energy was measured by the crack-opening method. The experimental results revealed a clear correlation between the bonding energy and the bearing ratio. A bearing depth of ˜1.4 nm was found to be appropriate for the characterization of direct-bonded silicon at room temperature, which is consistent with the thickness of the water layer at the interface responsible for the hydrogen bonds that link the mating wafers.

  5. Leaf non-structural carbohydrate allocation and C:N:P stoichiometry in response to light acclimation in seedlings of two subtropical shade-tolerant tree species.

    Science.gov (United States)

    Xie, Hongtao; Yu, Mukui; Cheng, Xiangrong

    2018-03-01

    Light availability greatly affects plant growth and development. In shaded environments, plants must respond to reduced light intensity to ensure a regular rate of photosynthesis to maintain the dynamic balance of nutrients, such as leaf non-structural carbohydrates (NSCs), carbon (C), nitrogen (N) and phosphorus (P). To improve our understanding of the nutrient utilization strategies of understory shade-tolerant plants, we compared the variations in leaf NSCs, C, N and P in response to heterogeneous controlled light conditions between two subtropical evergreen broadleaf shade-tolerant species, Elaeocarpus sylvestris (E. sylvestris) and Illicium henryi (I. henryi). Light intensity treatments were applied at five levels (100%, 52%, 33%, 15% and 6% full sunlight) for 30 weeks to identify the effects of reduced light intensity on leaf NSC allocation patterns and leaf C:N:P stoichiometry characteristics. We found that leaf soluble sugar, starch and NSC concentrations in E. sylvestris showed decreasing trends with reduced light intensity, whereas I. henryi presented slightly increasing trends from 100% to 15% full sunlight and then significant decreases at extremely low light intensity (6% full sunlight). The soluble sugar/starch ratio of E. sylvestris decreased with decreasing light intensity, whereas that of I. henryi remained stable. Moreover, both species exhibited increasing trends in leaf N and P concentrations but limited leaf N:P and C:P ratio fluctuations with decreasing light intensity, revealing their adaptive strategies for poor light environments and their growth strategies under ideal light environments. There were highly significant correlations between leaf NSC variables and C:N:P stoichiometric variables in both species, revealing a trade-off in photosynthesis production between leaf NSC and carbon allocation. Thus, shade-tolerant plants readjusted their allocation of leaf NSCs, C, N and P in response to light acclimation. Redundancy analysis showed

  6. OPTIMASI KONSENTRASI INOKULUM, RASIO C:N:P DAN pH PADA PROSES BIOREMEDIASI LIMBAH PENGILANGAN MINYAK BUMI MENGGUNAKAN KULTUR CAMPURAN

    Directory of Open Access Journals (Sweden)

    Syukria Ikhsan Zam

    2010-03-01

    Full Text Available The purposes of this research were to obtain the best inoculum concentration, C:N:P ratio, and pH, and also to identify the ability of mixed culture of hydrocarbonoclastic bacteria in oil waste degradation. The isolats were used are Acinetobacter baumanni, Alcaligenes eutrophus, Bacillus sp1., Methylococcus capsulatus, Bacillus sp2., Morococcus sp., Pseudomonas diminuta, Xanthomonas albilineans, Bacillus cereus and Flavobacterium branchiophiia. Variation of inoculum concentrations were 10%, 15%, and 20% (v/v, C:N:P ratios were 100:10:1, 100:10:0,5, 100:5:1, and 100:5:0,5, and pH were 6,5, 7,0, 7,5. Observed parameters in optimization were Total Plate Count (TPC the culture every 24 hours, Total Petroleum Hydrocarbon (TPH and Chemical Oxygen Demand (COD examined at the end of the bioremediation period. Best optimization result then analyzed with GC/MS. Optimization result indicated the best inoculum concentration was 10% with TPH degradation 61,79% and COD slope 61,75%. It is assumed that the low value of TPH degradation and COD slope at 15% and 20% inoculum concentration were caused by competition inside the bacterial population at that high inoculum concentration. The competition result in low growth and degradation. C:N:P ratio was 100:5:1 with TPH degradation 66,55% and COD slope 85,18%. It is assumed that the C:N:P ratio is equal, so it can enhance the bioremediation procces. The best pH was 7,5 with TPH degradation 73,24% and COD slope 86,28%. The process at the optimum conditions using inoculum as a mixed culture enhanced the bioremediation process with the result as follows, TPH degradation 93,06%, COD 90,73% for treatment. The chromatogram indicated that total hydrocarbon compound from nC9 – nC32 have been degraded by 43,413% – 63,117%. A good result of bioremediation was obtained from mixed culture inoculum at 10% concentration, C:N:P ratio of 100:5:1, and pH 7,5.

  7. Destination bonding: Hybrid cognition using Instagram

    Directory of Open Access Journals (Sweden)

    Arup Kumar Baksi

    2015-01-01

    Full Text Available Empirical research has identified the phenomenon of destination bonding as a result of summated physical and emotional values associated with the destination. Physical values, namely natural landscape & other physical settings and emotional values, namely the enculturation processes, have a significant role to play in portraying visitors’ cognitive framework for destination preference. The physical values seemed to be the stimulator for bonding that embodies action or behavior tendencies in imagery. The emotional values were the conditions that lead to affective bonding and are reflected in attitudes for a place which were evident in text narratives. Social networking on virtual platforms offers the scope for hybrid cognitive expression using imagery and text to the visitors. Instagram has emerged as an application-window to capture these hybrid cognitions of visitors. This study focuses on assessing the relationship between hybrid cognition of visitors expressed via Instagram and their bond with the destination. Further to this, the study attempts to examine the impact of hybrid cognition of visitors on the behavioral pattern of prospective visitors to the destination. The study revealed that sharing of visual imageries and related text by the visitors is an expression of the physico-emotional bonding with the destination. It was further established that hybrid cognition strongly asserts destination bonding and has been also found to have moderating impact on the link between destination bonding and electronic-word-of-mouth.

  8. Bond financing for renewable energy in Asia

    International Nuclear Information System (INIS)

    Ng, Thiam Hee; Tao, Jacqueline Yujia

    2016-01-01

    Addressing the financing gap for renewable energy (RE) projects in Asia is critical to ensure that the rapidly increasing energy needs could be met sustainably. This paper explores the cause of the financing gap in Asia and proposes the use of bond financing to address the financing gap. Specifically, three fixed income instruments, namely local currency denominated (LCY) corporate bonds, asset backed project bonds and financial green bonds, will be assessed. Whilst the potential for these three instruments to mobilize large flows of private sector financing is great, key supportive policies aimed at reducing the capital market bias for conventional power generation technologies and supportive RE policies are required. Another key aspect would be the necessary deepening of local and regional fixed income markets before such capital market instruments are able to play a big role. - Highlights: •This study looks at the current financing gap and RE financing landscape in developing Asia. •LCY corporate bonds, asset backed projects bonds and financial green bonds could help to address the financing gap for RE in the region. •Policy recommendations for building the fixed income market for RE projects are provided.

  9. Bone bonding at natural and biomaterial surfaces.

    Science.gov (United States)

    Davies, John E

    2007-12-01

    Bone bonding is occurring in each of us and all other terrestrial vertebrates throughout life at bony remodeling sites. The surface created by the bone-resorbing osteoclast provides a three-dimensionally complex surface with which the cement line, the first matrix elaborated during de novo bone formation, interdigitates and is interlocked. The structure and composition of this interfacial bony matrix has been conserved during evolution across species; and we have known for over a decade that this interfacial matrix can be recapitulated at a biomaterial surface implanted in bone, given appropriate healing conditions. No evidence has emerged to suggest that bone bonding to artificial materials is any different from this natural biological process. Given this understanding it is now possible to explain why bone-bonding biomaterials are not restricted to the calcium-phosphate-based bioactive materials as was once thought. Indeed, in the absence of surface porosity, calcium phosphate biomaterials are not bone bonding. On the contrary, non-bonding materials can be rendered bone bonding by modifying their surface topography. This paper argues that the driving force for bone bonding is bone formation by contact osteogenesis, but that this has to occur on a sufficiently stable recipient surface which has micron-scale surface topography with undercuts in the sub-micron scale-range.

  10. Protection of MOS capacitors during anodic bonding

    Science.gov (United States)

    Schjølberg-Henriksen, K.; Plaza, J. A.; Rafí, J. M.; Esteve, J.; Campabadal, F.; Santander, J.; Jensen, G. U.; Hanneborg, A.

    2002-07-01

    We have investigated the electrical damage by anodic bonding on CMOS-quality gate oxide and methods to prevent this damage. n-type and p-type MOS capacitors were characterized by quasi-static and high-frequency CV-curves before and after anodic bonding. Capacitors that were bonded to a Pyrex wafer with 10 μm deep cavities enclosing the capacitors exhibited increased leakage current and interface trap density after bonding. Two different methods were successful in protecting the capacitors from such damage. Our first approach was to increase the cavity depth from 10 μm to 50 μm, thus reducing the electric field across the gate oxide during bonding from approximately 2 × 105 V cm-1 to 4 × 104 V cm-1. The second protection method was to coat the inside of a 10 μm deep Pyrex glass cavity with aluminium, forming a Faraday cage that removed the electric field across the cavity during anodic bonding. Both methods resulted in capacitors with decreased interface trap density and unchanged leakage current after bonding. No change in effective oxide charge or mobile ion contamination was observed on any of the capacitors in the study.

  11. Atomically Bonded Transparent Superhydrophobic Coatings

    Energy Technology Data Exchange (ETDEWEB)

    Aytug, Tolga [ORNL

    2015-08-01

    Maintaining clarity and avoiding the accumulation of water and dirt on optically transparent surfaces such as US military vehicle windshields, viewports, periscope optical head windows, and electronic equipment cover glasses are critical to providing a high level of visibility, improved survivability, and much-needed safety for warfighters in the field. Through a combination of physical vapor deposition techniques and the exploitation of metastable phase separation in low-alkali borosilicate, a novel technology was developed for the fabrication of optically transparent, porous nanostructured silica thin film coatings that are strongly bonded to glass platforms. The nanotextured films, initially structurally superhydrophilic, exhibit superior superhydrophobicity, hence antisoiling ability, following a simple but robust modification in surface chemistry. The surfaces yield water droplet contact angles as high as 172°. Moreover, the nanostructured nature of these coatings provides increased light scattering in the UV regime and reduced reflectivity (i.e., enhanced transmission) over a broad range of the visible spectrum. In addition to these functionalities, the coatings exhibit superior mechanical resistance to abrasion and are thermally stable to temperatures approaching 500°C. The overall process technology relies on industry standard equipment and inherently scalable manufacturing processes and demands only nontoxic, naturally abundant, and inexpensive base materials. Such coatings, applied to the optical components of current and future combat equipment and military vehicles will provide a significant strategic advantage for warfighters. The inherent self-cleaning properties of such superhydrophobic coatings will also mitigate biofouling of optical windows exposed to high-humidity conditions and can help decrease repair/replacement costs, reduce maintenance, and increase readiness by limiting equipment downtime.

  12. Expected Business Conditions and Bond Risk Premia

    DEFF Research Database (Denmark)

    Eriksen, Jonas Nygaard

    This paper studies the predictability of bond risk premia by means of expectations to future business conditions using survey forecasts from the Survey of Professional Forecasters. We show that expected business conditions consistently affect excess bond returns and that the inclusion of expected...... business conditions in standard predictive regressions improve forecast performance relative to models using information derived from the current term structure or macroeconomic variables. The results are confirmed in a real-time out-of-sample exercise, where the predictive accuracy of the models...... is evaluated both statistically and from the perspective of a mean-variance investor that trades in the bond market....

  13. Solitons on H bonds in proteins

    DEFF Research Database (Denmark)

    d'Ovidio, F.; Bohr, H.G.; Lindgård, Per-Anker

    2003-01-01

    system shows that the solitons are spontaneously created and are stable and moving along the helix axis. A perturbation on one of the three H-bond lines forms solitons on the other H bonds as well. The robust solitary wave may explain very long-lived modes in the frequency range of 100 cm(-1) which...... are found in recent x-ray laser experiments. The dynamics parameters of the Toda lattice are in accordance with the usual Lennard-Jones parameters used for realistic H-bond potentials in proteins....

  14. The Cost of Immediacy for Corporate Bonds

    DEFF Research Database (Denmark)

    Dick-Nielsen, Jens; Marco, Rossi

    Liquidity provision in the corporate bond market has become significantly more expensive after the 2008 credit crisis. Using index exclusions as a natural experiment during which uninformed index trackers request immediacy, we find that the price of immediacy has doubled for short-term investment...... grade bonds, and more than tripled for speculative-grade bonds. The increased cost of immediacy is a side-effect of a ban on proprietary trading (Volker Rule) and tighter post-crisis capital regulations, which have resulted in lower aggregate dealer inventories....

  15. Love Thy Neighbor: Bonding versus Bridging Trust

    OpenAIRE

    Poulsen, Odile; Svendsen, Gert Tinggaard

    2005-01-01

    We study how trust is generated in society. In a two-sector model, we analyze two communities. In the bonding community people do not trust people outside their regular networks. In the bridging community people choose to trust strangers when they meet them. The hypothesis is that when trust is only bonding, it cannot accumulate. Our theoretical contribution is to show that when trust is only bonding then the economy’s level of trust moves to an unstable equilibrium that may under certain con...

  16. Unusual bond paths in organolithium compounds

    International Nuclear Information System (INIS)

    Bachrach, S.M.; Ritchie, J.P.

    1986-01-01

    We have applied the topological method to a number of organolithium compounds. The wavefunctions were determined with GAUSSIAN-82 using 3-21G basis set and fully optimized geometries. Gradient paths were obtained using the RHODER package and critical points were located using EXTREME. These results indicate the unusual nature of organolithium compounds. The strange bond paths arise mainly from the ionic nature of the C-Li interaction. We suggest that the term ''bond path'' may best be suited for covalent bonds. 4 figs., 1 tab

  17. Quantum mechanical facets of chemical bonds

    International Nuclear Information System (INIS)

    Daudel, R.

    1976-01-01

    To define the concept of bond is both a central problem of quantum chemistry and a difficult one. The concept of bond appeared little by little in the mind of chemists from empirical observations. From the wave-mechanical viewpoint it is not an observable. Therefore there is no precise operator associated with that concept. As a consequence there is not a unique approach to the idea of chemical bond. This is why it is preferred to present various quantum mechanical facets, e.g. the energetic facet, the density facet, the partitioning facet and the functional facet, of that important concept. (Auth.)

  18. Composite Bonding to Stainless Steel Crowns Using a New Universal Bonding and Single-Bottle Systems

    Directory of Open Access Journals (Sweden)

    Mohammad Ali Hattan

    2013-01-01

    Full Text Available Aim. The aim of this study is to evaluate the shear bond strength of nanocomposite to stainless steel crowns using a new universal bonding system. Material and Methods. Eighty (80 stainless steel crowns (SSCs were divided into four groups (20 each. Packable nanocomposite was bonded to the lingual surface of the crowns in the following methods: Group A without adhesive (control group, Group B using a new universal adhesive system (Scotchbond Universal Adhesive, 3M ESPE, Seefeld, Germany, and Group C and Group D using two different brands of single-bottle adhesive systems. Shear bond strengths were calculated and the types of failure also were recorded. Results. The shear strength of Group B was significantly greater than that of other groups. No significant differences were found between the shear bond strengths of Groups C and D. The control group had significantly lower shear bond strength ( to composite than the groups that utilized bonding agents. Conclusion. Composites bonding to stainless steel crowns using the new universal bonding agent (Scotchbond Universal Adhesive, 3M ESPE, Seefeld, Germany show significantly greater shear bond strengths and fewer adhesive failures when compared to traditional single-bottle systems.

  19. Room temperature Cu-Cu direct bonding using surface activated bonding method

    International Nuclear Information System (INIS)

    Kim, T.H.; Howlader, M.M.R.; Itoh, T.; Suga, T.

    2003-01-01

    Thin copper (Cu) films of 80 nm thickness deposited on a diffusion barrier layered 8 in. silicon wafers were directly bonded at room temperature using the surface activated bonding method. A low energy Ar ion beam of 40-100 eV was used to activate the Cu surface prior to bonding. Contacting two surface-activated wafers enables successful Cu-Cu direct bonding. The bonding process was carried out under an ultrahigh vacuum condition. No thermal annealing was required to increase the bonding strength since the bonded interface was strong enough at room temperature. The chemical constitution of the Cu surface was examined by Auger electron spectroscope. It was observed that carbon-based contaminations and native oxides on copper surface were effectively removed by Ar ion beam irradiation for 60 s without any wet cleaning processes. An atomic force microscope study shows that the Ar ion beam process causes no surface roughness degradation. Tensile test results show that high bonding strength equivalent to bulk material is achieved at room temperature. The cross-sectional transmission electron microscope observations reveal the presence of void-free bonding interface without intermediate layer at the bonded Cu surfaces

  20. A simple semi-empirical approximation for bond energy

    International Nuclear Information System (INIS)

    Jorge, F.E.; Giambiagi, M.; Giambiagi, M.S. de.

    1985-01-01

    A simple semi-empirical expression for bond energy, related with a generalized bond index, is proposed and applied within the IEH framework. The correlation with experimental data is good for the intermolecular bond energy of base pairs of nucleic acids and other hydrogen bonded systems. The intramolecular bond energies for a sample of molecules containing typical bonds and for hydrides are discussed. The results are compared with those obtained by other methods. (Author) [pt