Determination and toxicity evaluation of the generated products in sulfamethoxazole degradation by UV/CoFe{sub 2}O{sub 4}/TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Gong, Han; Chu, Wei, E-mail: wei.chu@polyu.edu.hk

2016-08-15

Highlights: • Four pathways were determined in sulfamethoxazole degradation by UV/CoFe{sub 2}O{sub 4}/TiO{sub 2}. • Four intermediates were newly detected during sulfamethoxazole degradation. • Planktons were used in the toxicity evaluation of generated intermediates. • The toxicity of sulfanilamide as a harmful intermediate was studied. - Abstract: The photodegradation of sulfamethoxazole (SMX) under UV radiation with a recyclable catalyst CoFe{sub 2}O{sub 4}/TiO{sub 2} was examined. The reaction mechanism during the treatment was determined. The toxicity of the degradation intermediates to aquatic organisms, including the green alga Chlorella vulgaris and the brine shrimp Artemia salina was investigated. SMX was completely removed and about 50% TOC was degraded in 5 h. Sixteen intermediates were detected, from which four of them were reported for the first time in this study. Four main decay pathways, i.e., hydroxylation, cleavage of S−N bond, nitration of amino group, and isomerization were proposed. About 45% of the total mass sulfur source transformed to sulfate ion, and around 25%, 1%, and 0.25% of the total nitrogen transformed to ammonium, nitrogen, and nitrite ions. The toxicity of the treated solution was significantly reduced compared to that of the parent compound SMX. A variation of the algae growth was observed, which was due to the combination of generation of toxic intermediates (i.e., sulfanilamide) and the release of inorganic substances and carbon source as additional nutrients. The adverse effect on the clearance rate of the brine shrimp was also observed, but it can be eliminated if longer degradation time is used.

Characteristic of Ti-based PbO{sub 2} anodes with SnO{sub 2}+Sb{sub 2}O{sub 3} intermediate layers

Energy Technology Data Exchange (ETDEWEB)

Wang, Y.; Tong, H.; Xu, W. [Yangzhou Univ., College of Chemistry and Chemical Engineering, Yangzhou (China)

2006-07-01

Ceramic coatings are used in many electrochemical applications, such as organic synthetic applications, wastewater treatment and oxygen production. These processes typically occur in aqueous sulphuric acid. Desirable features for electrode materials include electro-catalytic activity, high stability, low cost, good overall performance under mild conditions and commercial availability. Lead dioxide exhibits excellent chemical stability, high conductivity, high overpotential for oxygen evolution and lower cost in an acid medium. Studies have shown that the stability of active coating prepared by depositing lead dioxide on titanium substrate is poor. In order to solve this problems, methods of doping expensive noble metals or adding an intermediate layer have been examined. Electrode coatings are very sensitive to preparation procedures, in which precursors play an important role in the surface morphology, microstructure, final composition and stability of anodes. However, appreciable inorganic salt loss has been reported using traditional precursors. A polymeric precursor (PP) method commonly used in the preparation of nano-particles has certain advantages, such as easy manipulation and insensitivity to the presence of water. This study characterized the surface morphology and electrochemical behaviour of titanium (Ti)/tin oxide (SnO{sub 2}) plus antimony oxide ((Sb{sub 2}O{sub 3})/lead dioxide (PbO{sub 2}) anode with SnO{sub 2} plus Sb{sub 2}O{sub 3} intermediate coatings. The electrochemical performance of Ti/SnO{sub 2}+Sb{sub 2}O{sub 3}/PbO{sub 2} anode preparing intermediate layer by the PP method was compared with alcohol precursors. It was concluded that adding SnO{sub 2}+Sb2O{sub 3} intermediate layer to Ti/PbO{sub 2} anodes could enhance the lifetime and stability of the anodes, thus its performance. 10 refs., 2 tabs.

Heat Transfer and Entropy Generation Analysis of an Intermediate Heat Exchanger in ADS

Science.gov (United States)

Wang, Yongwei; Huai, Xiulan

2018-04-01

The intermediate heat exchanger for enhancement heat transfer is the important equipment in the usage of nuclear energy. In the present work, heat transfer and entropy generation of an intermediate heat exchanger (IHX) in the accelerator driven subcritical system (ADS) are investigated experimentally. The variation of entropy generation number with performance parameters of the IHX is analyzed, and effects of inlet conditions of the IHX on entropy generation number and heat transfer are discussed. Compared with the results at two working conditions of the constant mass flow rates of liquid lead-bismuth eutectic (LBE) and helium gas, the total pumping power all tends to reduce with the decreasing entropy generation number, but the variations of the effectiveness, number of transfer units and thermal capacity rate ratio are inconsistent, and need to analyze respectively. With the increasing inlet mass flow rate or LBE inlet temperature, the entropy generation number increases and the heat transfer is enhanced, while the opposite trend occurs with the increasing helium gas inlet temperature. The further study is necessary for obtaining the optimized operation parameters of the IHX to minimize entropy generation and enhance heat transfer.

Generation, transport and conduct of radioactive wastes of low and intermediate level

International Nuclear Information System (INIS)

Lizcano, D.; Jimenez, J.

2005-01-01

The technological development of the last decades produced an increment in the application of the radiations in different human activities. The effect of it has been it the production of radioactive wastes of all the levels. In Mexico, some of the stages of the administration of the waste of low and intermediate level have not been completely resolved, as the case of the treatment and the final storage. In this work aspects of the generation, the transport and the administration of radioactive waste of low and intermediate level produced in the non energy applications from the radioactive materials to national level, indicating the generated average quantities, transported and tried annually by the National Institute of Nuclear Research (ININ). The main generators of wastes in Mexico, classified according to the activity in which the radioactive materials are used its are listed. Some of the main processes of treatment of radioactive wastes broadly applied in the world and those that are used at the moment in our country are also presented. (Author)

Photoproduction of One-Electron Reducing Intermediates by Chromophoric Dissolved Organic Matter (CDOM): Relation to O2- and H2O2 Photoproduction and CDOM Photooxidation.

Science.gov (United States)

Zhang, Yi; Blough, Neil V

2016-10-06

A molecular probe, 3-amino-2,2,5,5,-tetramethy-1-pyrrolydinyloxy (3ap), was employed to determine the formation rates of one-electron reducing intermediates generated photochemically from both untreated and borohydride-reduced Suwanee River fulvic and humic acids (SRFA and SRHA, respectively). This stable nitroxyl radical reacts rapidly with reducing radicals and other one-electron reductants to produce a relatively stable product, the hydroxylamine, which can be derivatized with fluorescamine, separated by HPLC and quantified fluorimetrically. We provide evidence that O 2 and 3ap compete for the same pool(s) of photoproduced reducing intermediates, and that under appropriate experimental conditions, the initial rate of hydroxylamine formation (R H ) can provide an estimate of the initial rate of superoxide (O 2 - ) formation. However, comparison of the initial rates of H 2 O 2 formation (R H2O2 ) to that of R H show far larger ratios of R H /R H2O2 (∼6-13) than be accounted for by simple O 2 - dismutation (R H /R H2O2 = 2), implying a significant oxidative sink of O 2 - (∼67-85%). Because of their high reactivity with O 2 - and their likely importance in the photochemistry of CDOM, we suggest that coproduced phenoxy radicals could represent a viable oxidative sink. Because O 2 - /phenoxy radical reactions can lead to more highly oxidized products, O 2 - could be playing a far more significant role in the photooxidation of CDOM than has been previously recognized.

Comments on intermediate-scale models

International Nuclear Information System (INIS)

Ellis, J.; Enqvist, K.; Nanopoulos, D.V.; Olive, K.

1987-01-01

Some superstring-inspired models employ intermediate scales m I of gauge symmetry breaking. Such scales should exceed 10 16 GeV in order to avoid prima facie problems with baryon decay through heavy particles and non-perturbative behaviour of the gauge couplings above m I . However, the intermediate-scale phase transition does not occur until the temperature of the Universe falls below O(m W ), after which an enormous excess of entropy is generated. Moreover, gauge symmetry breaking by renormalization group-improved radiative corrections is inapplicable because the symmetry-breaking field has not renormalizable interactions at scales below m I . We also comment on the danger of baryon and lepton number violation in the effective low-energy theory. (orig.)

Effect of TiON–MgO intermediate layer on microstructure and magnetic properties of L1{sub 0} FePt–C–SiO{sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Deng, J.Y. [Department of Materials Science and Engineering, National University of Singapore, Singapore 117576 (Singapore); Dong, K.F. [School of Automation, China University of Geosciences, Wuhan 430074 (China); Peng, Y.G.; Ju, G.P. [Seagate Technology, Fremont, CA 94538 (United States); Hu, J.F. [Data Storage Institute (DSI), Singapore 117608 (Singapore); Chow, G.M.; Chen, J.S. [Department of Materials Science and Engineering, National University of Singapore, Singapore 117576 (Singapore)

2016-11-01

The microstructure and magnetic properties of L1{sub 0} FePt–C–SiO{sub 2} films grown on TiON–MgO intermediate layer were studied. TiON–MgO layer was deposited by co-sputtering TiN and MgO–TiO{sub 2} targets at 380 °C. With increasing MgO–TiO{sub 2} doping concentration, the contact angle between FePt grains with intermediate layer gradually increased, and it was close to 90° when the volume percentage of MgO–TiO{sub 2} reached 30%. At this condition, a high out-of-plane coercivity of 19.1 kOe was obtained, while the opening-up of in-plane M-H loop was very narrow. Moreover, it was found that the out-of-plane coercivity can be further improved to 21.6 kOe, by slightly increasing the percentage of MgO–TiO{sub 2} to 35 vol%. - Highlights: • The effect of TiON–MgO intermediate layer was studied. • With increasing the MgO composition, the surface energy of intermediate layer increased, and the FePt/TiON–MgO interfacial energy decreased. The contact angle of FePt grains with intermediate layer increased with the MgO composition, and 90° contact angle could be achieved by optimizing the MgO composition. • Good perpendicular magnetic anisotropy was retained with large out-of-plane coercivity and narrow in-plane opening-up.

Isoporphyrin intermediate in heme oxygenase catalysis. Oxidation of alpha-meso-phenylheme.

Science.gov (United States)

Evans, John P; Niemevz, Fernando; Buldain, Graciela; de Montellano, Paul Ortiz

2008-07-11

Human heme oxygenase-1 (hHO-1) catalyzes the O2- and NADPH-dependent oxidation of heme to biliverdin, CO, and free iron. The first step involves regiospecific insertion of an oxygen atom at the alpha-meso carbon by a ferric hydroperoxide and is predicted to proceed via an isoporphyrin pi-cation intermediate. Here we report spectroscopic detection of a transient intermediate during oxidation by hHO-1 of alpha-meso-phenylheme-IX, alpha-meso-(p-methylphenyl)-mesoheme-III, and alpha-meso-(p-trifluoromethylphenyl)-mesoheme-III. In agreement with previous experiments (Wang, J., Niemevz, F., Lad, L., Huang, L., Alvarez, D. E., Buldain, G., Poulos, T. L., and Ortiz de Montellano, P. R. (2004) J. Biol. Chem. 279, 42593-42604), only the alpha-biliverdin isomer is produced with concomitant formation of the corresponding benzoic acid. The transient intermediate observed in the NADPH-P450 reductase-catalyzed reaction accumulated when the reaction was supported by H2O2 and exhibited the absorption maxima at 435 and 930 nm characteristic of an isoporphyrin. Product analysis by reversed phase high performance liquid chromatography and liquid chromatography electrospray ionization mass spectrometry of the product generated with H2O2 identified it as an isoporphyrin that, on quenching, decayed to benzoylbiliverdin. In the presence of H218O2, one labeled oxygen atom was incorporated into these products. The hHO-1-isoporphyrin complexes were found to have half-lives of 1.7 and 2.4 h for the p-trifluoromethyl- and p-methyl-substituted phenylhemes, respectively. The addition of NADPH-P450 reductase to the H2O2-generated hHO-1-isoporphyrin complex produced alpha-biliverdin, confirming its role as a reaction intermediate. Identification of an isoporphyrin intermediate in the catalytic sequence of hHO-1, the first such intermediate observed in hemoprotein catalysis, completes our understanding of the critical first step of heme oxidation.

A boron and gallium co-doped ZnO intermediate layer for ZnO/Si heterojunction diodes

Science.gov (United States)

Lu, Yuanxi; Huang, Jian; Li, Bing; Tang, Ke; Ma, Yuncheng; Cao, Meng; Wang, Lin; Wang, Linjun

2018-01-01

ZnO (Zinc oxide)/Si (Silicon) heterojunctions were prepared by depositing n-type ZnO films on p-type single crystal Si substrates using magnetron sputtering. A boron and gallium co-doped ZnO (BGZO) high conductivity intermediate layer was deposited between aurum (Au) electrodes and ZnO films. The influence of the BGZO layer on the properties of Au/ZnO contacts and the performance of ZnO/Si heterojunctions was investigated. The results show an improvement in contact resistance by introducing the BGZO layer. Compared with the ZnO/Si heterojunction, the BGZO/ZnO/Si heterojunction exhibits a larger forward current, a smaller turn-on voltage and higher ratio of ultraviolet (UV) photo current/dark current.

Improved tribological properties of TiC with porous nanostructured TiO2 intermediate layer

International Nuclear Information System (INIS)

Shanaghi, Ali; Ahangarani, Shahrokh; Sabour Rouhaghdam, Ali Reza; Chu, Paul K.

2011-01-01

Highlights: ► The porous TiO 2 nanoparticle coating is deposited as an intermediate layer on steel. ► A homogenous and low friction TiC nanostructure coating is deposited by plasma CVD. ► Intermediate layer can be determined the nucleation and growth of the TiC coating. ► The porous interlayer improves the friction and wear of the TiC nanostructure coating. - Abstract: The mismatch in the thermal expansion coefficients between TiC coatings and steel substrates and residual stress in the TiC degrade the tribological properties. In this work, a porous nanostructured TiO 2 coating is deposited as an intermediate layer on hot-work steel (H 11 ) before final deposition of the TiC film. This intermediate layer is expected to reduce the interfacial energy, decreases the thermal mismatch between TiC and steel, and improves the tribological properties. Grazing incidence X-ray diffraction (GIXRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM), and pin-on-disk are used to study the structure as well as tribological properties such as friction, wear, and hardness. Our results reveal that the porous TiO 2 interlayer improves the friction, wear, hardness, and elastic modulus of the system.

Comments on intermediate-scale models

Energy Technology Data Exchange (ETDEWEB)

Ellis, J.; Enqvist, K.; Nanopoulos, D.V.; Olive, K.

1987-04-23

Some superstring-inspired models employ intermediate scales m/sub I/ of gauge symmetry breaking. Such scales should exceed 10/sup 16/ GeV in order to avoid prima facie problems with baryon decay through heavy particles and non-perturbative behaviour of the gauge couplings above m/sub I/. However, the intermediate-scale phase transition does not occur until the temperature of the Universe falls below O(m/sub W/), after which an enormous excess of entropy is generated. Moreover, gauge symmetry breaking by renormalization group-improved radiative corrections is inapplicable because the symmetry-breaking field has not renormalizable interactions at scales below m/sub I/. We also comment on the danger of baryon and lepton number violation in the effective low-energy theory.

Effect of TiN-ZrO{sub 2} intermediate layer on the microstructure and magnetic properties of FePt and FePt-SiO{sub 2}-C thin films

Energy Technology Data Exchange (ETDEWEB)

Dong, K.F., E-mail: dongkf1981@163.com; Mo, W.Q.; Jin, F.; Song, J.L.

2017-06-15

Highlights: • The TiN-ZrO{sub 2} consisted of solid solution of Ti(Zr)ON segregated by amorphous ZrO{sub 2}. • With doping ZrO{sub 2} into TiN layer, grain size of FePt films significantly decreased. • By introducing TiN-ZrO{sub 2}/TiN combined layer, the magnetic properties were improved. - Abstract: The microstructures and magnetic properties of FePt based thin films grown on TiN-ZrO{sub 2} and TiN-ZrO{sub 2}/TiN intermediate layers were systematically investigated. The TiN-ZrO{sub 2} intermediate layer was granular consisting of grains of solid solution of Ti(Zr)ON segregated by amorphous ZrO{sub 2}. It was found with doping ZrO{sub 2} into TiN intermediate layer, grain size of FePt-SiO{sub 2}-C films significantly decreased. Simultaneously, the isolation was obviously improved and grain size distribution became more uniform. However, the magnetic properties of the FePt-SiO{sub 2}-C films grown on TiN-ZrO{sub 2} intermediate layers were slowly deteriorated, which was due to the disturbance of the epitaxial growth of FePt by amorphous ZrO{sub 2} in TiN-ZrO{sub 2} intermediate layer. In order to improve the TiN-ZrO{sub 2} (0 0 2) texture and the crystallinity of TiN-ZrO{sub 2}, TiN-ZrO{sub 2}/TiN combined intermediate layer was introduced. And the magnetic properties were improved, simultaneously, achieving the benefit of grain size reduction. For the FePt 4 nm-SiO{sub 2} 40 vol%-C 20 vol% film grown on TiN/TiN-ZrO{sub 2} 30 vol% combined intermediate layer, well isolated FePt (0 0 1) granular films with coercivity higher than 17.6 kOe and an average size as small as 6.5 nm were achieved.

NO-oxygen scavenger or reaction intermediate in the decomposition of N2O?

Czech Academy of Sciences Publication Activity Database

Nováková, Jana; Sobalík, Zdeněk

2006-01-01

Roč. 111, 3-4 (2006), s. 195-202 ISSN 1011-372X R&D Projects: GA AV ČR 1ET400400413 Institutional research plan: CEZ:AV0Z40400503 Keywords : 15N2 18O and 15N2 18 O + 14N 16O decomposition * role of NOx intermediates * Fe-zeolites Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.772, year: 2006

Derivation of intermediate to silicic magma from the basalt analyzed at the Vega 2 landing site, Venus.

Science.gov (United States)

Shellnutt, J Gregory

2018-01-01

Geochemical modeling using the basalt composition analyzed at the Vega 2 landing site indicates that intermediate to silicic liquids can be generated by fractional crystallization and equilibrium partial melting. Fractional crystallization modeling using variable pressures (0.01 GPa to 0.5 GPa) and relative oxidation states (FMQ 0 and FMQ -1) of either a wet (H2O = 0.5 wt%) or dry (H2O = 0 wt%) parental magma can yield silicic (SiO2 > 60 wt%) compositions that are similar to terrestrial ferroan rhyolite. Hydrous (H2O = 0.5 wt%) partial melting can yield intermediate (trachyandesite to andesite) to silicic (trachydacite) compositions at all pressures but requires relatively high temperatures (≥ 950°C) to generate the initial melt at intermediate to low pressure whereas at high pressure (0.5 GPa) the first melts will be generated at much lower temperatures (< 800°C). Anhydrous partial melt modeling yielded mafic (basaltic andesite) and alkaline compositions (trachybasalt) but the temperature required to produce the first liquid is very high (≥ 1130°C). Consequently, anhydrous partial melting is an unlikely process to generate derivative liquids. The modeling results indicate that, under certain conditions, the Vega 2 composition can generate silicic liquids that produce granitic and rhyolitic rocks. The implication is that silicic igneous rocks may form a small but important component of the northeast Aphrodite Terra.

The Role of Intermediates in the Process of Red Ferric Pigment Manufacture from FeSO4.7H2O

International Nuclear Information System (INIS)

Zboril, Radek; Mashlan, Miroslav; Petridis, Dimitris; Krausova, Dagmar; Pikal, Petr

2002-01-01

One method of industrial manufacture of red ferric pigments is based on the thermal decomposition of FeSO 4 .7H 2 O into α-Fe 2 O 3 (copperas red). The difficult reproducibility of the color quality of the final pigment is the main problem of this process. One of the factors that can influence the pigment color is contamination by some of the intermediates formed during the transformation process. The identification of two groups of intermediates is the basic result of an extensive laboratory investigation carried out using 57 Fe Moessbauer spectroscopy and X-ray powder diffraction (XRD). The first group of intermediates includes sulfato-phases as FeSO 4 .H 2 O, FeSO 4 , Fe(OH)SO 4 , Fe 2 O(SO 4 ) 2 , Fe 2 O(SO 4 ) 2 .xH 2 O x element of (0,1), and Fe 2 (SO 4 ) 3 . Thermally metastable polymorphs of iron(III) oxide, β-Fe 2 O 3 , γ-Fe 2 O 3 and ε-Fe 2 O 3 , represent the other group. Moessbauer characterization of all intermediate products is given. A significant influence of β-Fe 2 O 3 on the pigment color was found.

Discovery of the weak neutral intermediate vector boson Zsup(O)

International Nuclear Information System (INIS)

Kiss, D.

1983-01-01

The experimental detection and identification of the theoretically predicted new particle, the neutral intermediate vector boson of weak and electromagnetic interactions are described. Some technical details of the experiment made by CERN group led by C. Rubbia are discussed. The mass and width of Zsup(O) particle are in agreement with theoretical predictions. The importance of the new discovery is emphasized. (D.Gy.)

Research on the intermediate process of a free-piston linear generator from cold start-up to stable operation: Numerical model and experimental results

International Nuclear Information System (INIS)

Feng, Huihua; Guo, Chendong; Jia, Boru; Zuo, Zhengxing; Guo, Yuyao; Roskilly, Tony

2016-01-01

Highlights: • The intermediate process of free-piston linear generator is investigated for the first time. • “Gradually switching strategy” is the best strategy in the intermediate process. • Switching at the top dead center position timing has the least influences on free-piston linear generator. • After the intermediate process, the operation parameters value is smaller than those before the intermediate process. - Abstract: The free-piston linear generator (FPLG) has more merits than the traditional reciprocating engines (TRE), and has been under extensive investigation. Researchers mainly investigated on the starting process and the stable generating process of FPLG, while there has not been any report on the intermediate process from the engine cold start-up to stable operation process. Therefore, this paper investigated the intermediate process of the FPLG in terms of switching strategy and switching position based on simulation results and test results. Results showed that when the motor force of the linear electric machine (LEM) declined gradually from 100% to 0% with an interval of 50%, and then to a resistance force in the opposite direction of piston velocity (generator mode), the operation parameters of the FPLG showed minimal changes. Meanwhile, the engine operated more smoothly when the LEM switched its working mode from a motor to a generator at the piston dead center, compared with that at the middle stroke or a random switching time. More importantly, after the intermediate process, the operation parameters of FPLG were smaller than that before the intermediate process. As a result, a gradual motor/generator switching strategy was recommended and the LEM was suggested to switch its working mode when the piston arrived its dead center in order to achieve smooth engine operation.

Improved tribological properties of TiC with porous nanostructured TiO{sub 2} intermediate layer

Energy Technology Data Exchange (ETDEWEB)

Shanaghi, Ali, E-mail: alishanaghi@gmail.com [Surface Engineering Laboratory, Materials Engineering Department, Faculty of Engineering, Tarbiat Modares University, P.O. Box 14115-143, Tehran (Iran, Islamic Republic of); Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Ahangarani, Shahrokh, E-mail: sh.ahangarani@gmail.com [Advanced Materials and Renewable Energies Department, Iranian Research Organization for Science and Technology, P.O. Box 15815-3538, Tehran (Iran, Islamic Republic of); Sabour Rouhaghdam, Ali Reza, E-mail: sabour01@modares.ac.ir [Surface Engineering Laboratory, Materials Engineering Department, Faculty of Engineering, Tarbiat Modares University, P.O. Box 14115-143, Tehran (Iran, Islamic Republic of); Chu, Paul K., E-mail: paul.chu@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

2011-12-15

Highlights: Black-Right-Pointing-Pointer The porous TiO{sub 2} nanoparticle coating is deposited as an intermediate layer on steel. Black-Right-Pointing-Pointer A homogenous and low friction TiC nanostructure coating is deposited by plasma CVD. Black-Right-Pointing-Pointer Intermediate layer can be determined the nucleation and growth of the TiC coating. Black-Right-Pointing-Pointer The porous interlayer improves the friction and wear of the TiC nanostructure coating. - Abstract: The mismatch in the thermal expansion coefficients between TiC coatings and steel substrates and residual stress in the TiC degrade the tribological properties. In this work, a porous nanostructured TiO{sub 2} coating is deposited as an intermediate layer on hot-work steel (H{sub 11}) before final deposition of the TiC film. This intermediate layer is expected to reduce the interfacial energy, decreases the thermal mismatch between TiC and steel, and improves the tribological properties. Grazing incidence X-ray diffraction (GIXRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM), and pin-on-disk are used to study the structure as well as tribological properties such as friction, wear, and hardness. Our results reveal that the porous TiO{sub 2} interlayer improves the friction, wear, hardness, and elastic modulus of the system.

Sum Frequency Generation Vibrational Spectroscopy of 1,3-Butadiene Hydrogenation on 4 nm Pt@SiO 2 , Pd@SiO 2 , and Rh@SiO 2 Core–Shell Catalysts

KAUST Repository

Krier, James M.

2015-01-14

© 2014 American Chemical Society. 1,3-Butadiene (1,3-BD) hydrogenation was performed on 4 nm Pt, Pd, and Rh nanoparticles (NPs) encapsulated in SiO2 shells at 20, 60, and 100 °C. The core-shells were grown around polyvinylpyrrolidone (PVP) coated NPs (Stöber encapsulation) prepared by colloidal synthesis. Sum frequency generation (SFG) vibrational spectroscopy was performed to correlate surface intermediates observed in situ with reaction selectivity. It is shown that calcination is effective in removing PVP, and the SFG signal can be generated from the metal surface. Using SFG, it is possible to compare the surface vibrational spectrum of Pt@SiO2 (1,3-BD is hydrogenated through multiple paths and produces butane, 1-butene, and cis/trans-2-butene) to Pd@SiO2 (1,3-BD favors one path and produces 1-butene and cis/trans-2-butene). In contrast to Pt@SiO2 and Pd@SiO2, SFG and kinetic experiments of Rh@SiO2 show a permanent accumulation of organic material.

Highly efficient alkane oxidation catalyzed by [Mn(V)(N)(CN)4](2-). Evidence for [Mn(VII)(N)(O)(CN)4](2-) as an active intermediate.

Science.gov (United States)

Ma, Li; Pan, Yi; Man, Wai-Lun; Kwong, Hoi-Ki; Lam, William W Y; Chen, Gui; Lau, Kai-Chung; Lau, Tai-Chu

2014-05-28

The oxidation of various alkanes catalyzed by [Mn(V)(N)(CN)4](2-) using various terminal oxidants at room temperature has been investigated. Excellent yields of alcohols and ketones (>95%) are obtained using H2O2 as oxidant and CF3CH2OH as solvent. Good yields (>80%) are also obtained using (NH4)2[Ce(NO3)6] in CF3CH2OH/H2O. Kinetic isotope effects (KIEs) are determined by using an equimolar mixture of cyclohexane (c-C6H12) and cyclohexane-d12 (c-C6D12) as substrate. The KIEs are 3.1 ± 0.3 and 3.6 ± 0.2 for oxidation by H2O2 and Ce(IV), respectively. On the other hand, the rate constants for the formation of products using c-C6H12 or c-C6D12 as single substrate are the same. These results are consistent with initial rate-limiting formation of an active intermediate between [Mn(N)(CN)4](2-) and H2O2 or Ce(IV), followed by H-atom abstraction from cyclohexane by the active intermediate. When PhCH2C(CH3)2OOH (MPPH) is used as oxidant for the oxidation of c-C6H12, the major products are c-C6H11OH, c-C6H10O, and PhCH2C(CH3)2OH (MPPOH), suggesting heterolytic cleavage of MPPH to generate a Mn═O intermediate. In the reaction of H2O2 with [Mn(N)(CN)4](2-) in CF3CH2OH, a peak at m/z 628.1 was observed in the electrospray ionization mass spectrometry, which is assigned to the solvated manganese nitrido oxo species, (PPh4)[Mn(N)(O)(CN)4](-)·CF3CH2OH. On the basis of the experimental results the proposed mechanism for catalytic alkane oxidation by [Mn(V)(N)(CN)4](2-)/ROOH involves initial rate-limiting O-atom transfer from ROOH to [Mn(N)(CN)4](2-) to generate a manganese(VII) nitrido oxo active species, [Mn(VII)(N)(O)(CN)4](2-), which then oxidizes alkanes (R'H) via a H-atom abstraction/O-rebound mechanism. The proposed mechanism is also supported by density functional theory calculations.

Forging Fluorine-Containing Quaternary Stereocenters by a Light-Driven Organocatalytic Aldol Desymmetrization Process.

Science.gov (United States)

Cuadros, Sara; Dell'Amico, Luca; Melchiorre, Paolo

2017-09-18

Reported herein is a light-triggered organocatalytic strategy for the desymmetrization of achiral 2-fluoro-substituted cyclopentane-1,3-diketones. The chemistry is based on an intermolecular aldol reaction of photochemically generated hydroxy-o-quinodimethanes and simultaneously forges two adjacent fully substituted carbon stereocenters, with one bearing a stereogenic carbon-fluorine unit. The method uses readily available substrates, a simple chiral organocatalyst, and mild reaction conditions to afford an array of highly functionalized chiral 2-fluoro-3-hydroxycyclopentanones. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Investigation of the O+allyl addition/elimination reaction pathways from the OCH2CHCH2 radical intermediate

International Nuclear Information System (INIS)

FitzPatrick, Benjamin L.; Lau, K.-C.; Butler, Laurie J.; Lee, S.-H.; Lin, Jim Jr-Min

2008-01-01

These experiments study the preparation of and product channels resulting from OCH 2 CHCH 2 , a key radical intermediate in the O+allyl bimolecular reaction. The data include velocity map imaging and molecular beam scattering results to probe the photolytic generation of the radical intermediate and the subsequent pathways by which the radicals access the energetically allowed product channels of the bimolecular reaction. The photodissociation of epichlorohydrin at 193.3 nm produces chlorine atoms and c-OCH 2 CHCH 2 radicals; these undergo a facile ring opening to the OCH 2 CHCH 2 radical intermediate. State-selective resonance-enhanced multiphoton ionization (REMPI) detection resolves the velocity distributions of ground and spin-orbit excited state chlorine independently, allowing for a more accurate determination of the internal energy distribution of the nascent radicals. We obtain good agreement detecting the velocity distributions of the Cl atoms with REMPI, vacuum ultraviolet (VUV) photoionization at 13.8 eV, and electron bombardment ionization; all show a bimodal distribution of recoil kinetic energies. The dominant high recoil kinetic energy feature peaks near 33 kcal/mol. To elucidate the product channels resulting from the OCH 2 CHCH 2 radical intermediate, the crossed laser-molecular beam experiment uses VUV photoionization and detects the velocity distribution of the possible products. The data identify the three dominant product channels as C 3 H 4 O (acrolein)+H, C 2 H 4 +HCO (formyl radical), and H 2 CO (formaldehyde)+C 2 H 3 . A small signal from C 2 H 2 O (ketene) product is also detected. The measured velocity distributions and relative signal intensities at m/e=27, 28, and 29 at two photoionization energies show that the most exothermic product channel, C 2 H 5 +CO, does not contribute significantly to the product branching. The higher internal energy onset of the acrolein+H product channel is consistent with the relative barriers en route to

Investigation of the O+allyl addition/elimination reaction pathways from the OCH2CHCH2 radical intermediate

Science.gov (United States)

Fitzpatrick, Benjamin L.; Lau, Kai-Chung; Butler, Laurie J.; Lee, Shih-Huang; Lin, Jim-Min, Jr.

2008-08-01

These experiments study the preparation of and product channels resulting from OCH2CHCH2, a key radical intermediate in the O+allyl bimolecular reaction. The data include velocity map imaging and molecular beam scattering results to probe the photolytic generation of the radical intermediate and the subsequent pathways by which the radicals access the energetically allowed product channels of the bimolecular reaction. The photodissociation of epichlorohydrin at 193.3 nm produces chlorine atoms and c-OCH2CHCH2 radicals; these undergo a facile ring opening to the OCH2CHCH2 radical intermediate. State-selective resonance-enhanced multiphoton ionization (REMPI) detection resolves the velocity distributions of ground and spin-orbit excited state chlorine independently, allowing for a more accurate determination of the internal energy distribution of the nascent radicals. We obtain good agreement detecting the velocity distributions of the Cl atoms with REMPI, vacuum ultraviolet (VUV) photoionization at 13.8 eV, and electron bombardment ionization; all show a bimodal distribution of recoil kinetic energies. The dominant high recoil kinetic energy feature peaks near 33 kcal/mol. To elucidate the product channels resulting from the OCH2CHCH2 radical intermediate, the crossed laser-molecular beam experiment uses VUV photoionization and detects the velocity distribution of the possible products. The data identify the three dominant product channels as C3H4O (acrolein)+H, C2H4+HCO (formyl radical), and H2CO (formaldehyde)+C2H3. A small signal from C2H2O (ketene) product is also detected. The measured velocity distributions and relative signal intensities at m/e=27, 28, and 29 at two photoionization energies show that the most exothermic product channel, C2H5+CO, does not contribute significantly to the product branching. The higher internal energy onset of the acrolein+H product channel is consistent with the relative barriers en route to each of these product channels

Determination and toxicity evaluation of the generated products in sulfamethoxazole degradation by UV/CoFe(2)O(4)/TiO(2).

Science.gov (United States)

Gong, Han; Chu, Wei

2016-08-15

The photodegradation of sulfamethoxazole (SMX) under UV radiation with a recyclable catalyst CoFe2O4/TiO2 was examined. The reaction mechanism during the treatment was determined. The toxicity of the degradation intermediates to aquatic organisms, including the green alga Chlorella vulgaris and the brine shrimp Artemia salina was investigated. SMX was completely removed and about 50% TOC was degraded in 5h. Sixteen intermediates were detected, from which four of them were reported for the first time in this study. Four main decay pathways, i.e., hydroxylation, cleavage of SN bond, nitration of amino group, and isomerization were proposed. About 45% of the total mass sulfur source transformed to sulfate ion, and around 25%, 1%, and 0.25% of the total nitrogen transformed to ammonium, nitrogen, and nitrite ions. The toxicity of the treated solution was significantly reduced compared to that of the parent compound SMX. A variation of the algae growth was observed, which was due to the combination of generation of toxic intermediates (i.e., sulfanilamide) and the release of inorganic substances and carbon source as additional nutrients. The adverse effect on the clearance rate of the brine shrimp was also observed, but it can be eliminated if longer degradation time is used. Copyright © 2016 Elsevier B.V. All rights reserved.

Removal behaviors of sulfamonomethoxine and its degradation intermediates in fresh aquaculture wastewater using zeolite/TiO2 composites.

Science.gov (United States)

Nomura, Youhei; Fukahori, Shuji; Fukada, Haruhisa; Fujiwara, Taku

2017-10-15

Removal efficiencies of sulfamonomethoxine (SMM) and its degradation intermediates formed by treatment with zeolite/TiO 2 composites through adsorption and photocatalysis were investigated in fresh aquaculture wastewater (FAWW). Coexistent substances in the FAWW showed no inhibitory effects against SMM adsorption. Although coexistent substances in the FAWW inhibited the photocatalytic decomposition of SMM, the composites mitigated the inhibition, possibly because of concentration of SMM on their surface by adsorption. LC/MS/MS analyses revealed that hydroxylation of amino phenyl and pyrimidinyl portions, transformation of the amino group in the amino phenyl portion into a nitroso group, and substitution of the methoxy group with a hydroxyl group occurring in the initial reaction resulted in the formation of various intermediates during the photocatalysis of SMM. All detected intermediates had a ring structure, and almost all intermediates disappeared at the same time SMM was completely decomposed. Ph-OH formed by hydroxylation of the phenyl portion was detected upon decomposition of SMM during photocatalysis. The removal of Ph-OH by the composites proceeded more rapidly than that by TiO 2 alone under ultraviolet irradiation. The SMM and Ph-OH were completely degraded by the composites within 30min, showing that the zeolite/TiO 2 composites were effective in removing SMM and its intermediates from FAWW. Copyright © 2017 Elsevier B.V. All rights reserved.

Hipse: an event generator for nuclear collisions at intermediate energies

International Nuclear Information System (INIS)

Lacroix, D.; Van Lauwe, A.; Durand, D.

2003-11-01

An event generator, HIPSE (Heavy-Ion Phase-Space Exploration), dedicated to the description of nuclear collisions in the intermediate energy range is presented. Based on the sudden approximation and on geometrical hypothesis, it can conveniently simulate heavy-ion interactions at all impact parameters and thus can constitute a valuable tool for the understanding of processes such as neck emission or multifragmentation in peripheral or/and central collisions. After a detailed description of the ingredients of the model, first comparisons with experimental data collected by the INDRA collaboration are shown. Special emphasis is put on the kinematical characteristics of fragments and light particles observed at all impact parameters for Xe+Sn reactions at 25 and 50 MeV/u and Ni + Ni at 82 MeV/u. (authors)

Time-resolved resonance Raman spectroscopy of intermediates of bacteriorhodopsin: The bK(590) intermediate.

Science.gov (United States)

Terner, J; Hsieh, C L; Burns, A R; El-Sayed, M A

1979-07-01

We have combined microbeam and flow techniques with computer subtraction methods to obtain the resonance Raman spectrum of the short lived batho-intermediate (bK(590)) of bacteriorhodopsin. Comparison of the spectra obtained in (1)H(2)O and (2)H(2)O, as well as the fact that the bK(590) intermediate shows large optical red shifts, suggests that the Schiff base linkage of this intermediate is protonated. The fingerprint region of the spectrum of bK(590), sensitive to the isomeric configuration of the retinal chromophore, does not resemble the corresponding region of the parent bR(570) form. The resonance Raman spectrum of bK(590) as well as the spectra of all of the other main intermediates in the photoreaction cycle of bacteriorhodopsin are discussed and compared with resonance Raman spectra of published model compounds.

On the Generation of Intermediate Number Squeezed State of the Quantized Radiation Field

Science.gov (United States)

Baseia, B.; de Lima, A. F.; Bagnato, V. S.

Recently, a new state of the quantized radiation field — the intermediate number squeezed state (INSS) — has been introduced in the literature: it interpolates between the number state |n> and the squeezed state |z, α>=Ŝ(z)|α>, and exhibits interesting nonclassical properties as antibunching, sub-Poissonian statistics and squeezing. Here we introduce a slight modification in the previous definition allowing us a proposal to generate the INSS. Nonclassical properties using a new set of parameters are also studied.

Intermediate Temperature Steam Electrolysis with Phosphate-Based Electrolytes

DEFF Research Database (Denmark)

Prag, Carsten Brorson

as the technological issues and challenges faced. A setup suitable for intermediate temperature electrolysis has been constructed in order to accommodate testing in the IT region. This included the evaluation of multiple generations of components such as end plates and flow plates. Chemical vapour deposition...... treatment step of the synthesis. It was found that initial heating of the synthesis precursors to 270 _C gave a high quality sample in a reproducible fashion. Investigations of two additional novel phosphates was attempted. These were phosphoric acid treated Nb5P7O30 and a mixture of Bi2P4O13, BiPO4 and 2...

Photocatalytic mineralization of codeine by UV-A/TiO{sub 2}—Kinetics, intermediates, and pathways

Energy Technology Data Exchange (ETDEWEB)

Kuo, Chin-Sheng [Graduate Institute of Environmental Engineering, National Taiwan University, Taipei 106, Taiwan, ROC (China); Lin, Cheng-Fang, E-mail: cflin@ntu.edu.tw [Graduate Institute of Environmental Engineering, National Taiwan University, Taipei 106, Taiwan, ROC (China); Hong, Pui-Kwan Andy [Department of Civil and Environmental Engineering, University of Utah, Salt Lake City, UT 84112 (United States)

2016-01-15

Highlights: • Codeine was completely removed in 30 min under irradiated UV-A/TiO{sub 2}. • Codeine was mineralized in 90 min with near complete N conversion to NH{sub 4}{sup +} and NO{sub 3}{sup −}. • Morphine was authenticated and four others were identified as intermediates. • Degradation proceeded via ipso-substitution and hydroxylation of the aromatic ring. - Abstract: This study investigated the photocatalytic degradation of codeine by UV-irradiated TiO{sub 2}. The degradation kinetics was determined under varied conditions including the TiO{sub 2} loading, codeine concentration, and pH. Codeine and several reaction intermediates including morphine were identified and tracked during degradation using HPLC/MS–MS technique, along with TOC and IC measurements. Specifically, removal of 100 μg/L of spike codeine was complete in 3 min by contact with a 0.1 g/L suspension of TiO{sub 2} under UV irradiation at pH 7. The degradation kinetics of codeine was first-order with respect to both the catalyst TiO{sub 2} and the reactant codeine, with enhanced reaction rates with increasing pH up to pH 9. Mineralization of codeine was possible upon prolonged contact; near complete mineralization of 10 mg/L of codeine was achieved in 90 min with 0.1 g/L TiO{sub 2} under irradiation at pH 5, during which the organic nitrogen was converted to NH{sub 3}-N (74%) and NO{sub 3}-N (22%). Based on the identified intermediates, two degradation pathways were proposed of which one involved ipso-substitution followed by cleavage of the aromatic ring and another involved repeated hydroxylation of the codeine molecule followed by its fragmentation.

Zethrenes, Extended p -Quinodimethanes, and Periacenes with a Singlet Biradical Ground State

KAUST Repository

Sun, Zhe

2014-08-19

ConspectusResearchers have studied polycyclic aromatic hydrocarbons (PAHs) for more than 100 years, and most PAHs in the neutral state reported so far have a closed-shell electronic configuration in the ground state. However, recent studies have revealed that specific types of polycyclic hydrocarbons (PHs) could have a singlet biradical ground state and exhibit unique electronic, optical, and magnetic activities. With the appropriate stabilization, these new compounds could prove useful as molecular materials for organic electronics, nonlinear optics, organic spintronics, organic photovoltaics, and energy storage devices. However, before researchers can use these materials to design new devices, they need better methods to synthesize these molecules and a better understanding of the fundamental relationship between the structure and biradical character of these compounds and their physical properties. Their biradical character makes these compounds difficult to synthesize. These compounds are also challenging to physically characterize and require the use of various experimental techniques and theoretic methods to comprehensively describe their unique properties.In this Account, we will discuss the chemistry and physics of three types of PHs with a significant singlet biradical character, primarily developed in our group. These structures are zethrenes, Z-shaped quinoidal hydrocarbons; hydrocarbons that include a proaromatic extended p-quinodimethane unit; and periacenes, acenes fused in a peri-Arrangement. We used a variety of synthetic methods to prepare these compounds and stabilized them using both thermodynamic and kinetic approaches. We probed their ground-state structures by electronic absorption, NMR, ESR, SQUID, Raman spectroscopy, and X-ray crystallography and also performed density functional theory calculations. We investigated the physical properties of these PHs using various experimental methods such as one-photon absorption, two-photon absorption

Prediction of isotope effects for anticipated intermediate structures in the course of bacterial denitrification

International Nuclear Information System (INIS)

Morgenstern, M.A.; Schowen, R.L.

1989-01-01

Vibrational-analysis methods have been used to estimate the equilibrium 14 N/ 15 N isotope effects to be expected for conversion of nitrite anion to thirteen possible intermediate-state and product-state structures [HONO, NO + , NO, NO - , FeNO, ON * NO 2 , O * NNO 2 , O 2 NNO 2 , ONO * N, O * NON, ONNO, * NNO, N * NO] in the reduction of nitrite ion to nitrous oxide denitrifying bacteria. The results, taken in combination with previous experimental isotope-effect and tracer studies of the Pseudomonas stutzeri and related systems, are consistent with a suggestion that a second nitrite anion enters the enzyme-catalytic cycle at the stage of a nitrosyl-ion intermediate but re-emerges after entry of the reducing electrons; the product nitrous oxide is then formed by disproportionation of enzymically generated hyponitrous acid. The calculations are consistent with contributions, under different experimental conditions, of several different transition states to limiting the rate of the enzymic reaction. These transition states (and the corresponding experimental conditions) are the transition states for N-O fission in the generation of a mononitrogen electrophilic species from nitrite anion (high reductant, high nitrite concentrations), for attack of nitrite on this electrophile (high reductant, low nitrite concentrations) and for electron transfer to a dinitrogen-trioxide-like species (low reductant concentration). (orig.)

Surface intermediates on metal electrodes at high temperatures

DEFF Research Database (Denmark)

Zachau-Christiansen, Birgit; Jacobsen, Torben; Bay, Lasse

1998-01-01

The mechanisms widely conceived for the O(2)-reduction or H(2)-oxidation reactions in SOFC's involve intermediate O/H species adsorbed on the electrode surface. The presence of these intermediates is investigated by linear sweep voltammetry. In air at moderate temperatures (500 degrees C) Pt...

Surface Intermediates on Metal Electrodes at High Temperature

DEFF Research Database (Denmark)

Zachau-Christiansen, Birgit; Jacobsen, Torben; Bay, Lasse

1997-01-01

The mechanisms widely suggested for the O2-reduc-tion or H2-oxidation SOFC reactions involve inter-mediate O/H species adsorbed on the electrode surface. The presence of these intermediates is investigated by linear sweep voltammetry. In airat moderate temperatures (500øC) Pt in contact with YSZ...

RuO4-mediated oxidation of secondary amines: Part 1. Are hydroxylamines main intermediates?

Directory of Open Access Journals (Sweden)

Florea Cristina A.

2016-01-01

Full Text Available The RuO4-catalyzed oxidation of secondary amines Bn-NH-CH2R (1a-b; R=H, Me gave mainly amides, but minute amounts of nitrones PhCH=N(O-CH2R (9a-b and traces of Bn-N(OH-CH2R (R=H, 4a were also detected. In the presence of cyanide, up to 22 reaction products were identified, but mainly α-aminonitriles. Comparison of the oxidation products of 1a-b with those of 4a-b, 9a-b, and Bn-N(O=CHR (10a-b showed that 4a-b cannot be main reaction intermediates formed from 1a-b.

Transverse acoustic phonon anomalies at intermediate wave vectors in MgV2O4

Science.gov (United States)

Weber, T.; Roessli, B.; Stock, C.; Keller, T.; Schmalzl, K.; Bourdarot, F.; Georgii, R.; Ewings, R. A.; Perry, R. S.; Böni, P.

2017-11-01

Magnetic spinels (with chemical formula A X2O4 , with X a 3 d transition metal ion) that also have an orbital degeneracy are Jahn-Teller active and hence possess a coupling between spin and lattice degrees of freedom. At high temperatures, MgV2O4 is a cubic spinel based on V3 + ions with a spin S =1 and a triply degenerate orbital ground state. A structural transition occurs at TOO=63 K to an orbitally ordered phase with a tetragonal unit cell followed by an antiferromagnetic transition of TN=42 K on cooling. We apply neutron spectroscopy in single crystals of MgV2O4 to show an anomaly for intermediate wave vectors at TOO associated with the acoustic phonon sensitive to the shear elastic modulus (C11-C12)/2 . On warming, the shear mode softens for momentum transfers near close to half the Brillouin zone boundary, but recovers near the zone center. High resolution spin-echo measurements further illustrate a temporal broadening with increased temperature over this intermediate range of wave vectors, indicative of a reduction in phonon lifetime. A subtle shift in phonon frequencies over the same range of momentum transfers is observed with magnetic fields. We discuss this acoustic anomaly in context of coupling to orbital and charge fluctuations.

Multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution as a mechanism to generate intermediate band energy levels

Science.gov (United States)

Rodríguez-Magdaleno, K. A.; Pérez-Álvarez, R.; Martínez-Orozco, J. C.; Pernas-Salomón, R.

2017-04-01

In this work the generation of an intermediate band of energy levels from multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution is reported. Within the effective mass approximation the electronic structure of a GaAs spherical quantum-dot surrounded by one, two and three shells is studied in detail using a numerically stable transfer matrix method. We found that a shells-size distribution characterized by continuously wider GaAs domains is a suitable mechanism to generate the intermediate band whose width is also dependent on the Aluminium concentration x. Our results suggest that this effective mechanism can be used for the design of wider intermediate band than reported in other quantum systems with possible solar cells enhanced performance.

Comparison of bitumen and cement immobilization of intermediate- and low-level radioactive waste

International Nuclear Information System (INIS)

Voss, J.W.

1979-01-01

This paper discusses a systems comparison of two available immobilization processes for intermediate- and low-level radioactive wastes -- bitumen and cement. This study examines a conceptual coprocessed UO 2 - PuO 2 fuel cycle. Radioactive wastes are generated at each stage of this fuel cycle. This study focuses on these transuranic (TRU) wastes generated at a conceptual Fuel Coprocessing Facility. In this report, these wastes are quantified, the immobilization systems conceptualized to process these wastes are presented, and a comparison of the systems is made

Using Peephole Optimization on Intermediate Code

NARCIS (Netherlands)

Tanenbaum, A.S.; van Staveren, H.; Stevenson, J.W.

1982-01-01

Many portable compilers generate an intermediate code that is subsequently translated into the target machine's assembly language. In this paper a stack-machine-based intermediate code suitable for algebraic languages (e.g., PASCAL, C, FORTRAN) and most byte-addressed mini- and microcomputers is

In Situ Fluorine Doping of TiO2 Superstructures for Efficient Visible-Light Driven Hydrogen Generation.

Science.gov (United States)

Zhang, Peng; Tachikawa, Takashi; Fujitsuka, Mamoru; Majima, Tetsuro

2016-03-21

With the aid of breakthroughs in nanoscience and nanotechnology, it is imperative to develop metal oxide semiconductors through visible light-driven hydrogen generation. In this study, TiOF2 was incorporated as an n-type F-dopant source to TiO2 mesocrystals (TMCs) with visible-light absorption during the topotactic transformation. The crystal growth, structural change, and dynamic morphological evolution, from the initial intermediate NH4 TiOF3 to HTiOF3, TiOF2, and F-doped TMCs, were verified through in situ temperature-dependent techniques to elucidate the doping mechanism from intermediate TiOF2. The visible-light efficiencies of photocatalytic hydrogen were dependent on the contents of the dopant as compared with the pure TMC and a controled reference. Using femtosecond time-resolved diffuse reflectance spectroscopy, the charge-transfer dynamics were monitored to confirm the improvement of charge separation after doping. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Estimation of intermediate grade uranium resources. Final report

International Nuclear Information System (INIS)

Lambie, F.W.; Kendall, G.R.; Klahn, L.J.; Davis, J.C.; Harbaugh, J.W.

1980-12-01

The purpose of this project is to analyze the technique currently used by DOE to estimate intermediate grade uranium (0.01 to 0.05% U 3 O 8 ) and, if possible, suggest alternatives to improve the accuracy and precision of the estimate. There are three principal conclusions resulting from this study. They relate to the quantity, distribution and sampling of intermediate grade uranium. While the results of this study must be validated further, they indicate that DOE may be underestimating intermediate level reserves by 20 to 30%. Plots of grade of U 3 O 8 versus tonnage of ore and tonnage U 3 O 8 indicate grade-tonnage relationships that are essentially log-linear, at least down to 0.01% U 3 O 8 . Though this is not an unexpected finding, it may provide a technique for reducing the uncertainty of intermediate grade endowment. The results of this study indicate that a much lower drill hole density is necessary for DOE to estimate uranium resources than for a mining company to calculate ore resources. Though errors in local estimates will occur, they will tend to cancel over the entire deposit

Micronúcleo: um importante marcador biológico intermediário na prevenção do câncer bucal =Micronuclei: an important intermediate biomarker on oral cancer prevention

Directory of Open Access Journals (Sweden)

Andrade, Miguel Gustavo Setúbal et al.

2005-01-01

Full Text Available A preocupação com a prevenção do câncer da boca e da orofaringe tem motivado diversos estudos epidemiológicos que, apesar de serem úteis em identificar fatores de risco, os indivíduos da amostra já tinham desenvolvido a neoplasia maligna. Outros estudos são conduzidos para investigar a incidência de leucoplasias e segundo tumor primário em indivíduos submetidos a um determinado agente de prevenção. Nesses estudos, entretanto, as alterações celulares são constatadas num momento avançado. Este trabalho se propõe a discutir o papel do micronúcleo, uma alteração cromossômica capaz de refletir a exposição dos indivíduos a carcinógenos, como marcador biológico intermediário na prevenção do câncer bucal e na avaliação de estudos prospectivos. The concern with the prevention of mouth and oropharynx cancer has motivated epidemiological studies that, although useful on identify risk factors, the individuals of the sample had already developed the malignant neoplasia. Other studies are lead to verify the incidence of leucoplasias and second primary tumors in individuals submitted to a specific prevention agent. In these studies, however, cellular alterations are evidenced at an advanced stage. This work is proposed to argue the role of micronuclei, a chromosomal alteration able to reflect carcinogen exposition of an individual, as intermediate biomarker in the prevention of oral cancer and in the evaluation of prospective studies.

INTERMEDIATE STAGES OF REACTIONS FORMING CARBIDES OF TITANIUM, ZIRCONIUM, VANADIUM, NIOBIUM, AND TANTALIUM

Science.gov (United States)

intermediate and final products, and also during the calculation of approximate heat values of their formation, the passage of the reaction is confirmed...for obtaining TiC, and ZrC through the stage of intermediate oxides Ti2O3, Ti3O5, TiO and Zr2O3, ZrO, respectively and also for the reaction of...forming carbides of V (from V2O3 + 5C), of Nb and Ta (from Nb2O5 + 7C and Ta205 + 7C) through the stage of intermediate oxides VO, V4O and TaO2, Ta4O. The

Zn-Fe-CNTs catalytic in situ generation of H2O2 for Fenton-like degradation of sulfamethoxazole.

Science.gov (United States)

Liu, Yong; Fan, Qin; Wang, Jianlong

2018-01-15

A novel Fenton-like catalyst (Zn-Fe-CNTs) capable of converting O 2 to H 2 O 2 and further to OH was prepared through infiltration fusion method followed by chemical replacement in argon atmosphere. The catalyst was characterized by SEM, EDS, TEM, XRD and XPS. The reaction between Zn-Fe-CNTs and O 2 in aqueous solution could generate H 2 O 2 in situ, which was further transferred to OH. The Fenton-like degradation of sulfamethoxazole (SMX) using Zn-Fe-CNTs as catalyst was evaluated. The results indicated that Zn-Fe-CNTs had a coral porous structure with a BET area of 51.67m 2 /g, exhibiting excellent adsorption capacity for SMX, which enhanced its degradation. The particles of Zn 0 and Fe 0 /Fe 2 O 3 were observed on the surface of Zn-Fe-CNTs. The mixture of Zn 0 and CNTs could reduce O 2 into H 2 O 2 by micro-electrolysis and Fe 0 /Fe 2 O 3 could catalyze in-situ generation of H 2 O 2 to produce OH through Fenton-like process. When initial pH=1.5, T=25°C, O 2 flow rate=400mL/min, Zn-Fe-CNTs=0.6g/L, SMX=25mg/L and reaction time=10min, the removal efficiency of SMX and TOC was 100% and 51.3%, respectively. The intermediates were detected and the possible pathway of SMX degradation and the mechanism of Zn-Fe-CNTs/O 2 process were tentatively proposed. Copyright © 2017 Elsevier B.V. All rights reserved.

Detection and Identification of the Keto-Hydroperoxide (HOOCH 2 OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

KAUST Repository

Moshammer, Kai

2015-07-16

In this paper we report the detection and identification of the keto-hydroperoxide (hydroperoxymethyl formate, HPMF, HOOCH2OCHO) and other partially oxidized intermediate species arising from the low-temperature (540 K) oxidation of dimethyl ether (DME). These observations were made possible by coupling a jet-stirred reactor with molecular-beam sampling capabilities, operated near atmospheric pressure, to a reflectron time-of-flight mass spectrometer that employs single-photon ionization via tunable synchrotron-generated vacuum-ultraviolet radiation. On the basis of experimentally observed ionization thresholds and fragmentation appearance energies, interpreted with the aid of ab initio calculations, we have identified HPMF and its conceivable decomposition products HC(O)O(O)CH (formic acid anhydride), HC(O)OOH (performic acid), and HOC(O)OH (carbonic acid). Other intermediates that were detected and identified include HC(O)OCH3 (methyl formate), cycl-CH2-O-CH2-O- (1,3-dioxetane), CH3OOH (methyl hydroperoxide), HC(O)OH (formic acid), and H2O2 (hydrogen peroxide). We show that the theoretical characterization of multiple conformeric structures of some intermediates is required when interpreting the experimentally observed ionization thresholds, and a simple method is presented for estimating the importance of multiple conformers at the estimated temperature (∼100 K) of the present molecular beam. We also discuss possible formation pathways of the detected species: for example, supported by potential energy surface calculations, we show that performic acid may be a minor channel of the O2 + CH2OCH2OOH reaction, resulting from the decomposition of the HOOCH2OCHOOH intermediate, which predominantly leads to the HPMF. © 2015 American Chemical Society.

Premature failure of dissimilar metal weld joint at intermediate temperature superheater tube

OpenAIRE

Al Hajri, Mohammed; Malik, Anees U.; Meroufel, Abdelkader; Al-Muaili, Fahd

2015-01-01

Dissimilar metal weld (DMW) joint between alloyed steel (AS) and stainless steel (SS) failed at one of intermediate temperature superheater (ITSH) tube in steam/power generation plant boiler. The premature failure was detected after a relatively short time of operation (8 years) where the crack propagated circumferentially from AS side through the ITSH tube. Apart from physical examination, microstructural studies based on optical microscopy, SEM and EDX analysis were performed. The results o...

Phase equilibria, crystal structure and oxygen content of intermediate phases in the Y-Ba-Co-O system

OpenAIRE

Urusova, A. S.; Cherepanov, V. A.; Aksenova, T. V.; Gavrilova, L. Y.; Kiselev, E. A.

2013-01-01

The phase equilibria in the Y-Ba-Co-O system were systematically studied at 1373 K in air. The intermediate phases formed in the Y-Ba-Co-O system at 1373 K in air were: YBaCo2O5+δ, YBaCo4O 7 and BaCo1-yYyO3-δ (0.09≤y≤0.42). It was shown that YBaCo2O5+δ possesses tetragonal structure with the 3ap×3a p×2ap superstructure (sp. gr. P4/mmm). High-temperature X-ray diffraction analysis of the YBaCo2O 5+δ in the temperature range from 298 K up to 1073 K under Po2=0.21 atm has not shown any phase tra...

Ocorrência no Brasil de Thiara (Melanoides tuberculata (O.F. Muller, 1774 (Gastropoda, Prosobranchia, primeiro hospedeiro intermediário de Clonorchis sinensis (Cobbold, 1875 (Trematoda, Plathyhelmintes Occurrence of Thiara (Melanoides tuberculata (O.F. Mullher, 1774 (Gastropoda, Prosobranchia in Brazil, first intermediate host of Clonorchis sinensis (Cobbold, 1875 (Trematoda, Plathyhelmintes

Directory of Open Access Journals (Sweden)

Jorge Faria Vaz

1986-08-01

Full Text Available Relata-se a introdução em nosso meio de Thiara (Melanoides tuberculata possivelmente anterior a 1967, quando pela primeira vez foi coletada em Santos. Essa espécie pode comportar-se como primeiro hospedeiro intermediário de Paragonimus westermani e de Clonorchis sinensis. Somente o último trematódeo tem alguma possibilidade de vir a parasitar o homem, em nosso meio.Introduction of Thiara (Melanoides tuberculata in Brazil, is reported. This introduction may go back prior to 1967 when some specimens were collected at Santos, S.Paulo (Brazil. T. (M. tuberculata is an intermediate host of Paragonimus westermani and Clonorchis sinensis, both pathogenic for man. Only this last trematode has some potential for human infection in Brazil.

Water oxidation by photosystem II: H(2)O-D(2)O exchange and the influence of pH support formation of an intermediate by removal of a proton before dioxygen creation.

Science.gov (United States)

Gerencsér, László; Dau, Holger

2010-11-30

Understanding the chemistry of photosynthetic water oxidation requires deeper insight into the interrelation between electron transfer (ET) and proton relocations. In photosystem II membrane particles, the redox transitions of the water-oxidizing Mn complex were initiated by nanosecond laser flashes and monitored by absorption spectroscopy at 360 nm (A(360)). In the oxygen evolution transition (S(3) + hν → S(0) + O(2)), an exponential decrease in A(360) (τ(O(2)) = 1.6 ms) can be assigned to Mn reduction and O(2) formation. The corresponding rate-determining step is the ET from the Mn complex to a tyrosine radical (Y(Z)(ox)). We find that this A(360) decrease is preceded by a lag phase with a duration of 170 ± 40 μs (τ(lag) at pH 6.2), indicating formation of an intermediate before ET and O-O bond formation and corroborating results obtained by time-resolved X-ray spectroscopy. Whereas τ(O(2)) exhibits a minor kinetic isotope effect and negligible pH dependence, formation of the intermediate is slowed significantly both in D(2)O (τ(lag) increase of ∼140% in D(2)O) and at low pH (τ(lag) of 30 ± 20 μs at pH 7.0 vs τ(lag) of 470 ± 80 μs at pH 5.5). These findings support the fact that in the oxygen evolution transition an intermediate is created by deprotonation and removal of a proton from the Mn complex, after Y(Z)(ox) formation but before the onset of electron transfer and O-O bond formation.

Low temperature bonding of heterogeneous materials using Al2O3 as an intermediate layer

DEFF Research Database (Denmark)

Sahoo, Hitesh Kumar; Ottaviano, Luisa; Zheng, Yi

2018-01-01

Integration of heterogeneous materials is crucial for many nanophotonic devices. The integration is often achieved by bonding using polymer adhesives or metals. A much better and cleaner option is direct wafer bonding, but the high annealing temperatures required make it a much less attractive...... atomic layer deposited Al2O3 an excellent choice for the intermediate layer. The authors have optimized the bonding process to achieve a high interface energy of 1.7 J/m2 for a low temperature annealing of 300 °C. The authors also demonstrate wafer bonding of InP to SiO2 on Si and GaAs to sapphire using...

Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates**

Science.gov (United States)

Draksharapu, Apparao; Angelone, Davide; Quesne, Matthew G; Padamati, Sandeep K; Gómez, Laura; Hage, Ronald; Costas, Miquel; Browne, Wesley R; de Visser, Sam P

2015-01-01

FeIII–hypohalite complexes have been implicated in a wide range of important enzyme-catalyzed halogenation reactions including the biosynthesis of natural products and antibiotics and post-translational modification of proteins. The absence of spectroscopic data on such species precludes their identification. Herein, we report the generation and spectroscopic characterization of nonheme FeIII–hypohalite intermediates of possible relevance to iron halogenases. We show that FeIII-OCl polypyridylamine complexes can be sufficiently stable at room temperature to be characterized by UV/Vis absorption, resonance Raman and EPR spectroscopies, and cryo-ESIMS. DFT methods rationalize the pathways to the formation of the FeIII-OCl, and ultimately FeIV=O, species and provide indirect evidence for a short-lived FeII-OCl intermediate. The species observed and the pathways involved offer insight into and, importantly, a spectroscopic database for the investigation of iron halogenases. PMID:25663379

Rhodium(I)-catalyzed cyclization of allenynes with a carbonyl group through unusual insertion of a C-O bond into a rhodacycle intermediate.

Science.gov (United States)

Oonishi, Yoshihiro; Yokoe, Takayuki; Hosotani, Akihito; Sato, Yoshihiro

2014-01-20

Rhodium(I)-catalyzed cyclization of allenynes with a tethered carbonyl group was investigated. An unusual insertion of a CO bond into the C(sp(2) )-rhodium bond of a rhodacycle intermediate occurs via a highly strained transition state. Direct reductive elimination from the obtained rhodacyle intermediate proceeds to give a tricyclic product containing an 8-oxabicyclo[3.2.1]octane skeleton, while β-hydride elimination from the same intermediate gives products that contain fused five- and seven-membered rings in high yields. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates during Low-Temperature Oxidation of Dimethyl Ether

KAUST Repository

Moshammer, Kai

2016-09-17

This work provides new temperature-dependent mole fractions of elusive intermediates relevant to the low-temperature oxidation of dimethyl ether (DME). It extends the previous study of Moshammer et al. [ J. Phys. Chem. A 2015, 119, 7361–7374] in which a combination of a jet-stirred reactor and molecular beam mass spectrometry with single-photon ionization via tunable synchrotron-generated vacuum-ultraviolet radiation was used to identify (but not quantify) several highly oxygenated species. Here, temperature-dependent concentration profiles of 17 components were determined in the range of 450–1000 K and compared to up-to-date kinetic modeling results. Special emphasis is paid toward the validation and application of a theoretical method for predicting photoionization cross sections that are hard to obtain experimentally but essential to turn mass spectral data into mole fraction profiles. The presented approach enabled the quantification of the hydroperoxymethyl formate (HOOCH2OCH2O), which is a key intermediate in the low-temperature oxidation of DME. The quantification of this keto-hydroperoxide together with the temperature-dependent concentration profiles of other intermediates including H2O2, HCOOH, CH3OCHO, and CH3OOH reveals new opportunities for the development of a next-generation DME combustion chemistry mechanism.

Primary photodissociation pathways of epichlorohydrin and analysis of the C-C bond fission channels from an O(3P)+allyl radical intermediate

International Nuclear Information System (INIS)

FitzPatrick, Benjamin L.; Alligood, Bridget W.; Butler, Laurie J.; Lee, Shih-Huang; Lin, Jim Jr-Min

2010-01-01

This study initially characterizes the primary photodissociation processes of epichlorohydrin, c-(H 2 COCH)CH 2 Cl. The three dominant photoproduct channels analyzed are c-(H 2 COCH)CH 2 +Cl, c-(H 2 COCH)+CH 2 Cl, and C 3 H 4 O+HCl. In the second channel, the c-(H 2 COCH) photofission product is a higher energy intermediate on C 2 H 3 O global potential energy surface and has a small isomerization barrier to vinoxy. The resulting highly vibrationally excited vinoxy radicals likely dissociate to give the observed signal at the mass corresponding to ketene, H 2 CCO. The final primary photodissociation pathway HCl+C 3 H 4 O evidences a recoil kinetic energy distribution similar to that of four-center HCl elimination in chlorinated alkenes, so is assigned to production of c-(H 2 COC)=CH 2 ; the epoxide product is formed with enough vibrational energy to isomerize to acrolein and dissociate. The paper then analyzes the dynamics of the C 3 H 5 O radical produced from C-Cl bond photofission. When the epoxide radical photoproduct undergoes facile ring opening, it is the radical intermediate formed in the O( 3 P)+allyl bimolecular reaction when the O atom adds to an end C atom. We focus on the HCO+C 2 H 4 and H 2 CO+C 2 H 3 product channels from this radical intermediate in this report. Analysis of the velocity distribution of the momentum-matched signals from the HCO+C 2 H 4 products at m/e=29 and 28 shows that the dissociation of the radical intermediate imparts a high relative kinetic energy, peaking near 20 kcal/mol, between the products. Similarly, the energy imparted to relative kinetic energy in the H 2 CO+C 2 H 3 product channel of the O( 3 P)+allyl radical intermediate also peaks at high-recoil kinetic energies, near 18 kcal/mol. The strongly forward-backward peaked angular distributions and the high kinetic energy release result from tangential recoil during the dissociation of highly rotationally excited nascent radicals formed photolytically in this experiment

Primary photodissociation pathways of epichlorohydrin and analysis of the C-C bond fission channels from an O(3P)+allyl radical intermediate

Science.gov (United States)

FitzPatrick, Benjamin L.; Alligood, Bridget W.; Butler, Laurie J.; Lee, Shih-Huang; Lin, Jim-Min, Jr.

2010-09-01

This study initially characterizes the primary photodissociation processes of epichlorohydrin, c-(H2COCH)CH2Cl. The three dominant photoproduct channels analyzed are c-(H2COCH)CH2+Cl, c-(H2COCH)+CH2Cl, and C3H4O+HCl. In the second channel, the c-(H2COCH) photofission product is a higher energy intermediate on C2H3O global potential energy surface and has a small isomerization barrier to vinoxy. The resulting highly vibrationally excited vinoxy radicals likely dissociate to give the observed signal at the mass corresponding to ketene, H2CCO. The final primary photodissociation pathway HCl+C3H4O evidences a recoil kinetic energy distribution similar to that of four-center HCl elimination in chlorinated alkenes, so is assigned to production of c-(H2COC)=CH2; the epoxide product is formed with enough vibrational energy to isomerize to acrolein and dissociate. The paper then analyzes the dynamics of the C3H5O radical produced from C-Cl bond photofission. When the epoxide radical photoproduct undergoes facile ring opening, it is the radical intermediate formed in the O(P3)+allyl bimolecular reaction when the O atom adds to an end C atom. We focus on the HCO+C2H4 and H2CO+C2H3 product channels from this radical intermediate in this report. Analysis of the velocity distribution of the momentum-matched signals from the HCO+C2H4 products at m/e=29 and 28 shows that the dissociation of the radical intermediate imparts a high relative kinetic energy, peaking near 20 kcal/mol, between the products. Similarly, the energy imparted to relative kinetic energy in the H2CO+C2H3 product channel of the O(P3)+allyl radical intermediate also peaks at high-recoil kinetic energies, near 18 kcal/mol. The strongly forward-backward peaked angular distributions and the high kinetic energy release result from tangential recoil during the dissociation of highly rotationally excited nascent radicals formed photolytically in this experiment. The data also reveal substantial branching to an HCCH+H3

Oxygen evolution from BF3/MnO4-.

Science.gov (United States)

Yiu, Shek-Man; Man, Wai-Lun; Wang, Xin; Lam, William W Y; Ng, Siu-Mui; Kwong, Hoi-Ki; Lau, Kai-Chung; Lau, Tai-Chu

2011-04-14

MnO(4)(-) is activated by BF(3) to undergo intramolecular coupling of two oxo ligands to generate O(2). DFT calculations suggest that there should be a spin intercrossing between the singlet and triplet potential energy surfaces on going from the active intermediate [MnO(2)(OBF(3))(2)](-) to the O···O coupling transition state.

Synthesis of 4-O-glycosylated 1,5-anhydro-D-fructose and of 1,5-anhydro-D-tagatose from a common intermediate 2,3-O-isopropylidene -D-fructose

DEFF Research Database (Denmark)

Agoston, Karoly; Dekany, Gyula; Lundt, Inge

2009-01-01

Four novel disaccharides of glycosylated 1,5-anhydro-D-ketoses have been prepared: 1,5-anhydro-4-O-b-D-glucopyranosyl-D-fructose, 1,5-anhydro-4-O-b-D-galactopyranosyl-D-fructose, 1,5-anhydro-4-O-b-D-glucopyranosyl-D-tagatose and 1,5-anhydro-4-O-b-D-galactopyranosyl-D-tagatose. The common...... intermediate, 1,5-anhydro-2,3-O-isopropylidene-b-D-fructopyranose, was prepared from D-fructose and converted into the D-tagatose derivative by oxidation followed by stereoselective reduction to the 4-epimer. The prepared anhydro-ketoses were glycosylated and deprotected to the disaccharides....

Synthesis of 4-O-glycosylated 1,5-anhydro-D-fructose and of 1,5-anhydro-D-tagatose from a common intermediate 2,3-O-isopropylidene-D-fructose.

Science.gov (United States)

Agoston, Károly; Dékány, Gyula; Lundt, Inge

2009-05-26

Four novel disaccharides of glycosylated 1,5-anhydro-D-ketoses have been prepared: 1,5-anhydro-4-O-beta-D-glucopyranosyl-D-fructose, 1,5-anhydro-4-O-beta-D-galactopyranosyl-D-fructose, 1,5-anhydro-4-O-beta-D-glucopyranosyl-D-tagatose, and 1,5-anhydro-4-O-beta-D-galactopyranosyl-D-tagatose. The common intermediate, 1,5-anhydro-2,3-O-isopropylidene-beta-D-fructopyranose, was prepared from D-fructose and was converted into the D-tagatose derivative by oxidation followed by stereoselective reduction to the 4-epimer. The anhydroketoses thus prepared were glycosylated and deprotected to give the disaccharides.

Structural study of intermediate phase in layered perovskite SrBi sub 2 Ta sub 2 O sub 9 single crystal

CERN Document Server

Onodera, A; Yamashita, H

2003-01-01

The crystal structure of an intermediate phase of Bi-layered ferroelectric SrBi sub 2 Ta sub 2 O sub 9 single crystals was studied by means of X-ray diffraction. An analysis of the extinction rules and X-ray intensities demonstrated that the crystal structure is orthorhombic with space group A2 sub 1 am in the ferroelectric phase and Amam in the intermediate phase; this conclusion is in good agreement with the findings of previous powder neutron diffraction studies.

Lentes progressivas: análise dos campos intermediário e de perto por deflexometria

Directory of Open Access Journals (Sweden)

Celso Marcelo Cunha

2013-02-01

Full Text Available OBJETIVO: Avaliar por deflexometria as diferentes regiões das lentes progressivas e determinar as áreas dos campos de visão intermediário e de perto. MÉTODOS: Foram incluídas vinte e duas lentes progressivas com poder +1,00 DE para longe e duas adições diferentes (adição 1,00 e 2,00, 11 de cada. Mediram-se as áreas dos campos intermediário e de perto entre as isoastigmáticas de 0,5 DC. RESULTADOS: Encontraram-se diferenças significativas entre as áreas dos campos intermediário e de perto das lentes estudadas. Entre a área do campo intermediário e a adição observou-se correlação inversa; entre a área do campo intermediário e a extensão vertical do corredor encontrou-se correlação direta. CONCLUSÃO: Com esses dados permitem-se recomendar as lentes de acordo com o campo de maior necessidade visual de cada usuário.

Targeted Molecular Dynamics to determine Focal Adhesion Targeting Domain Folding Intermediates

Directory of Open Access Journals (Sweden)

Pallavi Mohanty

2017-10-01

Full Text Available The Focal adhesion kinase (FAT domain of Focal Adhesion Kinase is a four helical bundle known for conformational plasticity. FAT adopts two distinctly different conformations i.e., close (cFAT and arm-exchanged (aeFAT states under native conditions [1]. The slow transition from cFAT to aeFAT is likely to proceed through an open intermediate state that allows YENV motif to attain β-turn conformation and phosphorylation of Y925 by Src kinases [2]. The two end states of FAT are known to interact with Paxillin and are responsible for maintaining steady state in Heart while intermediate conformation interacts with Grb2-SH2 leading to Pathological Cardiac Hypertrophy (PAH [2]. 10ns Targeted Molecular Dynamics (TMD was done between c- and aeFAT in order to explore the conformational transition and to capture pathologically relevant oFAT. Cluster and dynamic cross correlation analysis (DCCA of TMD generated trajectory was done and the selected FAT intermediate was docked with Grb2-SH2 using HADDOCK v2.2 docking followed by molecular dynamics. Conservation analysis of FAT-Grb2 binding site was done using CONSURF [3]. A Pharmacophore FAT-Grb2 complex was generated using SPARKv1.2 and submitted for Virtual screening using BLAZE v4. Drug likeliness and ADMET properties were calculated using MOLINSPIRATION tool. TMD reveals six clusters and DCCA showed positively and negatively correlated region along the transition pathway. Intermediates with competence for Grb2 interaction were docked with Grb2 and best binding complex was further refined. MMPBSA binding energy calculations revealed the best binding pose where the phosphorylated YENV motif of Human FAT interacted with a charged and hydrophobic pocket of Grb2. The conservation analysis showed that the charged pocket was more conserved in comparison with the hydrophobic pocket, hence providing useful insights on binding and specificity determining residues in Grb2. Virtual screening using the pharmacophore

Photofragment imaging study of the CH2CCH2OH radical intermediate of the OH+allene reaction

International Nuclear Information System (INIS)

Raman, Arjun S.; Justine Bell, M.; Lau, K.-C.; Butler, Laurie J.

2007-01-01

These velocity map imaging experiments characterize the photolytic generation of one of the two radical intermediates formed when OH reacts via an addition mechanism with allene. The CH 2 CCH 2 OH radical intermediate is generated photolytically from the photodissociation of 2-chloro-2-propen-1-ol at 193 nm. Detecting the Cl atoms using [2+1] resonance-enhanced multiphoton ionization evidences an isotropic angular distribution for the Cl+CH 2 CCH 2 OH photofragments, a spin-orbit branching ratio for Cl( 2 P 1/2 ):Cl( 2 P 3/2 ) of 0.28, and a bimodal recoil kinetic energy distribution. Conservation of momentum and energy allows us to determine from this data the internal energy distribution of the nascent CH 2 CCH 2 OH radical cofragment. To assess the possible subsequent decomposition pathways of this highly vibrationally excited radical intermediate, we include electronic structure calculations at the G3//B3LYP level of theory. They predict the isomerization and dissociation transition states en route from the initial CH 2 CCH 2 OH radical intermediate to the three most important product channels for the OH+allene reaction expected from this radical intermediate: formaldehyde+C 2 H 3 , H+acrolein, and ethene+CHO. We also calculate the intermediates and transition states en route from the other radical adduct, formed by addition of the OH to the center carbon of allene, to the ketene+CH 3 product channel. We compare our results to a previous theoretical study of the O+allyl reaction conducted at the CBS-QB3 level of theory, as the two reactions include several common intermediates

Photofragment imaging study of the CH2CCH2OH radical intermediate of the OH +allene reaction

Science.gov (United States)

Raman, Arjun S.; Justine Bell, M.; Lau, Kai-Chung; Butler, Laurie J.

2007-10-01

These velocity map imaging experiments characterize the photolytic generation of one of the two radical intermediates formed when OH reacts via an addition mechanism with allene. The CH2CCH2OH radical intermediate is generated photolytically from the photodissociation of 2-chloro-2-propen-1-ol at 193nm. Detecting the Cl atoms using [2+1] resonance-enhanced multiphoton ionization evidences an isotropic angular distribution for the Cl +CH2CCH2OH photofragments, a spin-orbit branching ratio for Cl(P1/22):Cl(P3/22) of 0.28, and a bimodal recoil kinetic energy distribution. Conservation of momentum and energy allows us to determine from this data the internal energy distribution of the nascent CH2CCH2OH radical cofragment. To assess the possible subsequent decomposition pathways of this highly vibrationally excited radical intermediate, we include electronic structure calculations at the G3//B3LYP level of theory. They predict the isomerization and dissociation transition states en route from the initial CH2CCH2OH radical intermediate to the three most important product channels for the OH +allene reaction expected from this radical intermediate: formaldehyde+C2H3, H +acrolein, and ethene+CHO. We also calculate the intermediates and transition states en route from the other radical adduct, formed by addition of the OH to the center carbon of allene, to the ketene+CH3 product channel. We compare our results to a previous theoretical study of the O +allyl reaction conducted at the CBS-QB3 level of theory, as the two reactions include several common intermediates.

Identification of combustion intermediates in low-pressure premixed pyridine/oxygen/argon flames.

Science.gov (United States)

Tian, Zhenyu; Li, Yuyang; Zhang, Taichang; Zhu, Aiguo; Qi, Fei

2008-12-25

Combustion intermediates of two low-pressure premixed pyridine/oxygen flames with respective equivalence ratios of 0.56 (C/O/N = 1:4.83:0.20) and 2.10 (C/O/N = 1:1.29:0.20) have been identified with tunable synchrotron vacuum ultraviolet (VUV) photoionization and molecular-beam mass spectrometry techniques. About 80 intermediates in the rich flame and 60 intermediates in the lean flame, including nitrogenous, oxygenated, and hydrocarbon intermediates, have been identified by measurements of photoionization mass spectra and photoionization efficiency spectra. Some radicals and new nitrogenous intermediates are identified in the present work. The experimental results are useful for studying the conversion of volatile nitrogen compounds and understanding the formation mechanism of NO(x) in flames of nitrogenous fuels.

Effect of Intermediate Annealing on Microstructure and Property of 5182 Aluminum Alloy Sheet for Automobile

Directory of Open Access Journals (Sweden)

WANG Yu

2016-09-01

Full Text Available Effect of intermediate annealing on the microstructure and properties of 5182 aluminum alloy sheet with full annealed state (5182-O was investigated by means of optical microscope, scanning electron microscope and universal testing machine. The results indicate that compared with 5182-O sheet without intermediate annealing, 5182-O sheet with intermediate annealing possesses too fine grain size, intermetallic compounds not broken enough, larger size intermetallic particles, less dispersed phase. Yield strength and ultimate tensile strength, work hardening exponent and normal anisotropy of plastic strain ratio decrease but planner anisotropy of plastic strain ratio increases. The mechanical properties and forming ability of 5182-O aluminum alloy sheet and its microstructure are not improved significantly after intermediate annealing.

SmBaCoCuO5+x as cathode material based on GDC electrolyte for intermediate-temperature solid oxide fuel cells

International Nuclear Information System (INIS)

Lue Shiquan; Long, Guohui; Ji Yuan; Meng Xiangwei; Zhao Hongyuan; Sun Cuicui

2011-01-01

Research highlights: → We synthesize a new kind of layered perovskite SmBaCoCuO 5+x (SBCCO) as a cathode material of a solid oxide fuel cell. → There are some reports on the performance of cathodes in proton-conducting SOFCs based on BaCe 0.8 Sm 0.2 O 3-δ electrolyte. → However, to the best of our knowledge, the performance of SBCCO cathodes in oxygen-ion conducting SOFCs has not been reported to date. → In this work, the ceramic powder SBCCO is examined as a cathode for IT-SOFCs based on Ce 0.9 Gd 0.1 O 1.95 (GDC) electrolyte. - Abstract: The performance of SmBaCoCuO 5+x (SBCCO) cathode has been investigated for their potential utilization in intermediate-temperature solid oxide fuel cells (IT-SOFCs). The powder X-ray diffraction (XRD), thermal expansion and electrochemical performance on Ce 0.9 Gd 0.1 O 1.95 (GDC) electrolyte are evaluated. XRD results show that there is no chemical reaction between SBCCO cathode and GDC electrolyte when the temperature is below 950 o C. The thermal expansion coefficient (TEC) value of SBCCO is 15.53 x 10 -6 K -1 , which is ∼23% lower than the TEC of the SmBaCo 2 O 5+x (SBCO) sample. The electrochemical impedance spectra reveals that SBCCO symmetrical half-cells by sintering at 950 deg. C has the best electrochemical performance and the area specific resistance (ASR) of SBCCO cathode is as low as 0.086 Ω cm 2 at 800 o C. An electrolyte-supported fuel cell generates good performance with the maximum power density of 517 mW cm -2 at 800 deg. C in H 2 . Preliminary results indicate that SBCCO is promising as a cathode for IT-SOFCs.

Demonstration of high efficiency intermediate-temperature solid oxide fuel cell based on lanthanum gallate electrolyte

International Nuclear Information System (INIS)

Inagaki, Toru; Nishiwaki, Futoshi; Kanou, Jirou; Yamasaki, Satoru; Hosoi, Kei; Miyazawa, Takashi; Yamada, Masaharu; Komada, Norikazu

2006-01-01

The Kansai Electric Power Co., Inc. (KEPCO) and Mitsubishi Materials Corporation (MMC) have been jointly developing intermediate-temperature solid oxide fuel cells (SOFCs). The operation temperatures between 600 and 800 o C were set as the target, which enable SOFC to use less expensive metallic separators for cell-stacking and to carry out internal reforming of hydrocarbon fuels. The electrolyte-supported planar-type cells were fabricated using highly conductive lanthanum gallate-based electrolyte, La(Sr)Ga(Mg,Co)O 3-δ , Ni-(CeO 2 ) 1-x (SmO 1.5 ) x cermet anode, and Sm(Sr)CoO 3-δ cathode. The 1 kW-class power generation modules were fabricated using a seal-less stack of the cells and metallic separators. The 1 kW-class prototype power generation system with the module was developed with the high performance cell, which showed the thermally self-sustainability. The system included an SOFC module, a dc-ac inverter, a desulfurizer, and a heat recovery unit. It provided stable ac power output of 1 kW with the electrical efficiency of 45% LHV based on ac output by using city gas as a fuel, which was considered to be excellent for such a small power generation system. And the hot water of 90 o C was obtained using high temperature off-gas from SOFC

Demonstration of high efficiency intermediate-temperature solid oxide fuel cell based on lanthanum gallate electrolyte

Energy Technology Data Exchange (ETDEWEB)

Inagaki, Toru [Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-chome, Amagasaki, Hyogo 661-0974 (Japan)]. E-mail: inagaki@rdd.kepco.co.jp; Nishiwaki, Futoshi [Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-chome, Amagasaki, Hyogo 661-0974 (Japan); Kanou, Jirou [Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-chome, Amagasaki, Hyogo 661-0974 (Japan); Yamasaki, Satoru [Kansai Electric Power Co. Inc., Energy Use R and D Center, 11-20 Nakoji 3-chome, Amagasaki, Hyogo 661-0974 (Japan); Hosoi, Kei [Mitsubishi Materials Corporation, Central Research Institute, 1002-14 Mukohyama, Naka-machi, Naka-gun, Ibaraki 311-0102 (Japan); Miyazawa, Takashi [Mitsubishi Materials Corporation, Central Research Institute, 1002-14 Mukohyama, Naka-machi, Naka-gun, Ibaraki 311-0102 (Japan); Yamada, Masaharu [Mitsubishi Materials Corporation, Central Research Institute, 1002-14 Mukohyama, Naka-machi, Naka-gun, Ibaraki 311-0102 (Japan); Komada, Norikazu [Mitsubishi Materials Corporation, Central Research Institute, 1002-14 Mukohyama, Naka-machi, Naka-gun, Ibaraki 311-0102 (Japan)

2006-02-09

The Kansai Electric Power Co., Inc. (KEPCO) and Mitsubishi Materials Corporation (MMC) have been jointly developing intermediate-temperature solid oxide fuel cells (SOFCs). The operation temperatures between 600 and 800 {sup o}C were set as the target, which enable SOFC to use less expensive metallic separators for cell-stacking and to carry out internal reforming of hydrocarbon fuels. The electrolyte-supported planar-type cells were fabricated using highly conductive lanthanum gallate-based electrolyte, La(Sr)Ga(Mg,Co)O{sub 3-{delta}}, Ni-(CeO{sub 2}){sub 1-x}(SmO{sub 1.5}) {sub x} cermet anode, and Sm(Sr)CoO{sub 3-{delta}} cathode. The 1 kW-class power generation modules were fabricated using a seal-less stack of the cells and metallic separators. The 1 kW-class prototype power generation system with the module was developed with the high performance cell, which showed the thermally self-sustainability. The system included an SOFC module, a dc-ac inverter, a desulfurizer, and a heat recovery unit. It provided stable ac power output of 1 kW with the electrical efficiency of 45% LHV based on ac output by using city gas as a fuel, which was considered to be excellent for such a small power generation system. And the hot water of 90 {sup o}C was obtained using high temperature off-gas from SOFC.

Positron scattering by atomic hydrogen at intermediate energies

International Nuclear Information System (INIS)

Higgins, K.; Burke, P.G.; Walters, H.R.J.

1990-01-01

Results of an accurate calculation based upon the intermediate energy R-matrix theory are reported for elastic scattering of positrons by atomic hydrogen. T-matrix elements for both low and intermediate energy scattering are evaluated for the S e , P o , D e and F o partial wave symmetries. The low-energy elastic phaseshifts are found to be in good agreement with previous accurate variational calculations. Using an optical potential approach to include the effect of the higher partial waves, elastic and total cross sections are presented for energies ranging from near threshold to 3.7 Rydbergs. (author)

Financial Intermediation and Economic Growth of Jordan 1964-1988

OpenAIRE

Magableh, Ali H.

1995-01-01

Until recently, the economics and financial literature placed little attention on the role that financial intermediation can play in accelerating the rate of economic development in less Developed Countries (LDCs). This has been changed now, however, where some instrumental role has been emphasised for financial intermediation in the process of economic development and growth. It is argued that an expansion of the financial system, size and intermediation in LDCs tends to increase the level o...

Stereoselectivity in catalytic reactions: CO oxidation on Pd(100) by rotationally aligned O2 molecules

Science.gov (United States)

Vattuone, L.; Gerbi, A.; Savio, L.; Cappelletti, D.; Pirani, F.; Rocca, M.

2010-05-01

We report on stereodynamical effects in heterogeneous catalytic reactions as measured by molecular beam-surface experiments. Specifically for CO oxidation on Pd(100) we find that the rotational alignment of the incoming O2 at low (Θ = 0.04 ML) and at intermediate (ΘCO = 0.17 ML) CO pre-coverage, causes a higher reactivity of molecules in high and in low helicity states, respectively (corresponding to helicoptering and cartwheeling motion of O2). In first approximation, at low CO pre-coverage the difference in reactivity is determined by the different location of the O atoms generated in the dissociation process by the different parent molecules, while at intermediate CO pre-coverage the reactivity is influenced also by the different ability of cartwheeling and helicoptering O2 to penetrate through the CO adlayer. In accord with this the total amount of CO2 produced is always largest for helicopters which generate supersurface O atoms at least in the low CO pre-coverage limit. A deeper inspection of the data indicates, however, that the dynamics is more complex, two different pathways being present for the reaction with O generated by helicopters and one for O generated by cartwheels. Moreover, cartwheels generated oxygen influences the reactivity of subsequently arriving helicopters.

Unimolecular fragrmentations of the radical cation of the high-valent organometal oxide CH3ReO3 and its reactivity with ethylene in the gas phase

Science.gov (United States)

Schröder, Detlef; Herrmann, W. A.; Fischer, Richard W.; Schwarz, Helmut

1992-12-01

The unimolecular chemistry of CH3ReO[radical sign]+3 in the gas phase commences with a methyl migration to' generate CH3 OReO[radical sign]+2. This further undergoes multiple hydrogen migration to the metal centre to generate an intermediate which serves as a precursor for the elimination of both molecular hydrogen and of carbon monoxide. If CH3ReO[radical sign]+3 is reacted with ethylene, inter alia products are observed which point to a competition between an intramolecular metathesis reaction of the ethylene-inserted intermediate CH3CH2CH2ReO3[radical sign]+ and epoxidation of ethylene to generate c-C2H4O.

Results of fission product release from intermediate-scale MCCI [molten core-concrete interaction] tests

International Nuclear Information System (INIS)

Spencer, B.W.; Thompson, D.H.; Fink, J.K.; Gunther, W.H.; Sehgal, B.R.

1988-01-01

A program of reactor-material molten core-concrete interaction (MCCI) tests and related analyses are under way at Argonne National Laboratory under sponsorship of the Electric Power Research Institute (EPRI). The particular objective of these tests is to provide data pertaining to the release of nonvolatile fission products such as La, Ba, and Sr, plus other aerosol materials, from the coupled thermal-hydraulic and chemical processes of the MCCI. The first stages of the program involving small and intermediate-scale tests have been completed. Three small-scale tests (/approximately/5 kg corium) and nine intermediate-scale tests (/approximately/30 kg corium) were performed between September 1985 and September 1987. Real reactor materials were used in these tests. Sustained internal heat generation at nominally 1 kW per kg of melt was provided by direct electrical heating of the corium mixture. MCCI tests were performed with both fully and partially oxidized corium mixtures that contained a variety of nonradioactive materials such as La 2 O 3 , BaO, and SrO to represent fission products. Both limestone/common sand and basaltic concrete basemats were used. The system was instrumented for characterization of the thermal hydraulic, chemical, gas release, and aerosol release processes

Benchmarking the expected stack manufacturing cost of next generation, intermediate-temperature protonic ceramic fuel cells with solid oxide fuel cell technology

Science.gov (United States)

Dubois, Alexis; Ricote, Sandrine; Braun, Robert J.

2017-11-01

Recent progress in the performance of intermediate temperature (500-600 °C) protonic ceramic fuel cells (PCFCs) has demonstrated both fuel flexibility and increasing power density that approach commercial application requirements. These developments may eventually position the technology as a viable alternative to solid oxide fuel cells (SOFCs) and molten carbonate fuel cells (MCFCs). The PCFCs investigated in this work are based on a BaZr0.8Y0.2O3-δ (BZY20) thin electrolyte supported by BZY20/Ni porous anodes, and a triple conducting cathode material comprised of BaCo0.4Fe0.4Zr0.1Y0.1O3-δ (BCFZY0.1). These cells are prepared using a low-cost solid-state reactive sintering (SSRS) process, and are capable of power densities of 0.156 W cm-2 at 500 °C operating directly from methane fuel. We develop a manufacturing cost model to estimate the Nth generation production costs of PCFC stack technology using high volume manufacturing processes and compare them to the state-of-the-art in SOFC technology. The low-cost cell manufacturing enabled by the SSRS technique compensates for the lower PCFC power density and the trade-off between operating temperature and efficiency enables the use of lower-cost stainless steel materials. PCFC stack production cost estimates are found to be as much as 27-37% lower at 550 °C than SOFCs operating at 800 °C.

Research Update: Doping ZnO and TiO2 for solar cells

Directory of Open Access Journals (Sweden)

Robert L. Z. Hoye

2013-12-01

Full Text Available ZnO and TiO2 are two of the most commonly used n-type metal oxide semiconductors in new generation solar cells due to their abundance, low-cost, and stability. ZnO and TiO2 can be used as active layers, photoanodes, buffer layers, transparent conducting oxides, hole-blocking layers, and intermediate layers. Doping is essential to tailor the materials properties for each application. The dopants used and their impact in solar cells are reviewed. In addition, the advantages, disadvantages, and commercial potential of the various fabrication methods of these oxides are presented.

A pump/intermediate heat exchanger assembly for a liquid metal reactor

International Nuclear Information System (INIS)

Nathenson, R.D.; Alexion, C.C.; Sumpman, W.C.

1987-01-01

A heat exchanger and electromagnetic pump assembly is disclosed comprising a heat exchanger housing defining an annularly shaped cavity and supporting therein a plurality of heat transfer tubes. An electromagnetic pump disposed beneath the heat exchanger comprises a circular array of flow couplers. Each flow coupler comprises a pump duct receiving primary liquid metal and a generator duct receiving a pumped intermediate liquid metal. A first plenum chamber is in communication with the generator ducts of all the flow couplers and receives intermediate liquid metal from inlet duct. The generator ducts exit their flows of intermediate liquid metal to a second plenum chamber in communication with the heat exchanger annularly shaped cavity to permit the flow of the intermediate liquid metal therethrough. A third plenum chamber receives collectively the flows of the primary liquid metal from the tubes and directs the primary liquid metal to the pump ducts of the flow couplers. The annular magnetic field of the electromagnetic pump is produced by a circular array of electromagnets having hollow windings cooled by a flow of intermediate liquid metal via tubes and manifolds. The leads to the electromagnets pass through an annular space around the inlet duct. (author)

Generation, transport and conduct of radioactive wastes of low and intermediate level; Generacion, transporte y gestion de desechos radiactivos de nivel bajo e intermedio

Energy Technology Data Exchange (ETDEWEB)

Lizcano, D.; Jimenez, J. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)]. e-mail: dlc@nuclear.inin.mx

2005-07-01

The technological development of the last decades produced an increment in the application of the radiations in different human activities. The effect of it has been it the production of radioactive wastes of all the levels. In Mexico, some of the stages of the administration of the waste of low and intermediate level have not been completely resolved, as the case of the treatment and the final storage. In this work aspects of the generation, the transport and the administration of radioactive waste of low and intermediate level produced in the non energy applications from the radioactive materials to national level, indicating the generated average quantities, transported and tried annually by the National Institute of Nuclear Research (ININ). The main generators of wastes in Mexico, classified according to the activity in which the radioactive materials are used its are listed. Some of the main processes of treatment of radioactive wastes broadly applied in the world and those that are used at the moment in our country are also presented. (Author)

Perspective: Spectroscopy and kinetics of small gaseous Criegee intermediates

International Nuclear Information System (INIS)

Lee, Yuan-Pern

2015-01-01

The Criegee intermediates, carbonyl oxides proposed by Criegee in 1949 as key intermediates in the ozonolysis of alkenes, play important roles in many aspects of atmospheric chemistry. Because direct detection of these gaseous intermediates was unavailable until recently, previous understanding of their reactions, derived from indirect experimental evidence, had great uncertainties. Recent laboratory detection of the simplest Criegee intermediate CH 2 OO and some larger members, produced from ultraviolet irradiation of corresponding diiodoalkanes in O 2 , with various methods such as photoionization, ultraviolet absorption, infrared absorption, and microwave spectroscopy opens a new door to improved understanding of the roles of these Criegee intermediates. Their structures and spectral parameters have been characterized; their significant zwitterionic nature is hence confirmed. CH 2 OO, along with other products, has also been detected directly with microwave spectroscopy in gaseous ozonolysis reactions of ethene. The detailed kinetics of the source reaction, CH 2 I + O 2 , which is critical to laboratory studies of CH 2 OO, are now understood satisfactorily. The kinetic investigations using direct detection identified some important atmospheric reactions, including reactions with NO 2 , SO 2 , water dimer, carboxylic acids, and carbonyl compounds. Efforts toward the characterization of larger Criegee intermediates and the investigation of related reactions are in progress. Some reactions of CH 3 CHOO are found to depend on conformation. This perspective examines progress toward the direct spectral characterization of Criegee intermediates and investigations of the associated reaction kinetics, and indicates some unresolved problems and prospective challenges for this exciting field of research

Reactor-moderated intermediate-energy neutron beams for neutron-capture therapy

International Nuclear Information System (INIS)

Less, T.J.

1987-01-01

One approach to producing an intermediate energy beam is moderating fission neutrons escaping from a reactor core. The objective of this research is to evaluate materials that might produce an intermediate beam for NCT via moderation of fission neutrons. A second objective is to use the more promising moderator material in a preliminary design of an NCT facility at a research reactor. The evaluations showed that several materials or combinations of materials could produce a moderator source for an intermediate beam for NCT. The best neutron spectrum for use in NCT is produced by Al 2 O 3 , but mixtures of Al metal and D 2 O are also attractive. Using the best moderator materials, results were applied to the design of an NCT moderator at the Georgia Institute of Technology Research Reactor's bio-medical facility. The amount of photon shielding and thermal neutron absorber were optimized with respect to the desired photon dose rate and intermediate neutron flux at the patient position

A method of producing small grain Ru intermediate layers for perpendicular magnetic media

International Nuclear Information System (INIS)

Yuan Hua; Qin Yueling; Laughlin, David E.

2008-01-01

NiAl + SiO 2 thin films were used as a grain size reducing seedlayer for cobalt alloy granular perpendicular magnetic recording media. The effect of this NiAl + SiO 2 seedlayer on the microstructure and crystalline orientation of Ru intermediate layer has been investigated. By co-sputtering the composite NiAl + SiO 2 seedlayer, the smallest average grain diameter of NiAl was significantly reduced to about 2.5 nm. The grain size of the subsequent Ru intermediate layer was reduced to about 4 nm. X-ray diffraction results indicate an epitaxial orientation relationship of NiAl (110) // Ru (0002) between the two layers. Moreover, significant improvement of this epitaxial relationship was developed, which produced narrow c-axis distribution of the Ru intermediate layer with small grain size. The addition of the NiAl + SiO 2 seedlayer is a very promising approach to reduce the Ru intermediate layer grain size and eventually the magnetic layer grain size for perpendicular magnetic recording media without deterioration of other properties of thin films

High-energy X-ray diffraction studies of short- and intermediate-range structure in oxide glasses

International Nuclear Information System (INIS)

Suzuya, Kentaro

2002-01-01

The feature of high-energy X-ray diffraction method is explained. The oxide glasses studies by using BL04B2, high-energy X-ray diffraction beam line of SPring-8, and the random system materials by high-energy monochromatic X-ray diffraction are introduced. An advantage of third generation synchrotron radiation is summarized. On SPring-8, the high-energy X-ray diffraction experiments of random system are carried out by BL04B2 and BL14B1 beam line. BL04B2 can select Si (111)(E=37.8 keV, λ=0.033 nm) and Si(220)(E=61.7 keV, λ=0.020 nm) as Si monochromator. The intermediate-range structure of (MgO) x (P 2 O 5 ) 1-x glass ,MgP 2 O 6 glass, B 2 O 3 glass, SiO 2 and GeO 2 are explained in detail. The future and application of high-energy X-ray diffraction are stated. (S.Y.)

Inclusive quasielastic neutrino reactions in 12C and 16O at intermediate energies

International Nuclear Information System (INIS)

Singh, S.K.; Oset, E.

1993-01-01

Inclusive quasielastic neutrino (antineutrino) reactions on 12 C and 16 O at intermediate energies (50< E<400 MeV) are studied to investigate the effects of the nuclear medium on the total cross section and the energy spectrum of the outgoing leptons. The calculations are done in the local density approximation and various nuclear effects like Pauli blocking, Fermi motion, and strong-interaction renormalizations due to the presence of nucleons are taken into account. The corrections due to Coulomb effects are included which have been hitherto neglected in inclusive reactions. The results presented here are applicable to the inclusive reactions with neutrino beams planned to look for neutrino oscillations in the Los Alamos experiments or the experiments with underground detectors looking for atmospheric or solar flare neutrinos

MNE Entrepreneurial Capabilities at Intermediate Levels

DEFF Research Database (Denmark)

Hoenen, Anne K.; Nell, Phillip Christopher; Ambos, Björn

2014-01-01

at intermediate geographical levels differ from local subsidiaries and global corporate headquarters, and why those differences are important. We illustrate our arguments using data on European regional headquarters (RHQs). We find that RHQs' entrepreneurial capabilities depend on their external embeddedness...... and on the heterogeneous information that is generated through dissimilar markets within the region. Our study opens up for an interesting discussion of the independence of these mechanisms. In sum, we contribute to the understanding of the entrepreneurial role of intermediate units in general and RHQs in particular....

Activated carbon/ZnO composites prepared using hydrochars as intermediate and their electrochemical performance in supercapacitor

International Nuclear Information System (INIS)

Li, Yueming; Liu, Xi

2014-01-01

We report a new methodology to prepare activated carbon and activated carbons/ZnO composites from walnut shell-derived hydrothermal carbons (hydrochars), which were prepared under hydrothermal condition in presence of ZnCl 2 . For this method, activated carbon/ZnO composites were prepared via heat treatment of hydrochars under inert environment and activated carbons were prepared by removing the ZnO in activated carbon/ZnO composites. The chemical structure of walnut shell, hydrochars, activated carbon/ZnO and activated carbon was investigated by Fourier transform infrared spectroscopy, Raman, X-ray powder diffraction, thermogravimetric analysis and N 2 adsorption/desorption measurements. It is found ZnCl 2 plays multiple roles, i.e., helping to remove the oxygen-containing groups during hydrothermal stage, improving the surface area of activated carbon and acting as the precursor of ZnO in heat-treatment stage. The specific surface areas up to 818.9 and 1072.7 m 2  g −1 have been achieved for activated carbon/ZnO composites and activated carbon, respectively. The activated carbon/ZnO as electrode materials for supercapacitors showed that specific capacitance of up to 117.4 F g −1 at a current density of 0.5 A g −1 in KOH aqueous solution can be achieved and keeps stable in 1000 cycles. - Highlights: • Hydrochars as intermediate to prepare activated carbon/ZnO composites. • Activated carbon/ZnO showed excellent electrochemical performance in supercapacitors. • Activated carbon with large surface area can be obtained by removing ZnO

Intermediate magnetization state and competing orders in Dy2Ti2O7 and Ho2Ti2O7

Science.gov (United States)

Borzi, R. A.; Gómez Albarracín, F. A.; Rosales, H. D.; Rossini, G. L.; Steppke, A.; Prabhakaran, D.; Mackenzie, A. P.; Cabra, D. C.; Grigera, S. A.

2016-01-01

Among the frustrated magnetic materials, spin-ice stands out as a particularly interesting system. Residual entropy, freezing and glassiness, Kasteleyn transitions and fractionalization of excitations in three dimensions all stem from a simple classical Hamiltonian. But is the usual spin-ice Hamiltonian a correct description of the experimental systems? Here we address this issue by measuring magnetic susceptibility in the two most studied spin-ice compounds, Dy2Ti2O7 and Ho2Ti2O7, using a vector magnet. Using these results, and guided by a theoretical analysis of possible distortions to the pyrochlore lattice, we construct an effective Hamiltonian and explore it using Monte Carlo simulations. We show how this Hamiltonian reproduces the experimental results, including the formation of a phase of intermediate polarization, and gives important information about the possible ground state of real spin-ice systems. Our work suggests an unusual situation in which distortions might contribute to the preservation rather than relief of the effects of frustration. PMID:27558021

27Al MAS NMR spectroscopic identification of reaction intermediates in the carbothermal reduction and nitridation of alumina

International Nuclear Information System (INIS)

Jung, Woo-Sik; Chae, Seen-Ae

2010-01-01

The reaction intermediates in the carbothermal reduction and nitridation (CRN) reaction of γ-Al 2 O 3 were identified by 27 Al magic-angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy. This identification ruled out the possibility of a reaction mechanism involving the gaseous reaction intermediates. In the CRN reaction of γ-Al 2 O 3 , AlO 4 units were converted to AlN stepwise via AlN x O 4-x (x = 1, 2, 3) intermediates, while AlO 6 units were more slowly converted to AlN than AlO 4 units and the NMR peaks of partially nitridated AlO 6 units were not detected. The NMR peak intensities of partially nitridated AlO 4 units became weaker with increasing reaction temperature.

Multicomponent kinetic analysis and theoretical studies on the phenolic intermediates in the oxidation of eugenol and isoeugenol catalyzed by laccase.

Science.gov (United States)

Qi, Yan-Bing; Wang, Xiao-Lei; Shi, Ting; Liu, Shuchang; Xu, Zhen-Hao; Li, Xiqing; Shi, Xuling; Xu, Ping; Zhao, Yi-Lei

2015-11-28

Laccase catalyzes the oxidation of natural phenols and thereby is believed to initialize reactions in lignification and delignification. Numerous phenolic mediators have also been applied in laccase-mediator systems. However, reaction details after the primary O-H rupture of phenols remain obscure. In this work two types of isomeric phenols, EUG (eugenol) and ISO (trans-/cis-isoeugenol), were used as chemical probes to explore the enzymatic reaction pathways, with the combined methods of time-resolved UV-Vis absorption spectra, MCR-ALS, HPLC-MS, and quantum mechanical (QM) calculations. It has been found that the EUG-consuming rate is linear to its concentration, while the ISO not. Besides, an o-methoxy quinone methide intermediate, (E/Z)-4-allylidene-2-methoxycyclohexa-2,5-dienone, was evidenced in the case of EUG with the UV-Vis measurement, mass spectra and TD-DFT calculations; in contrast, an ISO-generating phenoxyl radical, a (E/Z)-2-methoxy-4-(prop-1-en-1-yl) phenoxyl radical, was identified in the case of ISO. Furthermore, QM calculations indicated that the EUG-generating phenoxyl radical (an O-centered radical) can easily transform into an allylic radical (a C-centered radical) by hydrogen atom transfer (HAT) with a calculated activation enthalpy of 5.3 kcal mol(-1) and then be fast oxidized to the observed eugenol quinone methide, rather than an O-radical alkene addition with barriers above 12.8 kcal mol(-1). In contrast, the ISO-generating phenoxyl radical directly undergoes a radical coupling (RC) process, with a barrier of 4.8 kcal mol(-1), while the HAT isomerization between O- and C-centered radicals has a higher reaction barrier of 8.0 kcal mol(-1). The electronic conjugation of the benzyl-type radical and the aromatic allylic radical leads to differentiation of the two pathways. These results imply that competitive reaction pathways exist for the nascent reactive intermediates generated in the laccase-catalyzed oxidation of natural phenols, which is

Intermediate Ce{sup 3+} defect level induced photoluminescence and third-order nonlinear optical effects in TiO{sub 2}-CeO{sub 2} nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Divya, S.; Nampoori, V.P.N.; Radhakrishnan, P.; Mujeeb, A. [Cochin University of Science and Technology, International School of Photonics, Cochin, Kerala (India)

2014-02-15

We report on the linear and nonlinear optical studies of TiO{sub 2}-CeO{sub 2} nanocomposites. It was found that the band gap of the nanocomposite can be tuned by varying Ce/Ti content. Nonlinear absorption characteristics of these samples were studied by employing open aperture Z-scan technique using an Nd:YAG laser (532 nm, 7 ns, 10 Hz). It has been observed that as the CeO{sub 2} amount increases, band gap of the nanocomposites decreases and the reason proposed for the change in band gap is the smudging of localised states of Ce{sup 3+} into the forbidden energy gap, thus acting as the intermediate state. Fluorescence studies confirmed the above argument. Nonlinear investigation revealed that with increase in the CeO{sub 2} amount, the two-photon absorption coefficient increased due to the modification of TiO{sub 2} dipole symmetry. Suitable candidature of the nanocomposites for the fabrication of nonlinear optical devices was proved by determining the optical limiting threshold. (orig.)

Intermediates detected by visible spectroscopy during the reaction of nitrite with deoxyhemoglobin: the effect of nitrite concentration and diphosphoglycerate.

Science.gov (United States)

Nagababu, Enika; Ramasamy, Somasundaram; Rifkind, Joseph M

2007-10-16

The reaction of nitrite with deoxyhemoglobin (deoxyHb) results in the reduction of nitrite to NO, which binds unreacted deoxyHb forming Fe(II)-nitrosylhemoglobin (Hb(II)NO). The tight binding of NO to deoxyHb is, however, inconsistent with reports implicating this reaction with hypoxic vasodilation. This dilemma is resolved by the demonstration that metastable intermediates are formed in the course of the reaction of nitrite with deoxyHb. The level of intermediates is quantitated by the excess deoxyHb consumed over the concentrations of the final products formed. The dominant intermediate has a spectrum that does not correspond to that of Hb(III)NO formed when NO reacts with methemoglobin (MetHb), but is similar to metHb resulting in the spectroscopic determinations of elevated levels of metHb. It is a delocalized species involving the heme iron, the NO, and perhaps the beta-93 thiol. The putative role for red cell reacted nitrite on vasodilation is associated with reactions involving the intermediate. (1) The intermediate is less stable with a 10-fold excess of nitrite and is not detected with a 100-fold excess of nitrite. This observation is attributed to the reaction of nitrite with the intermediate producing N2O3. (2) The release of NO quantitated by the formation of Hb(II)NO is regulated by changes in the distal heme pocket as shown by the 4.5-fold decrease in the rate constant in the presence of 2,3-diphosphoglycerate. The regulated release of NO or N2O3 as well as the formation of the S-nitroso derivative of hemoglobin, which has also been reported to be formed from the intermediates generated during nitrite reduction, should be associated with any hypoxic vasodilation attributed to the RBC.

Photocatalytic degradation of metoprolol tartrate in suspensions of two TiO2-based photocatalysts with different surface area. Identification of intermediates and proposal of degradation pathways

International Nuclear Information System (INIS)

Abramović, Biljana; Kler, Sanja; Šojić, Daniela; Laušević, Mila; Radović, Tanja; Vione, Davide

2011-01-01

Highlights: ► Kinetics and efficiency of photocatalytic degradation of the β 1 -blocker metoprolol tartrate (MET). ► Two TiO 2 specimens employed. ► Faster degradation of MET, but slower mineralization, obtained with the TiO 2 specimen having lower surface area. ► Photocatalytic transformation pathways of MET including mineralization. - Abstract: This study investigates the efficiency of the photocatalytic degradation of metoprolol tartrate (MET), a widely used β 1 -blocker, in TiO 2 suspensions of Wackherr's “Oxyde de titane standard” and Degussa P25. The study encompasses transformation kinetics and efficiency, identification of intermediates and reaction pathways. In the investigated range of initial concentrations (0.01–0.1 mM), the photocatalytic degradation of MET in the first stage of the reaction followed approximately a pseudo-first order kinetics. The TiO 2 Wackherr induced a significantly faster MET degradation compared to TiO 2 Degussa P25 when relatively high substrate concentrations were used. By examining the effect of ethanol as a scavenger of hydroxyl radicals (·OH), it was shown that the reaction with ·OH played the main role in the photocatalytic degradation of MET. After 240 min of irradiation the reaction intermediates were almost completely mineralized to CO 2 and H 2 O, while the nitrogen was predominantly present as NH 4 + . Reaction intermediates were studied in detail and a number of them were identified using LC–MS/MS (ESI+), which allowed the proposal of a tentative pathway for the photocatalytic transformation of MET as a function of the TiO 2 specimen.

The MHD intermediate shock interaction with an intermediate wave: Are intermediate shocks physical?

International Nuclear Information System (INIS)

Wu, C.C.

1988-01-01

Contrary to the usual belief that MHD intermediate shocks are extraneous, the authors have recently shown by numerical solutions of dissipative MHD equations that intermediate shocks are admissible and can be formed through nonlinear steepening from a continuous wave. In this paper, he clarifies the differences between the conventional view and the results by studying the interaction of an MHD intermediate shock with an intermediate wave. The study reaffirms his results. In addition, the study shows that there exists a larger class of shocklike solutions in the time-dependent dissiaptive MHD equations than are given by the MHD Rankine-Hugoniot relations. it also suggests a mechanism for forming rotational discontinuities through the interaction of an intermediate shock with an intermediate wave. The results are of importance not only to the MHD shock theory but also to studies such as magnetic field reconnection models

Kinetic and mechanistic studies of reactive intermediates in photochemical and transition metal-assisted oxidation, decarboxylation and alkyl transfer reactions

Science.gov (United States)

Carraher, Jack McCaslin

Reactive species like high-valent metal-oxo complexes and carbon and oxygen centered radicals are important intermediates in enzymatic systems, atmospheric chemistry, and industrial processes. Understanding the pathways by which these intermediates form, their relative reactivity, and their fate after reactions is of the utmost importance. Herein are described the mechanistic detail for the generation of several reactive intermediates, synthesis of precursors, characterization of precursors, and methods to direct the chemistry to more desirable outcomes yielding 'greener' sources of commodity chemicals and fuels. High-valent Chromium from Hydroperoxido-Chromium(III). The decomposition of pentaaquahydroperoxido chromium(III) ion (hereafter Cr aqOOH2+) in acidic aqueous solutions is kinetically complex and generates mixtures of products (Craq3+, HCrO 4-, H2O2, and O2). The yield of high-valent chromium products (known carcinogens) increased from a few percent at pH 1 to 70 % at pH 5.5 (near biological pH). Yields of H 2O2 increased with acid concentration. The reproducibility of the kinetic data was poor, but became simplified in the presence of H2O2 or 2,2‧-azinobis(3-ethylbenzothiazoline-6-sulfonate) dianion (ABTS2-). Both are capable of scavenging strongly oxidizing intermediates). The observed rate constants (pH 1, [O2] ≤ 0.03 mM) in the presence of these scavengers are independent of [scavenger] and within the error are the same (k,ABTS2- = (4.9 +/- 0.2) x 10-4 s-1 and kH2O2 = (5.3 +/- 0.7) x 10-4 s-1); indicating involvement of the scavengers in post-rate determining steps. In the presence of either scavenger, decomposition of CrOOH2+ obeyed a two-term rate law, k obs / s-1 = (6.7 +/- 0.7) x 10-4 + (7.6 +/- 1.1) x 10-4 [H+]. Effect of [H+] on the kinetics and the product distribution, cleaner kinetics in the presence of scavengers, and independence of kobs on [scavenger] suggest a dual-pathway mechanism for the decay of Craq OOH2+. The H+-catalyzed path

Activated carbon/ZnO composites prepared using hydrochars as intermediate and their electrochemical performance in supercapacitor

Energy Technology Data Exchange (ETDEWEB)

Li, Yueming, E-mail: liyueming@ysu.edu.cn; Liu, Xi

2014-11-14

We report a new methodology to prepare activated carbon and activated carbons/ZnO composites from walnut shell-derived hydrothermal carbons (hydrochars), which were prepared under hydrothermal condition in presence of ZnCl{sub 2}. For this method, activated carbon/ZnO composites were prepared via heat treatment of hydrochars under inert environment and activated carbons were prepared by removing the ZnO in activated carbon/ZnO composites. The chemical structure of walnut shell, hydrochars, activated carbon/ZnO and activated carbon was investigated by Fourier transform infrared spectroscopy, Raman, X-ray powder diffraction, thermogravimetric analysis and N{sub 2} adsorption/desorption measurements. It is found ZnCl{sub 2} plays multiple roles, i.e., helping to remove the oxygen-containing groups during hydrothermal stage, improving the surface area of activated carbon and acting as the precursor of ZnO in heat-treatment stage. The specific surface areas up to 818.9 and 1072.7 m{sup 2} g{sup −1} have been achieved for activated carbon/ZnO composites and activated carbon, respectively. The activated carbon/ZnO as electrode materials for supercapacitors showed that specific capacitance of up to 117.4 F g{sup −1} at a current density of 0.5 A g{sup −1} in KOH aqueous solution can be achieved and keeps stable in 1000 cycles. - Highlights: • Hydrochars as intermediate to prepare activated carbon/ZnO composites. • Activated carbon/ZnO showed excellent electrochemical performance in supercapacitors. • Activated carbon with large surface area can be obtained by removing ZnO.

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

International Nuclear Information System (INIS)

Bezerra, Anibal T; Studart, Nelson

2017-01-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p – i–n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell. (paper)

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

Science.gov (United States)

Bezerra, Anibal T.; Studart, Nelson

2017-08-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p-i-n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell.

Intermediality and the Child Performer

Science.gov (United States)

Budd, Natasha

2016-01-01

This report details examples of praxis in the creation and presentation of "Joy Fear and Poetry": an intermedial theatre performance in which children aged 7-12 years generated aesthetic gestures using a range of new media forms. The impetus for the work's development was a desire to make an intervention into habituated patterns of…

Study of fluorescence quenching due to 2, 3, 5, 6-tetrafluoro-7, 7', 8, 8'-tetracyano quinodimethane and its solid state diffusion analysis using photoluminescence spectroscopy.

Science.gov (United States)

Tyagi, Priyanka; Tuli, Suneet; Srivastava, Ritu

2015-02-07

In this work, we have studied the fluorescence quenching and solid state diffusion of 2, 3, 5, 6-tetrafluoro-7,  7',  8,  8'-tetracyano quinodimethane (F4-TCNQ) using photoluminescence (PL) spectroscopy. Quenching studies were performed with tris (8-hydroxyquinolinato) aluminum (Alq3) in solid state samples. Thickness of F4-TCNQ was varied in order to realize different concentrations and study the effect of concentration. PL intensity has reduced with the increase in F4-TCNQ thicknesses. Stern-Volmer and bimolecular quenching constants were evaluated to be 13.8 M(-1) and 8.7 × 10(8) M(-1) s(-1), respectively. The quenching mechanism was found to be of static type, which was inferred by the independent nature of excited state life time from the F4-TCNQ thickness. Further, solid state diffusion of F4-TCNQ was studied by placing a spacing layer of α-NPD between F4-TCNQ and Alq3, and its thickness was varied to probe the diffusion length. PL intensity was found to increase with the increase in this thickness. Quenching efficiency was evaluated as a function of distance between F4-TCNQ and Alq3. These studies were performed for the samples having 1, 2.5, and 5.5 nm thicknesses of F4-TCNQ to study the thickness dependence of diffusion length. Diffusion lengths were evaluated to be 12.5, 15, and 20 nm for 1, 2.5, and 5.5 nm thicknesses of F4-TCNQ. These diffusion lengths were found to be very close to that of determined by secondary ion mass spectroscopy technique.

Intermediate phase evolution in YBCO thin films grown by the TFA process

International Nuclear Information System (INIS)

Zalamova, K; Pomar, A; Palau, A; Puig, T; Obradors, X

2010-01-01

The YBCO thin film growth process from TFA precursors involves a complex reaction path which includes several oxide, fluoride and oxyfluoride intermediate phases, and the final microstructure and properties of the films are strongly influenced by the morphological and chemical evolution of these intermediate phases. In this work we present a study of the evolution of the intermediate phases involved in the TFA YBCO growth process under normal pressure conditions and we show that the oxygen partial pressure during pyrolysis of the TFA precursors is an important parameter. The Cu phase after the TFA pyrolysis can be either CuO, Cu 2 O or a mixture of both as the oxygen partial pressure is modified. The kinetics evolution of the intermediate phases has been determined for films pyrolysed in oxygen and nitrogen atmospheres and it is concluded that non-equilibrium phase transformations influence the reaction path towards epitaxial YBCO films and its microstructure. The intermediate phase evolution in these two series of films is summarized in kinetic phase diagrams.

YSZ thin films deposited on NiO-CSZ anodes by pulsed injection MOCVD for intermediate temperature-SOFC applications

International Nuclear Information System (INIS)

Garcia, G.; Pardo, J.A.; Santiso, J.; Merino, R.I.; Orera, V.M.; Larrea, A.; Pena, J.I.; Laguna-Bercero, M.A.; Figueras, A.

2004-01-01

Yttria-stabilized zirconia (YSZ) films are prepared on NiO-CaSZ by PIMOCVD (pulsed injection metal organic chemical vapor deposition). High quality, 5 to 10 μm thick, totally dense YSZ layers are prepared by controlling the oxygen partial pressure during the deposition. YSZ solid electrolyte deposition onto Ni-YSZ eutectic substrate is found to be a promising combination with regard to intermediate-temperature solid-oxide fuel cell applications. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

Difficulty of carrier generation in orthorhombic PbO

Energy Technology Data Exchange (ETDEWEB)

Liao, Min; Takemoto, Seiji; Toda, Yoshitake; Tada, Tomofumi [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Xiao, Zewen; Kamiya, Toshio; Hosono, Hideo, E-mail: hosono@msl.titech.ac.jp [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Materials and Structures Laboratory, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Ueda, Shigenori [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science, Hyogo 679-5148 (Japan); Quantum Beam Unit, National Institute for Materials Science, Tsukuba 305-0047 (Japan)

2016-04-28

Polycrystalline β-PbO films were grown by pulsed laser deposition in atmospheres ranging from oxygen-poor (the oxygen pressure of 0.01 Pa) to oxygen-rich (13 Pa) conditions, and the oxygen chemical potential was further enhanced by ozone annealing to examine hole doping. It was found that each of the as-grown β-PbO films showed poor electrical conductivity, σ < 1.4 × 10{sup −7} S cm{sup −1}, regardless of the oxygen pressure. The density functional calculations revealed that native defects including Pb and O vacancies have deep transition levels and extremely high formation enthalpies, which indicates difficulty of carrier generation in β-PbO and explains the experimentally observed poor electrical conductivity. The analysis of the electronic structures showed that the interaction between Pb 6s and O 2p orbitals is weak due to the deep energy level of Pb 6s and does not raise the valence band maximum (VBM) level unlike that observed in SnO, which is also supported by ultraviolet photoemission spectroscopy measurements. The deep acceptor transition levels of the native defects are attributed to the deep VBM of β-PbO. On the other hand, annealing β-PbO films in reactive oxygen-containing atmospheres (i.e., O{sub 3}) led to a significantly enhanced electrical conductivity (i.e., σ > 7.1 × 10{sup 2} S cm{sup −1}) but it is the result of the formation of an n-type PbO{sub 2} phase because oxygen chemical potential exceeded the phase boundary limit. The striking difference in carrier generation between PbO and SnO is discussed based on the electronic structures calculated by density functional theory.

Electrochemical performance of Nd1.8Ce0.2CuO4+δ:Ce0.9Gd0.1O2 composite cathode for intermediate temperature solid oxide fuel cells

International Nuclear Information System (INIS)

Khandale, A.P.; Bhoga, S.S.

2012-01-01

Intermediate temperature solid oxide fuel cells (IT-SOFCs) are viewed as a promising power generation systems with high efficiency and low pollution. Recently, mixed ionic-electronic conductors (MIECs), with K 2 NiF 4 - type structure, attracted much attention as cathode for IT-SOFC

A density functional theory study of partial oxidation of propylene on Cu2O(0 0 1) and CuO(0 0 1) surfaces

Science.gov (United States)

Düzenli, Derya; Atmaca, Deniz Onay; Gezer, Miray Gülbiter; Onal, Isik

2015-11-01

This work theoretically investigates propylene epoxidation reaction on Cu2O(0 0 1) and CuO(0 0 1) surfaces using periodical DFT method to determine the active copper species within the reaction mechanism. The transition states and energy profiles are calculated for the formation of surface intermediates such as oxametallopropylene (OMP) over Cu2O(0 0 1) and oxygen bridging (OB) over CuO(0 0 1) and allylic H-stripping reaction (AHS) over both surfaces as well as for formation of products. Propylene oxide (PO) and acetone are obtained through OMP and OB surface intermediates and acrolein generation is observed through allylic H-stripping reaction (AHS). The calculations revealed that the corresponding surface intermediates for epoxidation reaction need to overcome an activation barrier of 13 kcal/mol over CuO surface whereas they occur without an energy barrier over Cu2O surface indicating the higher activity of Cu+ species. Acrolein is also found to be a thermodynamically more favorable product for both surfaces especially over CuO surface due to the presence of more surface oxygen atoms on which the basicity has been evaluated by the adsorption of sulfur dioxide. This indicates that the lattice oxygen inherent in both surface types does not participate in PO production.

Sum Frequency Generation Vibrational Spectroscopy of 1,3-Butadiene Hydrogenation on 4 nm Pt@SiO 2 , Pd@SiO 2 , and Rh@SiO 2 Core–Shell Catalysts

KAUST Repository

Krier, James M.; Michalak, William D.; Cai, Xiaojun; Carl, Lindsay; Komvopoulos, Kyriakos; Somorjai, Gabor A.

2015-01-01

NPs (Stöber encapsulation) prepared by colloidal synthesis. Sum frequency generation (SFG) vibrational spectroscopy was performed to correlate surface intermediates observed in situ with reaction selectivity. It is shown that calcination is effective

Intermediate frequency magnetic field generated by a wireless power transmission device does not cause genotoxicity in vitro.

Science.gov (United States)

Shi, Dejing; Zhu, Chunbo; Lu, Rengui; Mao, Shitong; Qi, Yanhua

2014-10-01

The aim of this study was to evaluate effects of intermediate frequency magnetic fields (IFMF) generated by a wireless power transmission (WPT) based on magnetic resonance from the perspective of cellular genotoxicity on cultured human lens epithelial cells (HLECs). We evaluated the effects of exposure to 90 kHz magnetic fields at 93.36 µT on cellular genotoxicity in vitro for 2 and 4 h. The magnetic flux density is approximately 3.5 times higher than the reference level recommended by the International Commission on Non-Ionizing Radiation Protection (ICNIRP) guidelines. For assessment of genotoxicity, we studied cellular proliferation, apoptosis and DNA damage by Cell Counting Kit-8 (CCK-8) assay, flow cytometry analysis, alkaline comet assay and phosphorylated histone H2AX (γH2AX) foci formation test. We did not detect any effect of a 90 kHz IFMF generated by WPT based on magnetic resonance on cell proliferation, apoptosis, comet assay, and γH2AX foci formation test. Our results indicated that exposure to 90 kHz IFMF generated by WPT based on magnetic resonance at 93.36 µT for 2 and 4 h does not cause detectable cellular genotoxicity. © 2014 Wiley Periodicals, Inc.

Photocatalytic degradation of metoprolol tartrate in suspensions of two TiO{sub 2}-based photocatalysts with different surface area. Identification of intermediates and proposal of degradation pathways

Energy Technology Data Exchange (ETDEWEB)

Abramovic, Biljana, E-mail: biljana.abramovic@dh.uns.ac.rs [Department of Chemistry, Biochemistry and Environmental Protection, Faculty of Sciences, University of Novi Sad, Trg D. Obradovica 3, 21000 Novi Sad (Serbia); Kler, Sanja, E-mail: sanja.kler@dh.uns.ac.rs [Department of Chemistry, Biochemistry and Environmental Protection, Faculty of Sciences, University of Novi Sad, Trg D. Obradovica 3, 21000 Novi Sad (Serbia); Sojic, Daniela, E-mail: daniela.sojic@dh.uns.ac.rs [Department of Chemistry, Biochemistry and Environmental Protection, Faculty of Sciences, University of Novi Sad, Trg D. Obradovica 3, 21000 Novi Sad (Serbia); Lausevic, Mila, E-mail: milal@tmf.bg.ac.rs [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade (Serbia); Radovic, Tanja, E-mail: tradovic@tmf.bg.ac.rs [Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade (Serbia); Vione, Davide, E-mail: davide.vione@unito.it [Dipartimento di Chimica Analitica, Universita di Torino, Via Pietro Giuria 5, 10125 Torino (Italy)

2011-12-30

Highlights: Black-Right-Pointing-Pointer Kinetics and efficiency of photocatalytic degradation of the {beta}{sub 1}-blocker metoprolol tartrate (MET). Black-Right-Pointing-Pointer Two TiO{sub 2} specimens employed. Black-Right-Pointing-Pointer Faster degradation of MET, but slower mineralization, obtained with the TiO{sub 2} specimen having lower surface area. Black-Right-Pointing-Pointer Photocatalytic transformation pathways of MET including mineralization. - Abstract: This study investigates the efficiency of the photocatalytic degradation of metoprolol tartrate (MET), a widely used {beta}{sub 1}-blocker, in TiO{sub 2} suspensions of Wackherr's 'Oxyde de titane standard' and Degussa P25. The study encompasses transformation kinetics and efficiency, identification of intermediates and reaction pathways. In the investigated range of initial concentrations (0.01-0.1 mM), the photocatalytic degradation of MET in the first stage of the reaction followed approximately a pseudo-first order kinetics. The TiO{sub 2} Wackherr induced a significantly faster MET degradation compared to TiO{sub 2} Degussa P25 when relatively high substrate concentrations were used. By examining the effect of ethanol as a scavenger of hydroxyl radicals ({center_dot}OH), it was shown that the reaction with {center_dot}OH played the main role in the photocatalytic degradation of MET. After 240 min of irradiation the reaction intermediates were almost completely mineralized to CO{sub 2} and H{sub 2}O, while the nitrogen was predominantly present as NH{sub 4}{sup +}. Reaction intermediates were studied in detail and a number of them were identified using LC-MS/MS (ESI+), which allowed the proposal of a tentative pathway for the photocatalytic transformation of MET as a function of the TiO{sub 2} specimen.

Characterization of biodegradation intermediates of nonionic surfactants by MALDI-MS. 2. Oxidative biodegradation profiles of uniform octylphenol polyethoxylate in 18O-labeled water.

Science.gov (United States)

Sato, Hiroaki; Shibata, Atsushi; Wang, Yang; Yoshikawa, Hiromichi; Tamura, Hiroto

2003-01-01

This paper reports the characterization of the biodegradation intermediates of octylphenol octaethoxylate (OP(8)EO) by means of matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). The biodegradation test study was carried out in a pure culture (Pseudomonas putida S-5) under aerobic conditions using OP(8)EO as the sole carbon source and (18)O-labeled water as an incubation medium. In the MALDI-MS spectra of biodegraded samples, a series of OP(n)EO molecules with n = 2-8 EO units and their corresponding carboxylic acid products (OP(n)EC) were observed. The use of purified OP(8)EO enabled one to distinguish the shortened OPEO molecules as biodegradation intermediates. Furthermore, the formation of OP(8)EC (the oxidized product of OP(8)EO) supported the notion that terminal oxidation is a step in the biodegradation process. When biodegradation study was carried out in (18)O-labeled water, incorporation of (18)O atoms into the carboxyl group was observed for OPEC, while no incorporation was observed for the shortened OPEO products. These results could provide some rationale to the biodegradation mechanism of alkylphenol polyethoxylates.

First- and second-generation total synthesis of ciguatoxin CTX3C.

Science.gov (United States)

Inoue, Masayuki; Miyazaki, Keisuke; Uehara, Hisatoshi; Maruyama, Megumi; Hirama, Masahiro

2004-08-17

More than 20,000 people suffer annually from ciguatera seafood poisoning in subtropical and tropical regions. The extremely low content of the causative neurotoxins, designated as ciguatoxins, in fish has hampered isolation, detailed biological studies, and preparation of anti-ciguatoxin antibodies for detecting these toxins. Furthermore, the large (3 nm in length) and complex molecular structure of ciguatoxins has impeded chemists from completing their total synthesis. In this article, the full details of studies leading to the total synthesis of ciguatoxin CTX3C are provided. The key elements of the first-generation approach include O,O-acetal formation from the right and left wing fragments, conversion from O,O-acetal to O,S-acetal, a radical reaction to cyclize the G ring, a ring-closing metathesis reaction to close the F ring, and final removal of the 2-naphtylmethyl protective groups. Subsequent studies provided a second-generation total synthesis, which is more concise and results in a higher yield. Second-generation synthesis was accomplished by using a direct method of constructing the key intermediate O,S-acetal from alpha-chlorosulfide and a secondary alcohol. These syntheses ensure a practical supply of ciguatoxin for biological applications.

Expressão dos filamentos intermediários no diagnóstico dos tumores mamários de cadelas Expression of intermediate filaments in canine mammary tumors diagnosis

Directory of Open Access Journals (Sweden)

D.A.P.C. Zuccari

2002-12-01

Full Text Available Foram utilizados anticorpos monoclonais para marcação imunoistoquímica dos tecidos tumorais e obtenção de informações sobre a histogênese dos tumores mamários utilizando-se anti-citoqueratinas para marcação de células epiteliais, e anti-actina e anti-vimentina para células mioepiteliais. O procedimento imunoistoquímico mostrou-se esclarecedor com relação à histogênese dos tumores mamários, confirmando a marcação de células epiteliais com as citoqueratinas que perdem sua expressão na transformação celular maligna. A alfa-actina e a vimentina mostraram-se eficientes na marcação de células mioepiteliais. A alfa-actina diminuiu a marcação na metaplasia óssea ou cartilaginosa contrariamente à vimentina cuja marcação foi aumentada. Os resultados permitem melhor entendimento da classificação dos tumores mamários de cadelas com a utilização de anticorpos monoclonais como marcadores do citoesqueleto, que se mostraram eficientes nessa caracterização.Immunohistochemical evaluation was performed to study the histogenesis of canine mammary tumors and to contribute to a better understanding of their classification. Monoclonal antibodies specific for different types of intermediate filaments (cytokeratins, vimentin, alpha-actin were used. Epithelial cells stained positively for cytokeratins and their expression was lost as the malignant transformation occurs. Myoepithelial cells stained positively for vimentin and alpha-actin. In contrast to vimentin, alpha-actin lost the expression as the cartilaginous or osseous metaplasia occurs. Immunohistochemical evaluation with monoclonal antibodies proved to be efficient for identification of tumor histogenesis. alpha-actin were used. Epithelial cells stained positively for cytokeratins and their expression was lost as the malignant transformation occurs. Myoepithelial cells stained positively for vimentin and alpha-actin. In contrast to vimentin, alpha-actin lost the expression

A novel heterogeneous system for sulfate radical generation through sulfite activation on a CoFe{sub 2}O{sub 4} nanocatalyst surface

Energy Technology Data Exchange (ETDEWEB)

Liu, Zizheng [School of Civil Engineering, Wuhan University, Wuhan, 430072 (China); Yang, Shaojie; Yuan, Yanan; Xu, Jing; Zhu, Yifan [Department of Environmental Science, Hubei Key Lab of Biomass Resource Chemistry and Environmental Biotechnology, School of Resources and Environmental Science, Wuhan University, Wuhan, 430079 (China); Li, Jinjun, E-mail: ljj0410@163.com [Department of Environmental Science, Hubei Key Lab of Biomass Resource Chemistry and Environmental Biotechnology, School of Resources and Environmental Science, Wuhan University, Wuhan, 430079 (China); Wu, Feng, E-mail: fengwu@whu.edu.cn [Department of Environmental Science, Hubei Key Lab of Biomass Resource Chemistry and Environmental Biotechnology, School of Resources and Environmental Science, Wuhan University, Wuhan, 430079 (China)

2017-02-15

Highlights: • CoFe{sub 2}O{sub 4}−S(IV)−O{sub 2} system is proposed as a new system of sulfate radical based AOPs. • Alkaline pH favors the activation of sulfite on CoFe{sub 2}O{sub 4} surface to produce oxysulfur radicals. • Generation of Co−OH complexes on the surface of CoFe{sub 2}O{sub 4} is the main factor for sulfite activation. • Degradation of organic contaminants by CoFe{sub 2}O{sub 4}−S(IV)−O{sub 2} system were achieved. • Main intermediates and pathways for the degradation of metoprolol were identified. - Abstract: Heterogeneous catalytic activation is important for potential application of new sulfate-radical-based advanced oxidation process using sulfite as source of sulfate radical. We report herein a heterogeneous system for sulfite activation by CoFe{sub 2}O{sub 4} nanocatalyst for metoprolol removal. Factors that influence metoprolol removal were investigated, including pH and initial concentrations of components. The CoFe{sub 2}O{sub 4} nanocatalyst was characterized by X-ray diffractometry (XRD) and transmission electron microscopy (TEM), and the catalytic stability was tested by consecutive runs. Radicals generated in the CoFe{sub 2}O{sub 4}−S(IV)−O{sub 2} system were identified through radical quenching experiments and by electron spin resonance (ESR). The catalytic mechanism was elucidated further by X-ray photoelectron spectroscopy (XPS). The catalytic process was dependent on initial pH, and more than 80% of the metoprolol can be removed at pH 10.0 following the Langmubir-Hinshelwood equation. The generation of Co-OH complexes on the CoFe{sub 2}O{sub 4} surface was crucial for sulfite activation. SO{sub 4}{sup ·−} was verified to be the main oxidative species responsible for metoprolol degradation. Other organic pollutants, such as sulfanilamide, sulfasalazine, 2-nitroaniline, sulfapyridine, aniline, azo dye X-3B and 4-chloroaniline, could also be removed in this CoFe{sub 2}O{sub 4}−S(IV)−O{sub 2} system. The

Mechanism of action of clostridial glycine reductase: Isolation and characterization of a covalent acetyl enzyme intermediate

International Nuclear Information System (INIS)

Arkowitz, R.A.; Abeles, R.H.

1991-01-01

Clostridial glycine reductase consists of proteins A, B, and C and catalyzes the reaction glycine + P i + 2e - → acetyl phosphate + NH 4 + . Evidence was previously obtained that is consistent with the involvement of an acyl enzyme intermediate in this reaction. The authors now demonstrate that protein C catalyzes exchange of [ 32 P]P i into acetyl phosphate, providing additional support for an acetyl enzyme intermediate on protein C. Furthermore, they have isolated acetyl protein C and shown that it is qualitatively, catalytically competent. Acetyl protein C can be obtained through the forward reaction from protein C and Se-(carboxymethyl)selenocysteine-protein A, which is generated by the reaction of glycine with proteins A and B. Acetyl protein C can also be generated through the reverse reaction by the addition of acetyl phosphate to protein C. Both procedures lead to the same acetyl enzyme. The acetyl enzyme reacts with P i to give acetyl phosphate. When [ 14 C]acetyl protein C is denaturated with TCA and redissolved with urea, radioactivity remained associated with the protein. Treatment with KBH 4 removes all the radioactivity associated with protein C, resulting in the formation of [ 14 C]ethanol. They conclude that a thiol group on protein C is acetylated. Proteins A and C together catalyze the exchange of tritium atoms from [ 3 H]H 2 O into acetyl phosphate. This exchange reaction supports the proposal that an enol of the acetyl enzyme is an intermediate in the reaction sequence

Time value of emission and technology discounting rate for off-grid electricity generation in India using intermediate pyrolysis

International Nuclear Information System (INIS)

Patel, Amit; Sarkar, Prabir; Tyagi, Himanshu; Singh, Harpreet

2016-01-01

The environmental impact assessment of a process over its entire operational lifespan is an important issue. Estimation of life cycle emission helps in predicting the contribution of a given process to abate (or to pollute) the environmental emission scenario. Considering diminishing and time-dependent effect of emission, assessment of the overall effect of emissions is very complex. The paper presents a generalized methodology for arriving at a single emission discounting number for a process option, using the concept of time value of carbon emission flow. This number incorporates the effect of the emission resulting from the process over the entire operational lifespan. The advantage of this method is its quantitative aspect as well as its flexible nature. It can be applied to any process. The method is demonstrated with the help of an Intermediate Pyrolysis process when used to generate off-grid electricity and opting biochar route for disposing straw residue. The scenarios of very high net emission to very high net carbon sequestration is generated using process by careful selection of process parameters for different scenarios. For these different scenarios, the process discounting rate was determined and its outcome is discussed. The paper also proposes a process specific eco-label that mentions the discounting rates. - Highlight: • Methodology to obtain emission discounting rate for a process is proposed. • The method includes all components of life cycle emission converts into a time dependent discounting number. • A case study of Intermediate Pyrolysis is used to obtain such number for a range of processes. • The method is useful to determine if the effect from the operation of a process will lead to a net absorption of emission or net accumulation of emission in the environment.

Time value of emission and technology discounting rate for off-grid electricity generation in India using intermediate pyrolysis

Energy Technology Data Exchange (ETDEWEB)

Patel, Amit, E-mail: amitrp@iitrpr.ac.in [Indian Institute of Technology Ropar, Nangal Road, Rupnagar 140001, Punjab (India); Faculty of Technology and Engineering, The Maharaja Sayajirao University of Baroda, Vadodara 390001, Gujarat (India); Sarkar, Prabir; Tyagi, Himanshu; Singh, Harpreet [Indian Institute of Technology Ropar, Nangal Road, Rupnagar 140001, Punjab (India)

2016-07-15

The environmental impact assessment of a process over its entire operational lifespan is an important issue. Estimation of life cycle emission helps in predicting the contribution of a given process to abate (or to pollute) the environmental emission scenario. Considering diminishing and time-dependent effect of emission, assessment of the overall effect of emissions is very complex. The paper presents a generalized methodology for arriving at a single emission discounting number for a process option, using the concept of time value of carbon emission flow. This number incorporates the effect of the emission resulting from the process over the entire operational lifespan. The advantage of this method is its quantitative aspect as well as its flexible nature. It can be applied to any process. The method is demonstrated with the help of an Intermediate Pyrolysis process when used to generate off-grid electricity and opting biochar route for disposing straw residue. The scenarios of very high net emission to very high net carbon sequestration is generated using process by careful selection of process parameters for different scenarios. For these different scenarios, the process discounting rate was determined and its outcome is discussed. The paper also proposes a process specific eco-label that mentions the discounting rates. - Highlight: • Methodology to obtain emission discounting rate for a process is proposed. • The method includes all components of life cycle emission converts into a time dependent discounting number. • A case study of Intermediate Pyrolysis is used to obtain such number for a range of processes. • The method is useful to determine if the effect from the operation of a process will lead to a net absorption of emission or net accumulation of emission in the environment.

Intermediate-range order in lead metasilicate glass

Energy Technology Data Exchange (ETDEWEB)

Suzuya, Kentaro [Japan Atomic Energy Research Inst., Ako, Hyogo (Japan)]|[Argonne National Lab., IL (United States). Materials Science Div.; Price, D.L.; Saboungi, M.L. [Argonne National Lab., IL (United States). Materials Science Div.; Ohno, Hideo [Japan Atomic Energy Research Inst., Ako, Hyogo (Japan)

1997-03-01

The complementarity of anomalous X-ray scattering (AXS) and neutron diffraction (ND) techniques is used here to investigate the nature and origin of intermediate-range order in lead metasilicate glass. Both X-ray and neutron source factors reveal small peaks at low wave vector which are shown to be associated with intermediate-range order of the Pb-O network. The combination of AXS and ND is shown to be a powerful tool to correlate contributions from the different atom pairs to such a peak. The information thus derived is compared with results from alkali germanate glasses and with structural data on corresponding crystalline compounds.

OMG: Open Molecule Generator.

Science.gov (United States)

Peironcely, Julio E; Rojas-Chertó, Miguel; Fichera, Davide; Reijmers, Theo; Coulier, Leon; Faulon, Jean-Loup; Hankemeier, Thomas

2012-09-17

Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck.

OMG: Open Molecule Generator

Directory of Open Access Journals (Sweden)

Peironcely Julio E

2012-09-01

Full Text Available Abstract Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG, which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck.

Deep geologic repository for low and intermediate radioactive level waste in Canada

International Nuclear Information System (INIS)

Liu Jianqin; Li Honghui; Sun Qinghong; Yang Zhongtian

2012-01-01

Ontario Power Generation (OPG) is undergoing a project for the long-term management of low and intermediate level waste (LILW)-a deep geologic repository (DGR) project for low and intermediate level waste. The waste source term disposed, geologic setting, repository layout and operation, and safety assessment are discussed. It is expected to provide reference for disposal of low and intermediate level waste that contain the higher concentration of long-lived radionuclides in China. (authors)

Amplification of neural stem cell proliferation by intermediate progenitor cells in Drosophila brain development

Directory of Open Access Journals (Sweden)

Bello Bruno C

2008-02-01

Full Text Available Abstract Background In the mammalian brain, neural stem cells divide asymmetrically and often amplify the number of progeny they generate via symmetrically dividing intermediate progenitors. Here we investigate whether specific neural stem cell-like neuroblasts in the brain of Drosophila might also amplify neuronal proliferation by generating symmetrically dividing intermediate progenitors. Results Cell lineage-tracing and genetic marker analysis show that remarkably large neuroblast lineages exist in the dorsomedial larval brain of Drosophila. These lineages are generated by brain neuroblasts that divide asymmetrically to self renew but, unlike other brain neuroblasts, do not segregate the differentiating cell fate determinant Prospero to their smaller daughter cells. These daughter cells continue to express neuroblast-specific molecular markers and divide repeatedly to produce neural progeny, demonstrating that they are proliferating intermediate progenitors. The proliferative divisions of these intermediate progenitors have novel cellular and molecular features; they are morphologically symmetrical, but molecularly asymmetrical in that key differentiating cell fate determinants are segregated into only one of the two daughter cells. Conclusion Our findings provide cellular and molecular evidence for a new mode of neurogenesis in the larval brain of Drosophila that involves the amplification of neuroblast proliferation through intermediate progenitors. This type of neurogenesis bears remarkable similarities to neurogenesis in the mammalian brain, where neural stem cells as primary progenitors amplify the number of progeny they generate through generation of secondary progenitors. This suggests that key aspects of neural stem cell biology might be conserved in brain development of insects and mammals.

Infiltração marginal em restaurações de resina composta com diferentes materiais adesivos intermediários = Marginal leakage in resin composite restorations lined with different adhesive materials

Directory of Open Access Journals (Sweden)

Moraes, Rafael Stanziona de

2007-01-01

Full Text Available Este estudo avaliou a capacidade de selamento de restaurações de resina composta com diferentes materiais adesivos intermediários. Cavidades Classe V padronizadas, com margens em esmalte e dentina/cemento, foram confeccionadas em incisivos bovinos. A resina de alto escoamento Fill Magic (Vigodent e o cimento ionomérico Vitremer (3M ESPE foram empregados como intermediários de restaurações com os compósitos Charisma e Solitaire (Heraeus Kulzer, formando 6 grupos (n = 14: [C1] – compósito microhíbrido Charisma; [C2] – Fill Magic + Charisma; [C3] – Vitremer + Charisma; [S1] – compósito condensável Solitaire; [S2] – Fill magic + Solitaire; [S3] – Vitremer + Solitaire. Após acabamento e polimento, as amostras foram armazenadas em solução fisiológica a 37ºC, por 30 dias, e então imersas em solução de fucsina básica a 0,5% por 24h. Os dentes foram longitudinalmente seccionados e a penetração do corante avaliada sob magnificância (40×, por dois examinadores, com escores padronizados. Os dados foram submetidos ao teste estatístico não-paramétrico de Kruskal-Wallis. Nas margens em esmalte, diferenças significativas foram verificadas apenas para a associação de intermediários à resina Solitaire, com os grupos S2 (p < 0,05 e S3 (p < 0,001 apresentando escores de infiltração significativamente maiores em relação aos demais. As margens em dentina/cemento apresentaram maior penetração em relação às margens em esmalte (p < 0,001. Apenas a associação do Vitremer às duas resinas melhorou o selamento deste substrato, com os grupos C3 (p < 0,001 e S3 (p < 0,05 apresentando os menores escores de infiltração

An Effective Method to Detect Volatile Intermediates Generated in the Bioconversion of Coal to Methane by Gas Chromatography-Mass Spectrometry after In-Situ Extraction Using Headspace Solid-Phase Micro-Extraction under Strict Anaerobic Conditions.

Science.gov (United States)

Liu, Jianmin; Wang, Baoyu; Tai, Chao; Wu, Li; Zhao, Han; Guan, Jiadong; Chen, Linyong

2016-01-01

Bioconversion of coal to methane has gained increased attention in recent decades because of its economic and environmental advantages. However, the mechanism of this process is difficult to study in depth, partly because of difficulties associated with the analysis of intermediates generated in coal bioconversion. In this investigation, we report on an effective method to analyze volatile intermediates generated in the bioconversion of coal under strict anaerobic conditions. We conduct in-situ extraction of intermediates using headspace solid-phase micro-extraction followed by detection by gas chromatography-mass spectrometry. Bioconversion simulation equipment was modified and combined with a solid-phase micro-extraction device. In-situ extraction could be achieved by using the combined units, to avoid a breakdown in anaerobic conditions and to maintain the experiment continuity. More than 30 intermediates were identified qualitatively in the conversion process, and the variation in trends of some typical intermediates has been discussed. Volatile organic acids (C2-C7) were chosen for a quantitative study of the intermediates because of their importance during coal bioconversion to methane. Fiber coating, extraction time, and solution acidity were optimized in the solid-phase micro-extraction procedure. The pressure was enhanced during the bioconversion process to investigate the influence of headspace pressure on analyte extraction. The detection limits of the method ranged from 0.0006 to 0.02 mmol/L for the volatile organic acids and the relative standard deviations were between 4.6% and 11.5%. The volatile organic acids (C2-C7) generated in the bioconversion process were 0.01-1.15 mmol/L with a recovery range from 80% to 105%. The developed method is useful for further in-depth research on the bioconversion of coal to methane.

Intermediate-energy neutron beam for NCT at MURR

International Nuclear Information System (INIS)

Brugger, R.M.; Less, T.J.; Passmore, G.G.

1986-01-01

The University of Missouri Research Reactor (MURR) is one of the high-flux reactors in the USA and it can be used to produce an intense beam of intermediate-energy neutrons for neutron capture therapy. Two methods are being evaluated at MURR to produce such a beam. The first uses a moderator of Al 2 O 3 replacing part of the graphite and water on one side of the core of the reactor to produce a source of predominantly intermediate-energy neutrons. The second method is a filter of 238 U between the core and the patient position to pass only intermediate-energy neutrons. The results of these evaluations are presented in this paper along with an outline of the other resources at the University of Missouri-Columbia that are available to support an NCT program. 4 references, 7 figures, 1 table

Fenton-like oxidation of 4-chlorophenol using H2O2 in situ generated by Zn-Fe-CNTs composite.

Science.gov (United States)

Liu, Yong; Fan, Qing; Liu, Yanlan; Wang, Jianlong

2018-05-15

In this paper, a zinc-iron-carbon nanotubes (Zn-Fe-CNTs) composite was prepared, characterized and used to develop a Fenton-like system of Zn-Fe-CNTs/O 2 for the degradation of 4-chlorophenol (4-CP), in which H 2 O 2 was generated in situ from zinc-carbon galvanic cells and oxygen in aqueous solution was activated by iron attached on the surface of CNTs to produce ·OH radicals for the oxidation of 4-CP. The experimental results showed that the particles of Zn and Fe in Zn-Fe-CNTs composite were adhered to the surface of CNTs, which accelerated the electron transfer process. The BET area of Zn-Fe-CNTs composite was 32.9 m 2 /g. The contents of Zn and Fe (% w) in the composite were 44.7% and 4.2%, respectively. The removal efficiency of 4-CP and TOC in Zn-Fe-CNTs/O 2 system was 90.8% and 52.9%, respectively, with the initial pH of 2.0, O 2 flow rate of 800 mL/min, Zn-Fe-CNTs dosage of 1.0 g/L, 4-CP concentration of 50 mg/L and reaction time of 20 min. Based on the analysis of the degradation intermediate products with LC-MS and IC, a possible degradation pathway of 4-CP in Zn-Fe-CNTs/O 2 system was proposed. Copyright © 2018 Elsevier Ltd. All rights reserved.

Model of cosmology and particle physics at an intermediate scale

International Nuclear Information System (INIS)

Bastero-Gil, M.; Di Clemente, V.; King, S. F.

2005-01-01

We propose a model of cosmology and particle physics in which all relevant scales arise in a natural way from an intermediate string scale. We are led to assign the string scale to the intermediate scale M * ∼10 13 GeV by four independent pieces of physics: electroweak symmetry breaking; the μ parameter; the axion scale; and the neutrino mass scale. The model involves hybrid inflation with the waterfall field N being responsible for generating the μ term, the right-handed neutrino mass scale, and the Peccei-Quinn symmetry breaking scale. The large scale structure of the Universe is generated by the lightest right-handed sneutrino playing the role of a coupled curvaton. We show that the correct curvature perturbations may be successfully generated providing the lightest right-handed neutrino is weakly coupled in the seesaw mechanism, consistent with sequential dominance

Connecting demand and supply: The role of intermediation in public procurement of innovation

OpenAIRE

Yeow, Jillian; Edler, Jakob

2015-01-01

open access article Intermediation in innovation serves to establish or improve the link between different actors with complementary skill sets or interests in order to support the generation and diffusion of innovation. This article conceptualises and analyses intermediation between supply and demand using the example of public procurement of innovation. It defines specific intermediation needs and functions in different procurement situations and outlines the pre-condition for effective ...

Interaction between t-butyl hydroperoxide (I) and positive halogen compounds. part I. Intermediates in the reaction between I and CI2O

NARCIS (Netherlands)

Ham, J. van; Schors, A.; Kooyman, E.C.

1973-01-01

“positive halogen” compounds were found to induce the decomposition of t-butyl hydroperoxide (I) in the dark. In this Cl2O proved to be particularly effective, liberating oxygen from I instantaneously at 0°. At temperature between −80° and −30°, two oxygen-rich intermediates could be observed with

Mechanism for enhanced degradation of clofibric acid in aqueous by catalytic ozonation over MnO{sub x}/SBA-15

Energy Technology Data Exchange (ETDEWEB)

Sun, Qiangqiang; Wang, Yu [School of Chemistry & Environment, South China Normal University, Guangzhou 510006 (China); Li, Laisheng, E-mail: llsh@scnu.edu.cn [School of Chemistry & Environment, South China Normal University, Guangzhou 510006 (China); Bing, Jishuai [Key Laboratory of Aquatic Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); Wang, Yingxin; Yan, Huihua [School of Chemistry & Environment, South China Normal University, Guangzhou 510006 (China)

2015-04-09

Highlights: • Clofibric acid (CA) is efficiently mineralized by O{sub 3}/MnO{sub x}/SBA-15. • Adsorption of CA and its intermediates on MnO{sub x}/SBA-15 is proved unimportant. • Initiation of hydroxyl radicals (·OH) is enhanced in O{sub 3}/MnO{sub x}/SBA-15. • Uniformly distributed MnO{sub x} accounts for the high activity of MnO{sub x}/SBA-15. • Degradation routes of CA in ozonation alone and catalytic ozonation are proposed. - Abstract: Comparative experiments were conducted to investigate the catalytic ability of MnO{sub x}/SBA-15 for the ozonation of clofibric acid (CA) and its reaction mechanism. Compared with ozonation alone, the degradation of CA was barely enhanced, while the removal of TOC was significantly improved by catalytic ozonation (O{sub 3}/MnO{sub x}/SBA-15). Adsorption of CA and its intermediates by MnO{sub x}/SBA-15 was proved unimportant in O{sub 3}/MnO{sub x}/SBA-15 due to the insignificant adsorption of CA and little TOC variation after ceasing ozone in stopped-flow experiment. The more remarkably inhibition effect of sodium bisulfite (NaHSO{sub 3}) on the removal of TOC in catalytic ozonation than in ozonation alone elucidated that MnO{sub x}/SBA-15 facilitated the generation of hydroxyl radicals (·OH), which was further verified by electron spin-resonance spectroscopy (ESR). Highly dispersed MnO{sub x} on SBA-15 were believed to be the main active component in MnO{sub x}/SBA-15. Some intermediates were indentified and different degradation routes of CA were proposed in both ozonation alone and catalytic ozonation. The amounts of small molecular carboxylic acids (i.e., formic acid (FA), acetic acid (AA) and oxalic acid (OA)) generated in catalytic ozonation were lower than in ozonation alone, resulting from the generation of more ·OH.

The influence of CdS intermediate layer on CdSe/CdS co-sensitized free-standing TiO2 nanotube solar cells

Science.gov (United States)

Ren, Xuefeng; Yu, Libo; Li, Zhen; Song, Hai; Wang, Qingyun

2018-01-01

We build CdSe quantum dots (QDs) sensitized TiO2 NT solar cells (CdSe/TiO2 solar cells) by successive ionic layer adsorption reaction (SILAR) method on free-standing translucent TiO2 nanotube (NT) film. The best power conversion efficiency (PCE) 0.74% is obtained with CdSe/TiO2 NT solar cells, however, it is very low. Hence, we introduced the CdS QDs layer located between CdSe QDs and TiO2 NT to achieve an enhanced photovoltaic performance. The J-V test results indicated that the insert of CdS intermediate layer yield a significant improvement of PCE to 2.52%. Combining experimental and theoretical analysis, we find that the effects caused by a translucent TiO2 nanotube film, a better lattices match between CdS and TiO2, and a new formed stepwise band edges structure not only improve the light harvesting efficiency but also increase the driving force of electrons, leading to the improvement of photovoltaic performance.

[Studies in intermediate energy nuclear physics

International Nuclear Information System (INIS)

Peterson, R.J.

1993-01-01

This report summarizes work carried out between October 1, 1992 and September 30, 1993 at the Nuclear Physics Laboratory of the University of Colorado, Boulder. The experimental program in intermediate-energy nuclear physics is very broadly based; it includes pion-nucleon and pion-nucleus studies at LAMPF and TRIUMF, kaon-nucleus scattering at the AGS, and equipment development for experiments at the next generation of accelerator facilities

Elemental abundances of intermediate-age open cluster NGC 3680

Science.gov (United States)

Mitschang, A. W.; De Silva, G. M.; Zucker, D. B.

2012-06-01

We present a new abundance analysis of the intermediate-age Galactic open cluster NGC 3680, based on high-resolution, high signal-to-noise ratio VLT/UVES spectroscopic data. Several element abundances are presented for this cluster for the first time, but most notably we derive abundances for the light and heavy s-process elements Y, Ba, La and Nd. The serendipitous measurement of the rare-earth r-process element Gd is also reported. This cluster exhibits a significant enhancement of Na in giants as compared to dwarfs, which may be a proxy for an O to Na anticorrelation as observed in Galactic globular clusters but not open clusters. We also observe a step-like enhancement of heavy s-process elements towards higher atomic number, contrary to expectations from asymptotic giant branch nucleosynthesis models, suggesting that the r process played a significant role in the generation of both La and Nd in this cluster.

Third generation biosensing matrix based on Fe-implanted ZnO thin film

Science.gov (United States)

Saha, Shibu; Gupta, Vinay; Sreenivas, K.; Tan, H. H.; Jagadish, C.

2010-09-01

Third generation biosensor based on Fe-implanted ZnO (Fe-ZnO) thin film has been demonstrated. Implantation of Fe in rf-sputtered ZnO thin film introduces redox center along with shallow donor level and thereby enhance its electron transfer property. Glucose oxidase (GOx), chosen as model enzyme, has been immobilized on the surface of the matrix. Cyclic voltammetry and photometric assay show that the prepared bioelectrode, GOx/Fe-ZnO/ITO/Glass is sensitive to the glucose concentration with enhanced response of 0.326 μA mM-1 cm-2 and low Km of 2.76 mM. The results show promising application of Fe-implanted ZnO thin film as an attractive matrix for third generation biosensing.

Third generation biosensing matrix based on Fe-implanted ZnO thin film

International Nuclear Information System (INIS)

Saha, Shibu; Gupta, Vinay; Sreenivas, K.; Tan, H. H.; Jagadish, C.

2010-01-01

Third generation biosensor based on Fe-implanted ZnO (Fe-ZnO) thin film has been demonstrated. Implantation of Fe in rf-sputtered ZnO thin film introduces redox center along with shallow donor level and thereby enhance its electron transfer property. Glucose oxidase (GOx), chosen as model enzyme, has been immobilized on the surface of the matrix. Cyclic voltammetry and photometric assay show that the prepared bioelectrode, GOx/Fe-ZnO/ITO/Glass is sensitive to the glucose concentration with enhanced response of 0.326 μA mM -1 cm -2 and low Km of 2.76 mM. The results show promising application of Fe-implanted ZnO thin film as an attractive matrix for third generation biosensing.

Characterization of intermediate products of solar photocatalytic degradation of ranitidine at pilot-scale.

Science.gov (United States)

Radjenović, Jelena; Sirtori, Carla; Petrović, Mira; Barceló, Damià; Malato, Sixto

2010-04-01

In the present study the mechanisms of solar photodegradation of H(2)-receptor antagonist ranitidine (RNTD) were studied in a well-defined system of a pilot plant scale Compound Parabolic Collector (CPC) reactor. Two types of heterogeneous photocatalytic experiments were performed: catalysed by titanium-dioxide (TiO(2)) semiconductor and by Fenton reagent (Fe(2+)/H(2)O(2)), each one with distilled water and synthetic wastewater effluent matrix. Complete disappearance of the parent compounds and discreet mineralization were attained in all experiments. Furthermore, kinetic parameters, main intermediate products, release of heteroatoms and formation of carboxylic acids are discussed. The main intermediate products of photocatalytic degradation of RNTD have been structurally elucidated by tandem mass spectrometry (MS(2)) experiments performed at quadrupole-time of flight (QqToF) mass analyzer coupled to ultra-performance liquid chromatograph (UPLC). RNTD displayed high reactivity towards OH radicals, although a product of conduction band electrons reduction was also present in the experiment with TiO(2). In the absence of standards, quantification of intermediates was not possible and only qualitative profiles of their evolution could be determined. The proposed TiO(2) and photo-Fenton degradation routes of RNTD are reported for the first time. (c) 2010 Elsevier Ltd. All rights reserved.

Peroxo-Type Intermediates in Class I Ribonucleotide Reductase and Related Binuclear Non-Heme Iron Enzymes

DEFF Research Database (Denmark)

Kepp, Kasper Planeta; Bell, Caleb B.; Clay, MIchael D.

2009-01-01

We have performed a systematic study of chemically possible peroxo-type intermediates occurring in the non-heme di-iron enzyme class la ribonucleotide reductase, using spectroscopically calibrated computational chemistry. Density functional computations of equilibrium structures, Fe-O and O-O str...

PNGMDR - Characterisation of intermediate-level long-lived wastes

International Nuclear Information System (INIS)

2014-12-01

This document presents the status of the characterization of intermediate-level long-lived wastes which are warehoused on exploited EDF sites or which will be produced during the deconstruction of first-generation reactors. It addresses aspects related to characterisation and packaging of wastes produced before 2015. More specifically, it addresses aspects related to contamination and to activation. Contamination is assessed by measurements whereas activation assessment is based on numerical simulations associated with measurements performed during parcel production. After having mentioned the concerned reactors, the document presents the methodology adopted for these assessments, and reports the progress status of the characterization process for these intermediate-level long-lived wastes

Forging Fluorine‐Containing Quaternary Stereocenters by a Light‐Driven Organocatalytic Aldol Desymmetrization Process

Science.gov (United States)

Cuadros, Sara; Dell'Amico, Luca

2017-01-01

Abstract Reported herein is a light‐triggered organocatalytic strategy for the desymmetrization of achiral 2‐fluoro‐substituted cyclopentane‐1,3‐diketones. The chemistry is based on an intermolecular aldol reaction of photochemically generated hydroxy‐o‐quinodimethanes and simultaneously forges two adjacent fully substituted carbon stereocenters, with one bearing a stereogenic carbon–fluorine unit. The method uses readily available substrates, a simple chiral organocatalyst, and mild reaction conditions to afford an array of highly functionalized chiral 2‐fluoro‐3‐hydroxycyclopentanones. PMID:28746742

RuO4-mediated oxidation of secondary amines 2. imines as main reaction intermediates

Directory of Open Access Journals (Sweden)

Florea Cristina A.

2017-01-01

Full Text Available Oxidation by RuO4 (generated in situ from RuO2 and NaIO4 of secondary amines such as Bn–NH–CH2R (1; R=H, Me gave complex reaction mixtures, but mainly amides. In the presence of cyanide, the leading products were α-aminonitriles. Comparison of the oxidation products of 1 with those from the corresponding imines PhCH=N–CH2R and Bn–N=CH–R showed that formation of the indicated imines is the first main step in the oxidation of 1. A detailed mechanism is proposed.

Some clues about the interphase reaction between ZnO and MnO2 oxides

International Nuclear Information System (INIS)

Rubio-Marcos, F.; Quesada, A.; Garcia, M.A.; Banares, M.A.; Fierro, J.L.G.; Martin-Gonzalez, M.S.; Costa-Kraemer, J.L.; Fernandez, J.F.

2009-01-01

Raman spectroscopy is used to evidence both the nature of the interphase reaction between ZnO and MnO 2 particles and its kinetic evolution. Zn cations migrate from the ZnO grains during oxygen vacancies formation process and diffuse into the MnO 2 particles leading to an interphase region with an intermediate valence Mn +3 -O-Mn +4 . Large amounts of desorbed Zn cations promote the formation of ZnMn 2 O 4 structure, in addition to the intermediate valence state. The system evolves towards complete formation of the spinel phase at higher thermal treatment times. The reactivity of the ZnO plays an important role in the formation of this interphase. Low-reactivity ZnO powder, in which the oxygen vacancies are previously produced, shows a stabilization of the intermediate valence state with very limited formation of the spinel phase. A clear correlation between the amount of the intermediate state interphase and the magnetic properties has been established. - Graphical abstract: Recently new room temperature interphase magnetism has been reported to appear in ZnO-MnO 2 system. Raman spectroscopy is used to evidence both the nature of the interphase reaction and the kinetic. The interphase evolved towards complete formation of the spinel phase. The reactivity of the ZnO plays an important role in the formation of this interphase. Finally, a clear correlation between the amount of the intermediate valence state and the interphase magnetic properties has been established.

Low and intermediate level radioactive waste in Mexico

International Nuclear Information System (INIS)

Paredes, L.C.; Ortiz, J.R.; Sanchez, S.

2002-01-01

Currently, it is necessary to establish, in a few years, a definitive repository for low and intermediate level radioactive waste in order to satisfy the necessities of Mexico for the next 50 years. Consequently, it is required to estimate the volumes of the radioactive waste generated annually, the stored volumes to-date and their projection to medium-term. On this subject, the annual average production of low and intermediate level radioactive waste from the electricity production by means of nuclear power reactors is 250 m 3 /y which consist of humid and dry solid waste from the 2 units of the Laguna Verde Nuclear Power plant having a re-use efficiency of effluents of 95%. On the other hand, the applications in medicine, industry and research generate 20 m 3 /y of solid waste, 280 m 3 /y of liquid waste and approximately 10 m 3 /y from 300 spent sealed radioactive sources. The estimation of the total volume of these waste to the year 2035 is 17500 m 3 corresponding to the 46% of the volume generated by the operation and maintenance of the 2 units of the Laguna Verde Nuclear Power plant, 34% to the decommissioning of these 2 units at the end of their useful life and 20% to the waste generated by applications in medicine, industry and research. (author)

n-Heptane cool flame chemistry: Unraveling intermediate species measured in a stirred reactor and motored engine

KAUST Repository

Wang, Zhandong

2017-10-03

This work identifies classes of cool flame intermediates from n-heptane low-temperature oxidation in a jet-stirred reactor (JSR) and a motored cooperative fuel research (CFR) engine. The sampled species from the JSR oxidation of a mixture of n-heptane/O2/Ar (0.01/0.11/0.88) were analyzed using a synchrotron vacuum ultraviolet radiation photoionization (SVUV-PI) time-of-flight molecular-beam mass spectrometer (MBMS) and an atmospheric pressure chemical ionization (APCI) Orbitrap mass spectrometer (OTMS). The OTMS was also used to analyze the sampled species from a CFR engine exhaust. Approximately 70 intermediates were detected by the SVUV-PI-MBMS, and their assigned molecular formulae are in good agreement with those detected by the APCI-OTMS, which has ultra-high mass resolving power and provides an accurate elemental C/H/O composition of the intermediate species. Furthermore, the results show that the species formed during the partial oxidation of n-heptane in the CFR engine are very similar to those produced in an ideal reactor, i.e., a JSR.The products can be classified by species with molecular formulae of C7H14Ox (x = 0–5), C7H12Ox (x = 0–4), C7H10Ox (x = 0–4), CnH2n (n = 2–6), CnH2n−2 (n = 4–6), CnH2n+2O (n = 1–4), CnH2nO (n = 1–6), CnH2n−2O (n = 2–6), CnH2n−4O (n = 4–6), CnH2n+2O2 (n = 0–4, 7), CnH2nO2 (n = 1–6), CnH2n−2O2 (n = 2–6), CnH2n−4O2 (n = 4–6), and CnH2nO3 (n = 3–6). The identified intermediate species include alkenes, dienes, aldehyde/keto compounds, olefinic aldehyde/keto compounds, diones, cyclic ethers, peroxides, acids, and alcohols/ethers. Reaction pathways forming these intermediates are proposed and discussed herein. These experimental results are important in the development of more accurate kinetic models for n-heptane and longer-chain alkanes.

Effect of Cu2O morphology on photocatalytic hydrogen generation and chemical stability of TiO2/Cu2O composite.

Science.gov (United States)

Zhu, Lihong; Zhang, Junying; Chen, Ziyu; Liu, Kejia; Gao, Hong

2013-07-01

Improving photocatalytic activity and stability of TiO2/Cu2O composite is a challenge in generating hydrogen from water. In this paper, the TiO2 film/Cu2O microgrid composite was prepared via a microsphere lithography technique, which possesses a remarkable performance of producing H2 under UV-vis light irradiation, in comparison with pure TiO2 film, Cu2O film and TiO2 film/Cu2O film. More interesting is that in TiO2 film/Cu2O microgrid, photo-corrosion of Cu2O can be retarded. After deposition of Pt on its surface, the photocatalytic activity of TiO2/Cu2O microgrid in producing H2 is improved greatly.

Corticotropin-releasing factor (CRF) receptors in intermediate lobe of the pituitary: Biochemical characterization and autoradiographic localization

International Nuclear Information System (INIS)

Grigoriadis, D.E.; De Souza, E.B.

1989-01-01

CRF receptors were characterized using radioligand binding and chemical affinity cross-linking techniques and localized using autoradiographic techniques in porcine, bovine and rat pituitaries. The binding of 125I-[Tyr0]-ovine CRF (125I-oCRF) to porcine anterior and neurointermediate lobe membranes was saturable and of high affinity with comparable KD values (200-600 pM) and receptor densities (100-200 fmoles/mg protein). The pharmacological rank order of potencies for various analogs and fragments of CRF in inhibiting 125I-oCRF binding in neurointermediate lobe was characteristic of the well-established CRF receptor in anterior pituitary. Furthermore, the binding of 125I-oCRF to both anterior and neurointermediate lobes of the pituitary was guanine nucleotide-sensitive. Affinity cross-linking studies revealed that the molecular weight of the CRF binding protein in rat intermediate lobe was identical to that in rat anterior lobe (Mr = 75,000). While the CRF binding protein in the anterior lobes of porcine and bovine pituitaries had identical molecular weights to CRF receptors in rat pituitary (Mr = 75,000), the molecular weight of the CRF binding protein in porcine and bovine intermediate lobe was slightly higher (Mr = 78,000). Pituitary autoradiograms from the three species showed specific binding sites for 125I-oCRF in anterior and intermediate lobes, with none being apparent in the posterior pituitary. The identification of CRF receptors in the intermediate lobe with comparable characteristics to those previously identified in the anterior pituitary substantiate further the physiological role of CRF in regulating intermediate lobe hormone secretion

Microstructural and magnetic properties of L10 FePt-C (0 0 1) textured nanocomposite films grown on different intermediate layers

International Nuclear Information System (INIS)

Chen, J S; Chow, G M; Lim, B C; Hu, J F; Ding, Y F; Ju, G

2008-01-01

The FePt : C films with different volume fractions of carbon and different thicknesses were epitaxially grown on a CrRu(2 0 0) underlayer with Pt and MgO intermediate layers. The magnetic properties and microstructure of these FePt : C films were investigated. The FePt : C films grown on the Pt intermediate layer consisted of a continuous layer of FePt, with overlying granular FePt grains, while the FePt : C films grown on the MgO intermediate layer consisted of granular FePt : C layers with overlying granular grains. The formation of the overlying granular FePt grains was attributed to carbon diffusion to the surface which resulted in the second nucleation of FePt. The different interface energies and surface energies of FePt on Pt and MgO intermediate layers caused the formation of an initial continuous FePt layer on the Pt intermediate layer and initial granular FePt layers on the MgO intermediate layer. The coupling between the continuous FePt layer or the granular FePt layer and the overlying granular FePt grains resulted in simultaneous magnetization reversal and thus strong exchange coupling in FePt : C films.

Dispersão de Biomphalaria straminea, hospedeira intermediária do Schistosoma mansoni, através da distribuição de peixes The spreading of Biomphalaria straminea, intermediate host of Schistosoma mansoni through the distribution of fishes

Directory of Open Access Journals (Sweden)

Renato de R. Corrêa

1970-12-01

Full Text Available Foi focalizado, pela primeira vez o encontro de B. straminea no Estado de São Paulo. Esta espécie vem juntar-se aos planorbídeos já assinalados em nosso Estado. Foram descritos os criadouros, onde a B. straminea foi coletada, localizados em tanques de criação de peixes nas Estações de Piscicultura de Barra Bonita e Americana, Estado de São Paulo, e em um aquário particular na capital dêsse Estado. Fêz-se referência ao transporte de peixes oriundos de zonas do país onde ocorre aquela espécie, Amazonas e Ceará, como responsável pela introdução daquele molusco no Estado. Destacou-se êsse achado pelo perigo que representa a distribuição de peixes da maneira como vem sendo feita atualmente em nosso país, tendo sido julgado necessário o estabelecimento de quarentena para aquêles vindos de zonas infestadas por espécies hospedeiras intermediárias do S. mansoni. Foram relatadas as medidas de combate aos caramujos efetuadas imediatamente após aquela descoberta e os resultados obtidos. Conclui-se que a dispersão passiva da B. straminea pelo transporte de peixes, deve ampliar a distribuição geográfica dêsse planorbídeo, já assinalado na Venezuela, Guianas e no Brasil, sendo que neste último ocorre em tôdas as Unidades Federativas, exceto, no Rio Grande do Sul, Santa Catarina, Rio de Janeiro e Territórios.Up the present, the works of collecting planorbids done in 226 municipalities for the elaboration of the geographical distribution chart in the State of São Paulo (Brazil, showed the presence of two intermediate host species of Schistosoma mansoni: Biomphalaria tenagophila and Biompralaria glabrata. Although the technicians from the Psiculture Stations, have not found snails in the water inside the containers used for the transportation of fishes, the ecological conditions of B. straminea in the latest researches are such as to indicate that they have been introduced, in our State through fish transportation imported

Intermediate treatments

Science.gov (United States)

John R. Jones; Wayne D. Shepperd

1985-01-01

Intermediate treatments are those applied after a new stand is successfully established and before the final harvest. These include not only intermediate cuttings - primarily thinning - but also fertilization, irrigation, and protection of the stand from damaging agents.

Intermediate organizations in the innovation process in Mexico

Directory of Open Access Journals (Sweden)

Maria del Pilar Monserrat Pérez Hernández

2016-07-01

Full Text Available The innovation activity depends strongly on the interaction between generating actors and end-users of new knowledge and technologies. There are several intermediate organizations (IO that facilitate translating the needs of the users with the new technologies that are beingdeveloped, in order to satisfy more effectively their demands. This paper analyzes the mediation process involved in the IO in innovative activity in Mexico, to identify structural holes in the innovation process. The relevant results in the Mexican intermediation process points that threeimportant structural holes of the process are missing: one between the negotiation process and sponsorship, the second in marketing and commercial profit of the obtained results and the last one in the regulation and referring activities. It is very important that the detected missinglinks in the intermediation process are filled, because they can hinder considerably the overall profit and benefits that society could obtained of the innovation process.

Synthesized TiO{sub 2}/ZSM-5 composites used for the photocatalytic degradation of azo dye: Intermediates, reaction pathway, mechanism and bio-toxicity

Energy Technology Data Exchange (ETDEWEB)

Zhou, Kefu; Hu, Xin-Yan [College of the Environment and Ecology, Xiamen University, Xiamen (China); Chen, Bor-Yann; Hsueh, Chung-Chuan [Department of Chemical and Materials Engineering, National I-Lan University, I-Lan, Taiwan (China); Zhang, Qian [Department of Environmental Engineering, National Taiwan University, Taipei, Taiwan (China); Wang, Jiajie; Lin, Yu-Jung [College of the Environment and Ecology, Xiamen University, Xiamen (China); Chang, Chang-Tang, E-mail: ctchang73222@gmail.com [Department of Environmental Engineering, National I-Lan University, I-Lan, Taiwan (China)

2016-10-15

Highlights: • The major photo-catalytic degradation pathway of azo-dye was elaborated according to the identification of by-products from GC–MS and IC analysis. • Comparative assessment on characteristics of abiotic and biotic dye decolorization was analyzed. • EDTA (hole scavengers) and t-BuOH (radical scavengers) were used to determine the main active oxidative species in the system. • The toxicity effects of degradation intermediates of Reactive Black 5 (RB5) on the cellular respiratory activity were assessed. - Abstract: In this study, a one-step solid dispersion method was used to synthesize titanium dioxide (TiO{sub 2})/Zeolite Socony Mobil-5 (ZSM-5) composites with substantially reduced time and energy consumption. A degradation efficiency of more than 95% was achieved within 10 min using 50% PTZ (synthesized TiO{sub 2}/ZSM-5 composites with TiO{sub 2} contents of 50 wt% loaded on ZSM-5) at pH 7 and 25 °C. The possible degradation pathway of azo-dye Reactive Black 5 (RB5) was investigated using gas chromatography–mass spectrometry and ion chromatography (IC). The bonds between the N atoms and naphthalene groups are likely attacked first and cleaved by hydroxyl radicals, ultimately resulting in the decolorization and mineralization of the azo dye. A comparative assessment of the characteristics of abiotic and biotic dye decolorization was completed. In addition, the toxicity effects of the degradation intermediates of azo-dye RB5 on cellular respiratory activity were analyzed. The bio-toxicity results showed that the decay rate constants of CO{sub 2} production from the azo-dye RB5 samples at different degradation times increased initially and subsequently decreased, indicating that intermediates of higher toxicity could adhere to the catalyst surface and gradually destroyed by further photocatalytic oxidation. Additionally, EDTA (hole scavengers) and t-BuOH (radical scavengers) were used to detect the main active oxidative species in the system

Lead-free LiNbO3 nanowire-based nanocomposite for piezoelectric power generation

Science.gov (United States)

2014-01-01

In a flexible nanocomposite-based nanogenerator, in which piezoelectric nanostructures are mixed with polymers, important parameters to increase the output power include using long nanowires with high piezoelectricity and decreasing the dielectric constant of the nanocomposite. Here, we report on piezoelectric power generation from a lead-free LiNbO3 nanowire-based nanocomposite. Through ion exchange of ultra-long Na2Nb2O6-H2O nanowires, we synthesized long (approximately 50 μm in length) single-crystalline LiNbO3 nanowires having a high piezoelectric coefficient (d33 approximately 25 pmV-1). By blending LiNbO3 nanowires with poly(dimethylsiloxane) (PDMS) polymer (volume ratio 1:100), we fabricated a flexible nanocomposite nanogenerator having a low dielectric constant (approximately 2.7). The nanogenerator generated stable electric power, even under excessive strain conditions (approximately 105 cycles). The different piezoelectric coefficients of d33 and d31 for LiNbO3 may have resulted in generated voltage and current for the e33 geometry that were 20 and 100 times larger than those for the e31 geometry, respectively. This study suggests the importance of the blending ratio and strain geometry for higher output-power generation in a piezoelectric nanocomposite-based nanogenerator. PACS 77.65.-j; 77.84.-s; 73.21.Hb PMID:24386884

Hydrozirconation of lithium alkynylselenolate anions. Generation and reactions of alpha-zirconated vinyl selenide intermediates

Science.gov (United States)

Dabdoub; Begnini; Guerrero; Baroni

2000-01-14

Lithium alkynylselenolate anions react completely with 1.0 equiv of Cp(2)Zr(H)Cl in THF at room temperature to give exclusively the alpha-zirconated vinylselenolate intermediates 23-27, which by treatment with an alkyl halide afforded the alpha-zirconated vinyl alkylselenide intermediates 29-33. Reaction of 29-33 with butyltellurenyl bromide results in the formation of ketene telluro(seleno) acetals 35-39 with total control of the regio- and stereochemistry. The synthetic utility of the ketene telluro(seleno) acetals obtained here was demonstrated by reaction of 36 with butyllithium. This promotes the exclusive and stereospecific removal of the tellurium moiety and enables formation of the corresponding selenium-containing allylic alcohol of type 44, alpha-(alkylseleno)-alpha,beta-unsaturated aldehyde 45, ester 46, or carboxylic acid 47, after reaction with different types of electrophiles.

Caracterização tecnológica de extrusados de terceira geração à base de farinhas de mandioca e pupunha Technological chracterization of third generation extruded from cassava (Manihot esculenta crantz and pupunha (Bactris gasipaes kunth. flour

Directory of Open Access Journals (Sweden)

Ana Vânia Carvalho

2010-08-01

Full Text Available Conduziu-se este trabalho,com o objetivo de estudar as propriedades funcionais tecnológicas de extrusados de terceira geração obtidos de misturas de farinhas de pupunha (Bactris gasipaes Kunth. e mandioca (Manihot esculenta Crantz, por meio das análises de densidade aparente, índice de absorção de água, índice de solubilidade em água e viscosidade de pasta (RVA. Os extrusados foram formulados, adicionando-se 15, 20 e 25% de farinha de pupunha à farinha de mandioca, sendo processados em extrusora monorosca, escala piloto. Os parâmetros de extrusão foram fixos, utilizando-se cinco zonas de extrusão com temperaturas de 30ºC, 40ºC, 60ºC, 65ºC e 70ºC; velocidade do parafuso 177rpm; taxa de alimentação 292g/min e matriz laminar de 1mm. Os extrusados de terceira geração obtidos apresentaram valores relativamente baixos ou intermediários de IAA e ISA, variando de 5,01 a 6,48g/g e 5,37 a 7,34% para IAA e ISA, respectivamente. Após o processo de fritura dos extrusados, observou-se expansão e, consequentemente, redução na densidade aparente dos mesmos. O desenvolvimento ou aplicação de tecnologias como a extrusão, que permitam o aproveitamento de matérias-primas regionais, entre elas a mandioca e a pupunha, é uma forma de agregação de valor às riquezas existentes e, ao mesmo tempo, possibilita a diversificação de novos produtos alimentícios prontos para o consumo.The objective of this work was to study the technological functional properties of third generation extruded products obtained from cassava (Manihot esculenta Crantz and pupunha (Bactris gasipaes Kunth. flour mixtures, in terms of apparent density, water absorption index (WAI, water solubility index (WSI and paste viscosity. The extruded products were formulated by adding 15%, 20% or 25% pupunha flour to cassava flour, and processing the mixtures in a pilot scale single screw extruder. The extrusion parameters were fixed by using five extrusion zones (at 30º

Biogenic mixing induced by intermediate Reynolds number swimming in stratified fluids

Science.gov (United States)

Wang, Shiyan; Ardekani, Arezoo M.

2015-01-01

We study fully resolved motion of interacting swimmers in density stratified fluids using an archetypal swimming model called “squirmer”. The intermediate Reynolds number regime is particularly important, because the vast majority of organisms in the aphotic ocean (i.e. regions that are 200 m beneath the sea surface) are small (mm-cm) and their motion is governed by the balance of inertial and viscous forces. Our study shows that the mixing efficiency and the diapycnal eddy diffusivity, a measure of vertical mass flux, within a suspension of squirmers increases with Reynolds number. The mixing efficiency is in the range of O(0.0001–0.04) when the swimming Reynolds number is in the range of O(0.1–100). The values of diapycnal eddy diffusivity and Cox number are two orders of magnitude larger for vertically swimming cells compared to horizontally swimming cells. For a suspension of squirmers in a decaying isotropic turbulence, we find that the diapycnal eddy diffusivity enhances due to the strong viscous dissipation generated by squirmers as well as the interaction of squirmers with the background turbulence. PMID:26628288

Thermal decomposition of barium ferrate(VI): Mechanism and formation of FeIV intermediate and nanocrystalline Fe2O3 and ferrite

International Nuclear Information System (INIS)

Machala, Libor; Sharma, Virender K.; Kuzmann, Ernö; Homonnay, Zoltán; Filip, Jan; Kralchevska, Radina P.

2016-01-01

Simple high-valent iron-oxo species, ferrate(VI) (Fe VI O 4 2− , Fe(VI)) has applications in energy storage, organic synthesis, and water purification. Of the various salts of Fe(VI), barium ferrate(VI) (BaFeO 4 ) has also a great potential as a battery material. This paper presents the thermal decomposition of BaFeO 4 in static air and nitrogen atmosphere, monitored by combination of thermal analysis, Mössbauer spectroscopy, X-ray powder diffraction, and electron-microscopic techniques. The formation of Fe IV species in the form of BaFeO 3 was found to be the primary decomposition product of BaFeO 4 at temperature around 190 °C under both studied atmospheres. BaFeO 3 was unstable in air reacting with CO 2 to form barium carbonate and speromagnetic amorphous iron(III) oxide nanoparticles (<5 nm). Above 600 °C, a solid state reaction between BaCO 3 and Fe 2 O 3 occurred, leading to the formation of barium ferrite nanoparticles, BaFe 2 O 4 (20–100 nm). - Highlights: • We explained the mechanism of thermal decomposition of barium ferrate(VI). • We confirmed the formation of Fe(IV) intermediate phase during the decomposition. • The mechanism of the decomposition is influenced by a presence of carbon dioxide.

Next Generation Nuclear Plant Intermediate Heat Exchanger Acquisition Strategy

Energy Technology Data Exchange (ETDEWEB)

Mizia, Ronald Eugene [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2008-04-01

DOE has selected the High Temperature Gas-cooled Reactor (HTGR) design for the Next Generation Nuclear Plant (NGNP) Project. The NGNP will demonstrate the use of nuclear power for electricity and hydrogen production. It will have an outlet gas temperature in the range of 900°C to 950°C and a plant design service life of 60 years. The reactor design will be a graphite moderated, helium cooled, prismatic or pebble-bed reactor, and use low-enriched uranium, TRISO-coated fuel. The plant size, reactor thermal power, and core configuration will ensure passive decay heat removal without fuel damage or radioactive material releases during accidents. The NGNP Materials Research and Development (R&D) Program is responsible for performing R&D on likely NGNP materials in support of the NGNP design, licensing, and construction activities. Selection of the technology and design configuration for the NGNP must consider both the cost and risk profiles to ensure that the demonstration plant establishes a sound foundation for future commercial deployments. The NGNP challenge is to achieve a significant advancement in nuclear technology while at the same time setting the stage for an economically viable deployment of the new technology in the commercial sector soon after 2020. The purpose of this report is to address the acquisition strategy for the NGNP Intermediate Heat Exchanger (IHX).This component will be operated in flowing, impure helium on the primary and secondary side at temperatures up to 950°C. There are major high temperature design, materials availability, and fabrication issues that need to be addressed. The prospective materials are Alloys 617, 230, 800H and X, with Alloy 617 being the leading candidate for the use at 950°C. The material delivery schedule for these materials does not pose a problem for a 2018 start up as the vendors can quote reasonable delivery times at the moment. The product forms and amount needed must be finalized as soon as possible. An

Noble-metal-free NiO@Ni-ZnO/reduced graphene oxide/CdS heterostructure for efficient photocatalytic hydrogen generation

Science.gov (United States)

Chen, Fayun; Zhang, Laijun; Wang, Xuewen; Zhang, Rongbin

2017-11-01

Noble-metal-free semiconductor materials are widely used for photocatalytic hydrogen generation because of their low cost. ZnO-based heterostructures with synergistic effects exhibit an effective photocatalytic activity. In this work, NiO@Ni-ZnO/reduced graphene oxide (rGO)/CdS heterostructures are synthesized by a multi-step method. rGO nanosheets and CdS nanoparticles were introduced into the heterostructures via a redox reaction and light-assisted growth, respectively. A novel Ni-induced electrochemical growth method was developed to prepare ZnO rods from Zn powder. NiO@Ni-ZnO/rGO/CdS heterostructures with a wide visible-light absorption range exhibited highly photocatalytic hydrogen generation rates under UV-vis and visible light irradiation. The enhanced photocatalytic activity is attributed to the Ni nanoparticles that act as cocatalysts for capturing photoexcited electrons and the improved synergistic effect between ZnO and CdS due to the rGO nanosheets acting as photoexcited carrier transport channels.

Field-enhanced route to generating anti-Frenkel pairs in HfO2

Science.gov (United States)

Schie, Marcel; Menzel, Stephan; Robertson, John; Waser, Rainer; De Souza, Roger A.

2018-03-01

The generation of anti-Frenkel pairs (oxygen vacancies and oxygen interstitials) in monoclinic and cubic HfO2 under an applied electric field is examined. A thermodynamic model is used to derive an expression for the critical field strength required to generate an anti-Frenkel pair. The critical field strength of EaFcr˜101GVm-1 obtained for HfO2 exceeds substantially the field strengths routinely employed in the forming and switching operations of resistive switching HfO2 devices, suggesting that field-enhanced defect generation is negligible. Atomistic simulations with molecular static (MS) and molecular dynamic (MD) approaches support this finding. The MS calculations indicated a high formation energy of Δ EaF≈8 eV for the infinitely separated anti-Frenkel pair, and only a decrease to Δ EaF≈6 eV for the adjacent anti-Frenkel pair. The MD simulations showed no defect generation in either phase for E <3 GVm-1 , and only sporadic defect generation in the monoclinic phase (at E =3 GVm-1 ) with fast (trec<4 ps ) recombination. At even higher E but below EaFcr both monoclinic and cubic structures became unstable as a result of field-induced deformation of the ionic potential wells. Further MD investigations starting with preexisting anti-Frenkel pairs revealed recombination of all pairs within trec<1 ps , even for the case of neutral vacancies and charged interstitials, for which formally there is no electrostatic attraction between the defects. In conclusion, we find no physically reasonable route to generating point-defects in HfO2 by an applied field.

A density functional theory study of partial oxidation of propylene on Cu2O(0 0 1) and CuO(0 0 1) surfaces

International Nuclear Information System (INIS)

Düzenli, Derya; Atmaca, Deniz Onay; Gezer, Miray Gülbiter; Onal, Isik

2015-01-01

Graphical abstract: - Highlights: • Propylene epoxidation mechanism on Cu 2 O(0 0 1) and CuO(0 0 1) surfaces is investigated using DFT method. • Acrolein is found to be a thermodynamically more favorable product for both surfaces especially over CuO surface. • The more basic property of the surface oxygen increases the probability of acrolein formation over CuO(0 0 1) surface. - Abstract: This work theoretically investigates propylene epoxidation reaction on Cu 2 O(0 0 1) and CuO(0 0 1) surfaces using periodical DFT method to determine the active copper species within the reaction mechanism. The transition states and energy profiles are calculated for the formation of surface intermediates such as oxametallopropylene (OMP) over Cu 2 O(0 0 1) and oxygen bridging (OB) over CuO(0 0 1) and allylic H-stripping reaction (AHS) over both surfaces as well as for formation of products. Propylene oxide (PO) and acetone are obtained through OMP and OB surface intermediates and acrolein generation is observed through allylic H-stripping reaction (AHS). The calculations revealed that the corresponding surface intermediates for epoxidation reaction need to overcome an activation barrier of 13 kcal/mol over CuO surface whereas they occur without an energy barrier over Cu 2 O surface indicating the higher activity of Cu + species. Acrolein is also found to be a thermodynamically more favorable product for both surfaces especially over CuO surface due to the presence of more surface oxygen atoms on which the basicity has been evaluated by the adsorption of sulfur dioxide. This indicates that the lattice oxygen inherent in both surface types does not participate in PO production.

Continuous Flow-Resonance Raman Spectroscopy of an Intermediate Redox State of Cytochrome-C

DEFF Research Database (Denmark)

Forster, M.; Hester, R. E.; Cartling, B.

1982-01-01

An intermediate redox state of cytochrome c at alkaline pH, generated upon rapid reduction by sodium dithionite, has been observed by resonance Raman (RR) spectroscopy in combination with the continuous flow technique. The RR spectrum of the intermediate state is reported for excitation both...... in the (alpha, beta) and the Soret optical absorption band. The spectra of the intermediate state are more like those of the stable reduced form than those of the stable oxidized form. For excitation of 514.5 nm, the most prominent indication of an intermediate state is the wave-number shift of one RR band from...... 1,562 cm-1 in the stable oxidized state through 1,535 cm-1 in the intermediate state to 1,544 cm-1 in the stable reduced state. For excitation at 413.1 nm, a band, present at 1,542 cm-1 in the stable reduced state but not present in the stable oxidized state, is absent in the intermediate state. We...

Ammonia oxidation at high pressure and intermediate temperatures

DEFF Research Database (Denmark)

Song, Yu; Hashemi, Hamid; Christensen, Jakob Munkholt

2016-01-01

were interpreted in terms of a detailed chemical kinetic model. The rate constant for the reaction of the important intermediate H2NO with O2 was determined from ab initio calculations to be 2.3 × 102 T2.994 exp (−9510 K/T) cm3 mol−1 s−1. The agreement between experimental results and model work...

Dual mode emission and harmonic generation in ZnO-CaO-Al{sub 2}O{sub 3}: Er{sup 3+} nano-composite

Energy Technology Data Exchange (ETDEWEB)

Verma, R.K. [Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005 (India); Kumar, K. [Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005 (India); Nano-technology Application Centre, University of Allahabad, Allahabad (India); Rai, S.B., E-mail: sbrai49@yahoo.co.i [Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005 (India)

2011-05-15

Er{sup 3+} doped ZnO-CaO-Al{sub 2}O{sub 3} nano-composite phosphor has been synthesized through combustion method and its emission and harmonic generation properties have been studied. The X-ray diffraction and thermal analysis techniques have been used to prove the dual phase (ZnO and CaO-Al{sub 2}O{sub 3}) nature of the phosphor. The phosphor has shown up-conversion emission on near-infra-red (976 nm) excitation and down-conversion emission on 355 nm excitation in presence of Er{sup 3+} and thus behaves as a dual mode phosphor. On excitation with 976 nm diode laser, material shows color tunability (calcination of composite material at different temperatures). Formation of ZnO nanocrystals on heat treatment of as-synthesized sample has shown its characteristic emission at 388 nm and also the energy transfer from ZnO to Er{sup 3+} ions. The low temperature emission measurements have been carried out and the results have been discussed. Phosphor has shown strong second harmonic generation (SHG) at 532 nm on 1064 nm and at 266 nm on 532 nm excitation. - Research highlights: {yields} We have synthesized Er{sup 3+} doped composite material by combustion method. The two phases of composites are ZnO and CaO-Al{sub 2}O{sub 3}. {yields} The phosphor has shown up-conversion emission on near-infra-red (976 nm) excitation and down-conversion emission on 355 nm excitation in presence of Er{sup 3+} and thus behaves as a dual mode phosphor. This material also shows colour tenability on excitation of 976 nm diode laser at different temperature calcinations (i.e., As-synthesized to calcinated at 1473 K). {yields} Low temperature effects on Er{sup 3+} as well as ZnO emission have been carried out. We observed that at low temperature the efficiency of Er{sup 3+} increases while in the case of ZnO its intensity increases and also 12 nm shifting observed. {yields} Composite material has shown strong second harmonic generation (SHG) at 532 nm on 1064 nm and at 266 nm on 532 nm

A density functional theory study of partial oxidation of propylene on Cu{sub 2}O(0 0 1) and CuO(0 0 1) surfaces

Energy Technology Data Exchange (ETDEWEB)

Düzenli, Derya [Chemical Engineering Department, Middle East Technical University, 06800 Ankara (Turkey); Mineral Analysis and Technology, General Directorate of Mineral Research and Exploration, 06800 Ankara (Turkey); Atmaca, Deniz Onay; Gezer, Miray Gülbiter [Chemical Engineering Department, Middle East Technical University, 06800 Ankara (Turkey); Onal, Isik, E-mail: ional@metu.edu.tr [Chemical Engineering Department, Middle East Technical University, 06800 Ankara (Turkey)

2015-11-15

Graphical abstract: - Highlights: • Propylene epoxidation mechanism on Cu{sub 2}O(0 0 1) and CuO(0 0 1) surfaces is investigated using DFT method. • Acrolein is found to be a thermodynamically more favorable product for both surfaces especially over CuO surface. • The more basic property of the surface oxygen increases the probability of acrolein formation over CuO(0 0 1) surface. - Abstract: This work theoretically investigates propylene epoxidation reaction on Cu{sub 2}O(0 0 1) and CuO(0 0 1) surfaces using periodical DFT method to determine the active copper species within the reaction mechanism. The transition states and energy profiles are calculated for the formation of surface intermediates such as oxametallopropylene (OMP) over Cu{sub 2}O(0 0 1) and oxygen bridging (OB) over CuO(0 0 1) and allylic H-stripping reaction (AHS) over both surfaces as well as for formation of products. Propylene oxide (PO) and acetone are obtained through OMP and OB surface intermediates and acrolein generation is observed through allylic H-stripping reaction (AHS). The calculations revealed that the corresponding surface intermediates for epoxidation reaction need to overcome an activation barrier of 13 kcal/mol over CuO surface whereas they occur without an energy barrier over Cu{sub 2}O surface indicating the higher activity of Cu{sup +} species. Acrolein is also found to be a thermodynamically more favorable product for both surfaces especially over CuO surface due to the presence of more surface oxygen atoms on which the basicity has been evaluated by the adsorption of sulfur dioxide. This indicates that the lattice oxygen inherent in both surface types does not participate in PO production.

Composição químico-bromatológica de variedades de cana-de-açúcar (Saccharum spp L. com diferentes ciclos de produção (precoce e intermediário em três idades de corte Chemical composition of sugar cane varieties (Saccharum spp L. with different cycles of production in three cut time

Directory of Open Access Journals (Sweden)

Alberto Magno Fernandes

2003-08-01

Full Text Available Foram objetivos deste trabalho determinar a composição químico- bromatológica, as frações potencialmente degradável (B2 e indegradável (C da FDN dos carboidratos totais e estimar a repleção ruminal da cana-de-açúcar com diferentes ciclos de produção (precoce e intermediário, em três idades de corte (426, 487 e 549 dias. As análises laboratoriais consistiram na determinação da matéria seca (MS, matéria orgânica, matéria mineral, proteína bruta (PB, extrato etéreo, lignina, fibra em detergente neutro (FDN, FDN corrigida para cinzas e proteína, fibra em detergente ácido (FDA, proteína insolúvel em detergente neutro, proteína insolúvel em detergente ácido e proteína solúvel em detergente neutro. Os nutrientes digestíveis totais (NDT foram calculados por intermédio da composição química. As frações B2, C e a taxa de digestão da fibra, bem como a repleção ruminal, foram estimadas através de parâmetros cinéticos obtidos a partir da incubação in situ. O avanço da idade de corte propiciou aumento nos teores de MS em 9,5%. As variedades intermediárias apresentaram NDT superiores às precoces, as quais destacaram-se pelos mais elevados teores de FDN e FDA, cujos respectivos valores foram 487,56 e 471,03, e 287,87 e 247,54 g/kg MS para as variedades precoces e intermediárias, respectivamente. O NDT aumentou linearmente com a idade de corte, variando de 62,45 a 63,50%; contudo, os teores de FDN e FDA apresentaram comportamento quadrático. As variedades precoces apresentaram maior teor de PB que as intermediárias somente na idade ao corte de 549 dias, contrariamente, o teor de brix foi superior para as variedades intermediárias no último corte. As variedades precoces apresentaram maior repleção ruminal total e menor taxa de digestão da fibra. A fração B2 da fibra, foi reduzida e a C foi linearmente aumentada com a idade das plantas.The objectives of this work were to determine the chemical

The ceramic SiO2 and SiO2-TiO2 coatings on biomedical Ti6Al4VELI titanium alloy

International Nuclear Information System (INIS)

Surowska, B.; Walczak, M.; Bienias, J.

2004-01-01

The paper presents the study of intermediate SiO 2 and SiO 2 -TiO 2 sol-gel coatings and dental porcelain coatings on Ti6Al4VELI titanium alloy. Surface microstructures and wear behaviour by pin-on-disc method of the ceramic coatings were investigated. The analysis revealed: (1) a compact, homogeneous SiO 2 and SiO 2 -TiO 2 coating and (2) that intermediate coatings may provide a durable joint between metal and porcelain, and (3) that dental porcelain on SiO 2 and TiO 2 coatings shows high wear resistance. (author)

Preparation and recording characteristics of granular-type perpendicular magnetic recording media with thin intermediate layer

International Nuclear Information System (INIS)

Shintaku, K.; Kiya, T.

2008-01-01

Granular-type media with thin Ru intermediate layer were prepared on a highly oriented high-B s FeCo soft underlayer (SUL). A CoPt-TiO 2 recording layer on a Ru intermediate layer of only 2 nm had high-crystal orientation, high H c of 6.5 kOe, and a high squareness ratio (SQ) of 0.99. The magnetic property of the SUL was also good. The recording performance was measured for the media with different Ru intermediate thicknesses by using a single-pole-type (SPT) head. The media had large reproduced output even for the Ru intermediate layer thickness of 2 nm

Preparation and recording characteristics of granular-type perpendicular magnetic recording media with thin intermediate layer

Energy Technology Data Exchange (ETDEWEB)

Shintaku, K. [Akita Research Institute of Advanced Technology, Akita Prefectural R and D Center, 4-21 Sanuki, Araya, Akita 010-1623 (Japan)], E-mail: shintaku@ait.pref.akita.jp; Kiya, T. [Akita Research Institute of Advanced Technology, Akita Prefectural R and D Center, 4-21 Sanuki, Araya, Akita 010-1623 (Japan)

2008-11-15

Granular-type media with thin Ru intermediate layer were prepared on a highly oriented high-B{sub s} FeCo soft underlayer (SUL). A CoPt-TiO{sub 2} recording layer on a Ru intermediate layer of only 2 nm had high-crystal orientation, high H{sub c} of 6.5 kOe, and a high squareness ratio (SQ) of 0.99. The magnetic property of the SUL was also good. The recording performance was measured for the media with different Ru intermediate thicknesses by using a single-pole-type (SPT) head. The media had large reproduced output even for the Ru intermediate layer thickness of 2 nm.

Photo-driven autonomous hydrogen generation system based on hierarchically shelled ZnO nanostructures

International Nuclear Information System (INIS)

Kim, Heejin; Yong, Kijung

2013-01-01

A quantum dot semiconductor sensitized hierarchically shelled one-dimensional ZnO nanostructure has been applied as a quasi-artificial leaf for hydrogen generation. The optimized ZnO nanostructure consists of one dimensional nanowire as a core and two-dimensional nanosheet on the nanowire surface. Furthermore, the quantum dot semiconductors deposited on the ZnO nanostructures provide visible light harvesting properties. To realize the artificial leaf, we applied the ZnO based nanostructure as a photoelectrode with non-wired Z-scheme system. The demonstrated un-assisted photoelectrochemical system showed the hydrogen generation properties under 1 sun condition irradiation. In addition, the quantum dot modified photoelectrode showed 2 mA/cm 2 current density at the un-assisted condition

Patient Destination after Discharge from Intensive Care Units: Wards or Intermediate Care Units? Destino del paciente después de recibir el alta médica de la unidad de cuidados intensivos: ¿unidad de internación o intermedia? Destino do paciente após alta da unidade de terapia intensiva: unidade de internação ou intermediária?

Directory of Open Access Journals (Sweden)

Maria Claudia Moreira da Silva

2010-04-01

Full Text Available This study characterizes patients hospitalized in Intensive Care Units (ICUs of hospitals that have intermediate units (IU regarding their demographic and clinical data and identifies factors related to discharge from these units. This prospective longitudinal study involved 600 adult patients hospitalized in general ICUs in four hospitals in São Paulo, SP, Brazil. Demographic and clinical characteristics were similar to those found in other studies addressing patients hospitalized in ICUs. Factors associated with discharge from ICU to IU were: age ≥60 years, diseases related to the nervous, circulatory or respiratory systems, originated from the IU, and Simplified Acute Physiologic Score II (SAPS II, Logistic Organ Dysfunction (LODS and Nursing Activities Scores (NAS at admission and discharge from the ICU. Age and risk of death at admission in the ICU, according to SAPS II, stood out as indicators of discharge to IUs in the Multiple Logistic Regression analysis.Este estudio tuvo como objetivos caracterizar a los pacientes internados en unidades de terapia intensiva (UTI de hospitales con unidades intermediarias - en lo que se refiere a los datos demográficos y clínicos - e identificar los factores relacionados con el alta médica para esa unidad. Es estudio prospectivo longitudinal, con 600 pacientes adultos, internados en UTIs generales de cuatro hospitales del municipio de Sao Paulo. En los resultados, las características demográficas y clínicas fueron similares a las descritas en otros estudios sobre pacientes en UTIs. Los factores asociados con el alta hospitalaria para la unidad intermediaria fueron: edad ≥60 años, antecedentes relacionados al sistema nervioso, circulatorio o respiratorio, procedencia de la unidad intermediaria y valores del Simplified Acute Physiologic Score II (SAPS II, Logistic Organ Dysfunction (LODS y Nursing Activities Score (NAS en la admisión y el alta de la UTI. En el análisis de regresión log

Fabricated catecholic films are capable of redox-cycling and H2O2-generation in the absence of enzymes

Science.gov (United States)

The redox activity of quinones is integral to their physiological function in the electron transfer pathways of respiration and photosynthesis. Quinones and phenolic radicals are also intermediates in the biosynthesis of macromolecular structures (lignins and melanins) generated by plants and insec...

Partitioning of Cu between mafic minerals, Fe-Ti oxides and intermediate to felsic melts

Science.gov (United States)

Liu, Xingcheng; Xiong, Xiaolin; Audétat, Andreas; Li, Yuan

2015-02-01

This study used improved capsule technique i.e., Pt95Cu05 or Au95Cu05 alloy capsules as Cu sources to determine Cu partitioning between mafic minerals, Fe-Ti oxides and intermediate to felsic melts at 0.5-2.5 GPa, 950-1100 °C and various oxygen fugacities (fO2). In combination with the data from the mafic composition systems, the results demonstrate that Cu is generally highly incompatible in mafic minerals and moderately incompatible to compatible in Fe-Ti oxides. The general order of mineral/melt Cu partition coefficients (DCu) is garnet (0.01-0.06) ⩽ olivine (0.04-0.20) ≈ opx (0.04-0.24) ≈ amphibole (0.04-0.20) ⩽ cpx (0.04-0.45) ⩽ magnetite, titanomagnetite and Cr-spinel (0.18-1.83). The variations in DCu depend mainly on temperature, fO2 or mineral composition. In general, DCu for olivine (and perhaps opx) increases with decreasing temperature and increasing fO2. DCu increases for cpx with Na+ (pfu) in cpx, for magnetite and Cr-spinel with Fe3+ (pfu) in these phases and for titanomagnetite with Ti4+ (pfu) in this phase. The large number of DCu data (99 pairs) serves as a foundation for quantitatively understanding the behavior of Cu during magmatic processes. The generation of intermediate to felsic magmas via fractional crystallization or partial melting of mafic rocks (magmas) at deep levels of crust involves removal of or leaving assemblages of mafic minerals + Fe-Ti oxides ± sulfides. With our DCu data on mafic minerals and Fe-Ti oxides, DCubulk values around 0.2 were obtained for the sulfide-free assemblages. Cu will thus be concentrated efficiently in the derived melts during these two processes if sulfides are absent or negligible, explaining that high fO2 and sulfide-destabilization are favorable to formation of the porphyry Cu system.

La{sub 0.84}Sr{sub 0.16}MnO{sub 3-{delta}} cathodes impregnated with Bi{sub 1.4}Er{sub 0.6}O{sub 3} for intermediate-temperature solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Li, Junliang; Wang, Shaorong; Wang, Zhenrong; Liu, Renzhu; Wen, Tinglian; Wen, Zhaoyin [The Key Laboratory of Energy Conversion Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China)

2009-12-01

La{sub 0.84}Sr{sub 0.16}MnO{sub 3-{delta}}-Bi{sub 1.4}Er{sub 0.6}O{sub 3} (LSM-ESB) composite cathodes are fabricated by impregnating LSM electronic conducting matrix with the ion-conducting ESB for intermediate-temperature solid oxide fuel cells (IT-SOFCs). The performance of LSM-ESB cathodes is investigated at temperatures below 750 C by AC impedance spectroscopy. The ion-impregnation of ESB significantly enhances the electrocatalytic activity of the LSM electrodes for the oxygen reduction reactions, and the ion-impregnated LSM-ESB composite cathodes show excellent performance. At 750 C, the value of the cathode polarization resistance (R{sub p}) is only 0.11 {omega} cm{sup 2} for an ion-impregnated LSM-ESB cathode, which also shows high stability during a period of 200 h. For the performance testing of single cells, the maximum power density is 0.74 W cm{sup -2} at 700 C for a cell with the LSM-ESB cathode. The results demonstrate the ion-impregnated LSM-ESB is one of the promising cathode materials for intermediate-temperature solid oxide fuel cells. (author)

Heat exchanger with intermediate evaporating and condensing fluid

International Nuclear Information System (INIS)

Fraas, A.P.

1978-01-01

A shell and tube-type heat exchanger, such as a liquid sodium-operated steam generator for use in nuclear reactors, comprises a shell containing a primary fluid tube bundle, a secondary fluid tube bundle at higher elevation, and an intermediate fluid vaporizing at the surface of the primary fluid tubes and condensing at the surface of the secondary fluid tubes

The Composition of Intermediate Products of the Thermal Decomposition of (NH4)2ZrF6 to ZrO2 from Vibrational-Spectroscopy Data

Science.gov (United States)

Voit, E. I.; Didenko, N. A.; Gaivoronskaya, K. A.

2018-03-01

Thermal decomposition of (NH4)2ZrF6 resulting in ZrO2 formation within the temperature range of 20°-750°C has been investigated by means of thermal and X-ray diffraction analysis and IR and Raman spectroscopy. It has been established that thermolysis proceeds in six stages. The vibrational-spectroscopy data for the intermediate products of thermal decomposition have been obtained, systematized, and summarized.

Photosynthetic water oxidation: binding and activation of substrate waters for O-O bond formation.

Science.gov (United States)

Vinyard, David J; Khan, Sahr; Brudvig, Gary W

2015-01-01

Photosynthetic water oxidation occurs at the oxygen-evolving complex (OEC) of Photosystem II (PSII). The OEC, which contains a Mn4CaO5 inorganic cluster ligated by oxides, waters and amino-acid residues, cycles through five redox intermediates known as S(i) states (i = 0-4). The electronic and structural properties of the transient S4 intermediate that forms the O-O bond are not well understood. In order to gain insight into how water is activated for O-O bond formation in the S4 intermediate, we have performed a detailed analysis of S-state dependent substrate water binding kinetics taking into consideration data from Mn coordination complexes. This analysis supports a model in which the substrate waters are both bound as terminal ligands and react via a water-nucleophile attack mechanism.

Reaction intermediates in the catalytic Gif-type oxidation from nuclear inelastic scattering

Energy Technology Data Exchange (ETDEWEB)

Rajagopalan, S., E-mail: rajagopalan78@hotmail.com [Indira Gandhi Centre for Atomic Research, Materials Science Group (India); Asthalter, T., E-mail: t.asthalter@web.de [Universität Stuttgart, Institute of Physical Chemistry (Germany); Rabe, V.; Laschat, S. [Universität Stuttgart, Institute of Organic Chemistry (Germany)

2016-12-15

Nuclear inelastic scattering (NIS) of synchrotron radiation, also known as nuclear resonant vibrational spectroscopy (NRVS), has been shown to provide valuable insights into metal-centered vibrations at Mössbauer-active nuclei. We present a study of the iron-centered vibrational density of states (VDOS) during the first step of the Gif-type oxidation of cyclohexene with a novel trinuclear Fe{sub 3}(μ{sub 3}-O) complex as catalyst precursor. The experiments were carried out on shock-frozen solutions for different combinations of reactants: Fe{sub 3}(μ{sub 3}-O) in pyridine solution, Fe{sub 3}(μ{sub 3}-O) plus Zn/acetic acid in pyridine without and with addition of either oxygen or cyclohexene, and Fe{sub 3}(μ{sub 3}-O)/Zn/acetic acid/pyridine/cyclohexene (reaction mixture) for reaction times of 1 min, 5 min, and 30 min. The projected VDOS of the Fe atoms was calculated on the basis of pseudopotential density functional calculations. Two possible reaction intermediates were identified as [Fe{sup (III)}(C{sub 5}H{sub 5}N){sub 2}(O{sub 2}CCH{sub 3}){sub 2}]{sup +} and Fe{sup (II)}(C{sub 5}H{sub 5}N){sub 4}(O{sub 2}CCH{sub 3}){sub 2}, yielding evidence that NIS (NRVS) allows to identify the presence of iron-centered intermediates also in complex reaction mixtures.

Design of intermediate die shape of multistage profile drawing for linear motion guide

International Nuclear Information System (INIS)

Lee, Sang Kon; Lee, Jae Eun; Kim, Sung Min; Kim, Byung Min

2010-01-01

The design of an intermediate die shape is very important in multistage profile drawing. In this study, two design methods for the intermediate die shape of a multistage profile drawing for producing a linear motion guide (LM) guide is proposed. One is the electric field analysis method using the equipotential lines generated by electric field analysis, and the other is the virtual die method using a virtual drawing die constructed from the initial material and the final product shape. In order to design the intermediate die shapes of a multistage profile drawing for producing LM guide, the proposed design methods are applied, and then FE analysis and profile drawing experiment are performed. As a result, based on the measurement of dimensional accuracy, it can be known that the intermediate die shape can be designed effectively

Nanostructured LnBaCo2O6− (Ln = Sm, Gd with layered structure for intermediate temperature solid oxide fuel cell cathodes

Directory of Open Access Journals (Sweden)

Augusto E. Mejía Gómez

2017-04-01

Full Text Available In this work, we present the combination of two characteristics that are beneficial for solid oxide fuel cell (SOFC cathodic performance in one material. We developed and evaluated for the first time nanostructured layered perovskites of formulae LnBaCo2O6-d with Ln = Sm and Gd (SBCO and GBCO, respectively as SOFC cathodes, finding promising electrochemical properties in the intermediate temperature range. We obtained those nanostructures by using porous templates to confine the chemical reagents in regions of 200-800 nm. The performance of nanostructured SBCO and GBCO cathodes was analyzed by electrochemical impedance spectroscopy technique under different operating conditions using Gd2O3-doped CeO2 as electrolyte. We found that SBCO cathodes displayed lower area-specific resistance than GBCO ones, because bulk diffusion of oxide ions is enhanced in the former. We also found that cathodes synthesized using smaller template pores exhibited better performance.

Photochemically Synthesized Polyimides

Science.gov (United States)

Meador, Michael A.; Tyson, Daniel S.

2008-01-01

An alternative to the conventional approach to synthesis of polyimides involves the use of single monomers that are amenable to photopolymerization. Heretofore, the synthesis of polyimides has involved multiple-monomer formulations and heating to temperatures that often exceed 250 C. The present alternative approach enables synthesis under relatively mild conditions that can include room temperature. The main disadvantages of the conventional approach are the following: Elevated production temperatures can lead to high production costs and can impart thermal stresses to the final products. If the proportions of the multiple monomeric ingredients in a given batch are not exactly correct, the molecular weight and other physical properties of the final material could be reduced from their optimum or desired values. To be useful in the alternative approach, a monomer must have a molecular structure tailored to exploit Diels-Alder trapping of a photochemically generated ortho-quinodimethane. (In a Diels-Alder reaction, a diene combines with a dienophile to form molecules that contain six-membered rings.) In particular, a suitable monomer (see figure) contains ortho-methylbenzophenone connected to a dienophile (in this case, a maleimide) through a generic spacer group. Irradiation with ultraviolet light gives rise to a photochemical intermediate the aforementioned ortho-quinodimethane from the ortho-methylbenzophenone. This group may react with the dienophile on another such monomer molecule to produce an oligomer that, in turn may react in a stepgrowth manner to produce a polyimide. This approach offers several advantages in addition to those mentioned above: The monomer can be stored for a long time because it remains unreactive until exposed to light. Because the monomer is the only active starting ingredient, there is no need for mixing, no concern for ensuring correct proportions of monomers, and the purity of the final product material is inherently high. The use

Alkane metathesis with the tantalum methylidene [(≡SiO)Ta(=CH2)Me2]/[(≡SiO)2Ta(=CH2)Me] generated from well-defined surface organometallic complex [(≡SiO)TaVMe4

KAUST Repository

Chen, Yin; Abou-Hamad, Edy; Hamieh, Ali Imad Ali; Hamzaoui, Bilel; Emsley, Lyndon; Basset, Jean-Marie

2015-01-01

By grafting TaMe5 on Aerosil700, a stable, well-defined, silica-supported tetramethyl tantalum(V) complex, [(≡SiO)TaMe4], is obtained on the silica surface. After thermal treatment at 150 °C, the complex is transformed into two surface tantalum methylidenes, [(≡SiO)2Ta(=CH2)Me] and [(≡SiO)Ta(=CH2)Me2], which are active in alkane metathesis and comparable to the previously reported [(≡SiO)2TaHx]. Here we present the first experimental study to isolate and identify a surface tantalum carbene as the intermediate in alkane metathesis. A systematic experimental study reveals a new reasonable pathway for this reaction.

Alkane metathesis with the tantalum methylidene [(≡SiO)Ta(=CH2)Me2]/[(≡SiO)2Ta(=CH2)Me] generated from well-defined surface organometallic complex [(≡SiO)TaVMe4

KAUST Repository

Chen, Yin

2015-01-21

By grafting TaMe5 on Aerosil700, a stable, well-defined, silica-supported tetramethyl tantalum(V) complex, [(≡SiO)TaMe4], is obtained on the silica surface. After thermal treatment at 150 °C, the complex is transformed into two surface tantalum methylidenes, [(≡SiO)2Ta(=CH2)Me] and [(≡SiO)Ta(=CH2)Me2], which are active in alkane metathesis and comparable to the previously reported [(≡SiO)2TaHx]. Here we present the first experimental study to isolate and identify a surface tantalum carbene as the intermediate in alkane metathesis. A systematic experimental study reveals a new reasonable pathway for this reaction.

Intermediate Temperature Fuel Cell Using CsH₂PO₄/ZrO₂-Based Composite Electrolytes

DEFF Research Database (Denmark)

Jensen, Annemette Hindhede; Li, Qingfeng; Christensen, Erik

2014-01-01

Proton conductors operating at intermediate temperatures are receiving significant attention due to their advantages over conventionally used materials in proton exchange membrane fuel cells. CsH2PO4 has proven to be proton conducting above 230°C, however within a narrow temperature range of the ...... to 280°C under low atmospheric humidification. Higher open circuit voltage and stability in the extended temperature range were achieved with composite electrolytes with a CsH2PO4 to ZrO2 molar ratio of 2....

An Inverse Electron Demand Azo-Diels-Alder Reaction of o-Quinone Methides and Imino Ethers: Synthesis of Benzocondensed 1,3-Oxazines.

Science.gov (United States)

Osipov, Dmitry V; Osyanin, Vitaly A; Khaysanova, Guzel' D; Masterova, Elvira R; Krasnikov, Pavel E; Klimochkin, Yuri N

2018-04-20

We have studied the reactions of o-quinone methide precursors with imino ethers. The reaction provides a versatile route to substituted 1,3-benzoxazines. The proposed reaction mechanism involves the generation of the o-quinone methide intermediates, imino-Diels-Alder reaction, and elimination. This cascade process is a rare example of the participation of imino ethers as dienophiles.

Intermediate neutron spectrum problems and the intermediate neutron spectrum experiment

International Nuclear Information System (INIS)

Jaegers, P.J.; Sanchez, R.G.

1996-01-01

Criticality benchmark data for intermediate energy spectrum systems does not exist. These systems are dominated by scattering and fission events induced by neutrons with energies between 1 eV and 1 MeV. Nuclear data uncertainties have been reported for such systems which can not be resolved without benchmark critical experiments. Intermediate energy spectrum systems have been proposed for the geological disposition of surplus fissile materials. Without the proper benchmarking of the nuclear data in the intermediate energy spectrum, adequate criticality safety margins can not be guaranteed. The Zeus critical experiment now under construction will provide this necessary benchmark data

Intermediate-to-low temperature protonic ceramic membrane fuel cells with Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}}-BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} composite cathode

Energy Technology Data Exchange (ETDEWEB)

Lin, Bin; Ding, Hanping; Dong, Yingchao; Wang, Songlin; Zhang, Xiaozhen; Fang, Daru; Meng, Guangyao [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei, Anhui 230026 (China)

2009-01-01

The perovskite-type Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3-{delta}}-BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BSCF-BZCY) composite oxides were synthesized by a modified Pechini method and examined as a novel composite cathode for intermediate-to-low temperature protonic ceramic membrane fuel cells (ILT-PCMFCs). Thin proton-conducting BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY) electrolyte and NiO-BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (NiO-BZCY) anode functional layer were prepared over porous anode substrates composed of NiO-BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} by a one-step dry-pressing/co-firing process. A laboratory-sized quad-layer cell of NiO-BZCY/NiO-BZCY({proportional_to}50 {mu}m)/BZCY({proportional_to}20 {mu}m)/BSCF-BZCY({proportional_to}50 {mu}m) was operated from 550 to 700 C with humidified hydrogen ({proportional_to}3% H{sub 2}O) as fuel and the static air as oxidant. A high open-circuit potential of 1.009 V, a maximum power density of 418 mW cm{sup -2}, and a low polarization resistance of the electrodes of 0.10 {omega} cm{sup 2} was achieved at 700 C. These investigations have indicated that proton-conducting BZCY electrolyte with BSCF perovskite cathode is a promising material system for the next generation solid oxide fuel cells (SOFCs). (author)

An Intermediate in the evolution of superfast sonic muscles

Directory of Open Access Journals (Sweden)

Mok Hin-Kiu

2011-11-01

Full Text Available Abstract Background Intermediate forms in the evolution of new adaptations such as transitions from water to land and the evolution of flight are often poorly understood. Similarly, the evolution of superfast sonic muscles in fishes, often considered the fastest muscles in vertebrates, has been a mystery because slow bladder movement does not generate sound. Slow muscles that stretch the swimbladder and then produce sound during recoil have recently been discovered in ophidiiform fishes. Here we describe the disturbance call (produced when fish are held and sonic mechanism in an unrelated perciform pearl perch (Glaucosomatidae that represents an intermediate condition in the evolution of super-fast sonic muscles. Results The pearl perch disturbance call is a two-part sound produced by a fast sonic muscle that rapidly stretches the bladder and an antagonistic tendon-smooth muscle combination (part 1 causing the tendon and bladder to snap back (part 2 generating a higher-frequency and greater-amplitude pulse. The smooth muscle is confirmed by electron microscopy and protein analysis. To our knowledge smooth muscle attachment to a tendon is unknown in animals. Conclusion The pearl perch, an advanced perciform teleost unrelated to ophidiiform fishes, uses a slow type mechanism to produce the major portion of the sound pulse during recoil, but the swimbladder is stretched by a fast muscle. Similarities between the two unrelated lineages, suggest independent and convergent evolution of sonic muscles and indicate intermediate forms in the evolution of superfast muscles.

Quantifying Fenton reaction pathways driven by self-generated H2O2 on pyrite surfaces

Science.gov (United States)

Gil-Lozano, C.; Davila, A. F.; Losa-Adams, E.; Fairén, A. G.; Gago-Duport, L.

2017-03-01

Oxidation of pyrite (FeS2) plays a significant role in the redox cycling of iron and sulfur on Earth and is the primary cause of acid mine drainage (AMD). It has been established that this process involves multi-step electron-transfer reactions between surface defects and adsorbed O2 and H2O, releasing sulfoxy species (e.g., S2O32-, SO42-) and ferrous iron (Fe2+) to the solution and also producing intermediate by-products, such as hydrogen peroxide (H2O2) and other reactive oxygen species (ROS), however, our understanding of the kinetics of these transient species is still limited. We investigated the kinetics of H2O2 formation in aqueous suspensions of FeS2 microparticles by monitoring, in real time, the H2O2 and dissolved O2 concentration under oxic and anoxic conditions using amperometric microsensors. Additional spectroscopic and structural analyses were done to track the dependencies between the process of FeS2 dissolution and the degradation of H2O2 through the Fenton reaction. Based on our experimental results, we built a kinetic model which explains the observed trend of H2O2, showing that FeS2 dissolution can act as a natural Fenton reagent, influencing the oxidation of third-party species during the long term evolution of geochemical systems, even in oxygen-limited environments.

Secondary organic aerosol formation from semi- and intermediate-volatility organic compounds and glyoxal: Relevance of O/C as a tracer for aqueous multiphase chemistry

Science.gov (United States)

Waxman, Eleanor M.; Dzepina, Katja; Ervens, Barbara; Lee-Taylor, Julia; Aumont, Bernard; Jimenez, Jose L.; Madronich, Sasha; Volkamer, Rainer

2013-03-01

The role of aqueous multiphase chemistry in the formation of secondary organic aerosol (SOA) remains difficult to quantify. We investigate it here by testing the rapid formation of moderate oxygen-to-carbon (O/C) SOA during a case study in Mexico City. A novel laboratory-based glyoxal-SOA mechanism is applied to the field data, and explains why less gas-phase glyoxal mass is observed than predicted. Furthermore, we compare an explicit gas-phase chemical mechanism for SOA formation from semi- and intermediate-volatility organic compounds (S/IVOCs) with empirical parameterizations of S/IVOC aging. The mechanism representing our current understanding of chemical kinetics of S/IVOC oxidation combined with traditional SOA sources and mixing of background SOA underestimates the observed O/C by a factor of two at noon. Inclusion of glyoxal-SOA with O/C of 1.5 brings O/C predictions within measurement uncertainty, suggesting that field observations can be reconciled on reasonable time scales using laboratory-based empirical relationships for aqueous chemistry.

Composite cathode La0.15Bi0.85O1.5-Ag for intermediate-temperature solid oxide fuel cells

International Nuclear Information System (INIS)

Gao Zhan; Mao Zongqiang; Huang Jianbing; Gao Ruifeng; Wang Cheng; Liu Zhixiang

2008-01-01

Composites consisting of silver and lanthanum stabilized bismuth oxide (La 0.15 Bi 0.85 O 1.5 ) were investigated as cathodes for intermediate-temperature solid oxide fuel cells with doped ceria as electrolyte. No stable phases were formed via reaction between La 0.15 Bi 0.85 O 1.5 and Ag. The microstructure of the interfaces between composite cathodes and Ce 0.8 Sm 0.2 O 1.5 electrolytes was studied by scanning electron microscopy after sintering at various temperatures. Impedance spectroscopy measurements revealed that the performance of cathode fired at 700 deg. C was the best. When the optimum fraction of Ag was 50 vol.%, polarization resistance values for the LSB-Ag50 cathode were as low as 0.14 Ω cm 2 at 700 deg. C and 0.18 Ω cm 2 at 650 deg. C. The steady-state polarization investigations on LSB and LSB-Ag50 cathodes were performed using typical three-electrode test cells in air. The results showed that the LSB-Ag50 composite cathode exhibited a lower overpotential and higher exchange current density than LSB, which indicated the electrochemical performance of LSB-Ag50 for the oxygen reduction reaction was superior to the LSB

Checkpoint kinase 1-induced phosphorylation of O-linked β-N-acetylglucosamine transferase regulates the intermediate filament network during cytokinesis.

Science.gov (United States)

Li, Zhe; Li, Xueyan; Nai, Shanshan; Geng, Qizhi; Liao, Ji; Xu, Xingzhi; Li, Jing

2017-12-01

Checkpoint kinase 1 (Chk1) is a kinase instrumental for orchestrating DNA replication, DNA damage checkpoints, the spindle assembly checkpoint, and cytokinesis. Despite Chk1's pivotal role in multiple cellular processes, many of its substrates remain elusive. Here, we identified O- linked β- N -acetylglucosamine ( O -GlcNAc)-transferase (OGT) as one of Chk1's substrates. We found that Chk1 interacts with and phosphorylates OGT at Ser-20, which not only stabilizes OGT, but also is required for cytokinesis. Phospho-specific antibodies of OGT-pSer-20 exhibited specific signals at the midbody of the cell, consistent with midbody localization of OGT as reported previously. Moreover, phospho-deficient OGT (S20A) cells attenuated cellular O -GlcNAcylation levels and also reduced phosphorylation of Ser-71 in the cytoskeletal protein vimentin, a modification critical for severing vimentin filament during cytokinesis. Consequently, elongated vimentin bridges were observed in cells depleted of OGT via an si OGT- based approach. Lastly, expression of plasmids resistant to si OGT efficiently rescued the vimentin bridge phenotype, but the OGT-S20A rescue plasmids did not. Our results suggest a Chk1-OGT-vimentin pathway that regulates the intermediate filament network during cytokinesis. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

The influence of charge injection from intermediate connectors on the performance of tandem organic light-emitting devices

Energy Technology Data Exchange (ETDEWEB)

Zhou, Dong-Ying [Institute of Functional Nano and Soft Materials (FUNSOM), Soochow University, Suzhou, Jiangsu 215123 (China); Department of Electrical and Computer Engineering and Waterloo Institute for Nanotechnology, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada); Siboni, Hossein Zamani; Wang, Qi; Aziz, Hany, E-mail: lsliao@suda.edu.cn, E-mail: h2aziz@uwaterloo.ca [Department of Electrical and Computer Engineering and Waterloo Institute for Nanotechnology, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada); Liao, Liang-Sheng, E-mail: lsliao@suda.edu.cn, E-mail: h2aziz@uwaterloo.ca [Institute of Functional Nano and Soft Materials (FUNSOM), Soochow University, Suzhou, Jiangsu 215123 (China)

2014-12-14

Charge generation in a typical intermediate connector, composed of “n-type doped layer/transition metal oxide (TMO)/hole transporting layer (HTL),” of a tandem organic light-emitting device (OLED) has recently been found to arise from charge transfer at the TMO/HTL interfaces. In this paper, we investigate the effect of hole injection barriers from intermediate connectors on the performance of tandem OLEDs. The hole injection barriers are caused by the offset of the highest occupied molecular orbital (HOMO) energy levels between HTLs contained in the intermediate connector and the top electroluminescence (EL) unit. We also find that although charge generation can occur at the interfaces between the TMO and a wide variety of HTLs of different HOMO values, an increase in the hole injection barrier however limits the electroluminescence efficiency of the top EL units. In the case of large hole injection barriers, significant charge accumulation in the HTLs makes the intermediate connector lose its functionality gradually over operating time, and limits device stability.

Integrated O&M for energy generation and exchange facilities

International Nuclear Information System (INIS)

2016-01-01

Ingeteam Service, part of the Ingeteam Group, is a leading company in the provision of integrated O&M services at energy generation and exchange facilities worldwide. From its head office in the Albacete Science and Technology Park, it manages the work of the 1,300 employees that make up its global workforce, rendering services to wind farms, PV installations and power generation plants. In addition, it maintains an active participation strategy in a range of R&D+i programmes that improve the existing technologies and are geared towards new production systems and new diagnostic techniques, applied to renewables installation maintenance. (Author)

Oxygen Reduction Reaction for Generating H2 O2 through a Piezo-Catalytic Process over Bismuth Oxychloride.

Science.gov (United States)

Shao, Dengkui; Zhang, Ling; Sun, Songmei; Wang, Wenzhong

2018-02-09

Oxygen reduction reaction (ORR) for generating H 2 O 2 through green pathways have gained much attention in recent years. Herein, we introduce a piezo-catalytic approach to obtain H 2 O 2 over bismuth oxychloride (BiOCl) through an ORR pathway. The piezoelectric response of BiOCl was directly characterized by piezoresponse force microscopy (PFM). The BiOCl exhibits efficient catalytic performance for generating H 2 O 2 (28 μmol h -1 ) only from O 2 and H 2 O, which is above the average level of H 2 O 2 produced by solar-to-chemical processes. A piezo-catalytic mechanism was proposed: with ultrasonic waves, an alternating electric field will be generated over BiOCl, which can drive charge carriers (electrons) to interact with O 2 and H 2 O, then to form H 2 O 2 . © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diclofenac degradation in water by FeCeOx catalyzed H2O2: Influencing factors, mechanism and pathways.

Science.gov (United States)

Chong, Shan; Zhang, Guangming; Zhang, Nan; Liu, Yucan; Huang, Ting; Chang, Huazhen

2017-07-15

The degradation of diclofenac in a like Fenton system, FeCeO x -H 2 O 2 , was studied in details. The influencing factors, reaction kinetics, reaction mechanism and degradation pathways of diclofenac were investigated. The optimum conditions were at a solution pH of 5.0, H 2 O 2 concentration of 3.0mmol/L, diclofenac initial concentration of 0.07mmol/L, FeCeO x dosage of 0.5g/L, and 84% degradation of diclofenac was achieved within 40min. The kinetics of FeCeO x catalyzed H 2 O 2 process involved adsorption-dominating and degradation-dominating stages and fitted pseudo-second order model and pseudo-first order model, respectively. Singlet oxygen 1 O 2 was the primary intermediate oxidative species in the degradation process; superoxide radical anion O 2 - also participated in the reaction. The surface cerium and iron sites and the oxygen vacancies in the FeCeO x catalyst were proposed to play an important role in H 2 O 2 decomposition and active species generation. The detected intermediates were identified as hydroxylated derivatives (m/z of 310, 326 and 298), quinone imine compounds (m/z of 308, 278 and 264) and hydroxyl phenylamine (m/z of 178). The majority intermediates were hydroxylated derivatives and the minority was hydroxyl phenylamine. The degradation pathways were proposed to involve hydroxylation, decarboxylation, dehydrogenation and CN bond cleavage. Copyright © 2017 Elsevier B.V. All rights reserved.

Facilitation of intermediate-depth earthquakes by eclogitization-related stresses and H2O

Science.gov (United States)

Nakajima, J.; Uchida, N.; Hasegawa, A.; Shiina, T.; Hacker, B. R.; Kirby, S. H.

2012-12-01

Generation of intermediate-depth earthquakes is an ongoing enigma because high lithostatic pressures render ordinary dry frictional failure unlikely. A popular hypothesis to solve this conundrum is fluid-related embrittlement (e.g., Kirby et al., 1996; Preston et al., 2003), which is known to work even for dehydration reactions with negative volume change (Jung et al., 2004). One consequence of reaction with the negative volume change is the formation of a paired stress field as a result of strain compatibility across the reaction front (Hacker, 1996; Kirby et al., 1996). Here we analyze waveforms of a tiny seismic cluster in the lower crust of the downgoing Pacific plate at a depth of 155 km and propose new evidence in favor of this mechanism: tensional earthquakes lying 1 km above compressional earthquakes, and earthquakes with highly similar waveforms lying on well-defined planes with complementary rupture areas. The tensional stress is interpreted to be caused by the dimensional mismatch between crust transformed to eclogite and underlying untransformed crust, and the earthquakes are interpreted to be facilitated by fluid produced by eclogitization. These observations provide seismic evidence for the dual roles of volume-change related stresses and fluid-related embrittlement as viable processes for nucleating earthquakes in downgoing oceanic lithosphere.

Seleção para duração do ciclo vegetativo em batata e relação com a produtividade de tubérculos Selection for vegetative growth period and its relationship to tuber yield of potato

Directory of Open Access Journals (Sweden)

Gabriel B Rodrigues

2009-09-01

Full Text Available As cultivares de batata no Brasil geralmente apresentam ciclo vegetativo de 90 a 110 dias, sendo bem mais longo em países de clima temperado, podendo chegar até 150 dias. O ciclo vegetativo longo nestes países proporciona maior produtividade e constitui-se em alternativa para aumento da produção de tubérculos sob condições tropicais. Os objetivos deste trabalho foram avaliar o potencial da seleção para aumentar ou diminuir o ciclo vegetativo da batata e verificar a relação entre a duração do ciclo vegetativo e a produção de tubérculos em condições tropicais. Na primeira geração clonal foram avaliados a produção de tubérculos e o ciclo vegetativo de 1.561 genótipos oriundos de 22 famílias clonais. Na segunda geração clonal foram avaliadas as mesmas características em 320 genótipos selecionados para ciclo vegetativo precoce, intermediário e tardio. A seleção nas gerações iniciais foi eficiente, tanto para diminuir permitiu obter maior ganho do que a seleção entre famílias. Os genótipos mais tardios foram mais produtivos que os mais precoces.Potato cultivars in Brazil generally present a growth cycle duration ranging from 90 to 110 days, whereas in countries located in temperate climate it can reach up to 150 days. Longer vegetative growth cycle in these countries confer higher tuber yield and, in tropical countries it also could be an alternative to increase tuber yield. In this work we evaluated the selection potential for longer or shorter growth cycle duration of potato clones and we determined the relationship between growth cycle duration and tuber yield. In the first clonal generation tuber yield and growth cycle duration were evaluated on 1561 genotypes derived from 22 clonal families. In the second clonal generation, the same traits were evaluated on 320 genotypes selected for earliness, intermediate and late vegetative cycle. Selection in the initial generations was efficient both to decrease and to

Disposal Options for Low and Intermediate-Level Radioactive Waste: Comparative Study

International Nuclear Information System (INIS)

Abdellatif, M.M.

2013-01-01

This study presents the status of current disposal options for Low and Intermediate- Level Radioactive Waste (LILRW) generated in different countries and outlines the potential for future disposal option/s of these wastes in Egypt. Since approaches used in other countries may provide useful lessons for managing Egyptian radioactive wastes. This study was based on data for19 countries repositories and we focused on 6 countries, which considered as leaders in the field of disposal of rad waste. Several countries have plans for repositories which are sufficiently advanced that it was based on their own of their extensive experience with nuclear power generation and with constructing and operating LLRW disposal facilities. On the other hand, our programme for site selection and host rock characterization for low and intermediate level radioactive waste disposal is under study. We are preparing our criteria for selecting a national repository for LIL rad waste.

The functional significance of C3-C4 intermediate traits in Heliotropium L. (Boraginaceae): gas exchange perspectives.

Science.gov (United States)

Vogan, Patrick J; Frohlich, Michael W; Sage, Rowan F

2007-10-01

We demonstrate for the first time the presence of species exhibiting C3-C4 intermediacy in Heliotropium (sensu lato), a genus with over 100 C3 and 150 C4 species. CO2 compensation points (Gamma) and photosynthetic water-use efficiencies (WUEs) were intermediate between C3 and C4 values in three species of Heliotropium: Heliotropium convolvulaceum (Gamma = 20 micromol CO2 mol(-1) air), Heliotropium racemosum (Gamma = 22 micromol mol(-1)) and Heliotropium greggii (Gamma = 17 micromol mol(-1)). Heliotropium procumbens may also be a weak C3-C4 intermediate based on a slight reduction in Gamma (48.5 micromol CO2 mol(-1)) compared to C3Heliotropium species (52-60 micromol mol(-1)). The intermediate species H. convolvulaceum, H. greggii and H. racemosum exhibited over 50% enhancement of net CO2 assimilation rates at low CO2 levels (200-300 micromol mol(-1)); however, no significant differences in stomatal conductance were observed between the C3 and C3-C4 species. We also assessed the response of Gamma to variation in O2 concentration for these species. Heliotropium convolvulaceum, H. greggii and H. racemosum exhibited similar responses of Gamma to O2 with response slopes that were intermediate between the responses of C3 and C4 species below 210 mmol O2 mol(-1) air. The presence of multiple species displaying C3-C4 intermediate traits indicates that Heliotropium could be a valuable new model for studying the evolutionary transition from C3 to C4 photosynthesis.

Functionalizing carbon nitride with heavy atom-free spin converters for enhanced 1 O 2 generation

Energy Technology Data Exchange (ETDEWEB)

Wu, Wenting; Han, Congcong; Zhang, Qinhua; Zhang, Qinggang; Li, Zhongtao; Gosztola, David J.; Wiederrecht, Gary P.; Wu, Mingbo

2018-05-01

advanced photosensitizers for singlet oxygen (1O2) generation. However, the intersystem crossing (ISC) process is quite insufficient in carbon nitride, limiting the 1O2 generation. Here, we report a facile and general strategy to confined benzophenone as a heavy atom-free spin converter dopant in carbon nitride via the facile copolymerization. With proper energy level matching between the heavy atom-free spin converter and various ligands based on carbon nitride precursors, the proper combination can decrease the singlet-triplet energy gap (DEST) and hence generate 1O2 effectively. Due to its significant and selectivity for 1O2 generation, the as-prepared carbon nitride-based photosensitizer shows a high selective photooxidation activity for 1,5-dihydroxy-naphthalene (1,5-DHN). The product yield reached 71.8% after irradiation for 60 min, which was higher than that of cyclometalated PtII complexes (53.6%) in homogeneous photooxidation. This study can broaden the application of carbon nitride in the field of selective heterogeneous photooxidation due to simple operation, low cost, and high efficiency, making it a strong candidate for future industrialization.

Intermediate species measurement during iso-butanol auto-ignition

KAUST Repository

Ji, Weiqi

2015-10-01

© 2015 The Combustion Institute.Published by Elsevier Inc. All rights reserved. This work presents the time histories of intermediate species during the auto-ignition of iso-butanol at high pressure and intermediate temperature conditions obtained using a rapid compression machine and recently developed fast sampling system. Iso-butanol ignition delays were acquired for iso-butanol/O2 mixture with an inert/O2 ratio of 7.26, equivalence ratio of 0.4, in the temperature range of 840-950 K and at pressure of 25 bar. Fast sampling and gas chromatography were used to acquire and quantify the intermediate species during the ignition delay of the same mixture at P = 25.3 bar and T = 905 K. The ignition delay times and quantitative measurements of the mole fraction time histories of methane, ethene, propene, iso-butene, iso-butyraldehyde, iso-butanol, and carbon monoxide were compared with predictions from the detailed mechanisms developed by Sarathy et al., Merchant et al., and Cai et al. It is shown that while the Sarathy mechanism well predicts the overall ignition delay time, it overpredicts ethene by a factor of 6-10, underpredicts iso-butene by a factor of 2, and overpredicts iso-butyraldehyde by a factor of 2. Reaction path and sensitivity analyses were carried out to identify the reactions responsible for the observed inadequacy. The rates of iso-butanol hydrogen atom abstraction by OH radical and the beta-scission reactions of hydroxybutyl radicals were updated based on recently published quantum calculation results. Significant improvements were achieved in predicting ignition delay at high pressures (25 and 30 bar) and the species concentrations of ethene and iso-butene. However, the updated mechanism still overpredicts iso-butyraldehyde concentrations. Also, the updated mechanism degrades the prediction in ignition delay at lower pressure (15 bar) compared to the original mechanism developed by Sarathy et al.

Intermediate species measurement during iso-butanol auto-ignition

KAUST Repository

Ji, Weiqi; Zhang, Peng; He, Tanjin; Wang, Zhi; Tao, Ling; He, Xin; Law, Chung K.

2015-01-01

© 2015 The Combustion Institute.Published by Elsevier Inc. All rights reserved. This work presents the time histories of intermediate species during the auto-ignition of iso-butanol at high pressure and intermediate temperature conditions obtained using a rapid compression machine and recently developed fast sampling system. Iso-butanol ignition delays were acquired for iso-butanol/O2 mixture with an inert/O2 ratio of 7.26, equivalence ratio of 0.4, in the temperature range of 840-950 K and at pressure of 25 bar. Fast sampling and gas chromatography were used to acquire and quantify the intermediate species during the ignition delay of the same mixture at P = 25.3 bar and T = 905 K. The ignition delay times and quantitative measurements of the mole fraction time histories of methane, ethene, propene, iso-butene, iso-butyraldehyde, iso-butanol, and carbon monoxide were compared with predictions from the detailed mechanisms developed by Sarathy et al., Merchant et al., and Cai et al. It is shown that while the Sarathy mechanism well predicts the overall ignition delay time, it overpredicts ethene by a factor of 6-10, underpredicts iso-butene by a factor of 2, and overpredicts iso-butyraldehyde by a factor of 2. Reaction path and sensitivity analyses were carried out to identify the reactions responsible for the observed inadequacy. The rates of iso-butanol hydrogen atom abstraction by OH radical and the beta-scission reactions of hydroxybutyl radicals were updated based on recently published quantum calculation results. Significant improvements were achieved in predicting ignition delay at high pressures (25 and 30 bar) and the species concentrations of ethene and iso-butene. However, the updated mechanism still overpredicts iso-butyraldehyde concentrations. Also, the updated mechanism degrades the prediction in ignition delay at lower pressure (15 bar) compared to the original mechanism developed by Sarathy et al.

Nitric oxide is an obligate bacterial nitrification intermediate produced by hydroxylamine oxidoreductase.

Science.gov (United States)

Caranto, Jonathan D; Lancaster, Kyle M

2017-08-01

Ammonia (NH 3 )-oxidizing bacteria (AOB) emit substantial amounts of nitric oxide (NO) and nitrous oxide (N 2 O), both of which contribute to the harmful environmental side effects of large-scale agriculture. The currently accepted model for AOB metabolism involves NH 3 oxidation to nitrite (NO 2 - ) via a single obligate intermediate, hydroxylamine (NH 2 OH). Within this model, the multiheme enzyme hydroxylamine oxidoreductase (HAO) catalyzes the four-electron oxidation of NH 2 OH to NO 2 - We provide evidence that HAO oxidizes NH 2 OH by only three electrons to NO under both anaerobic and aerobic conditions. NO 2 - observed in HAO activity assays is a nonenzymatic product resulting from the oxidation of NO by O 2 under aerobic conditions. Our present study implies that aerobic NH 3 oxidation by AOB occurs via two obligate intermediates, NH 2 OH and NO, necessitating a mediator of the third enzymatic step.

Efficient removal of methyl orange using Cu2O as a dual function catalyst

Science.gov (United States)

Zhang, Fan; Dong, Guohui; Wang, Mian; Zeng, Yubin; Wang, Chuanyi

2018-06-01

In this study, we synthesized Cu2O particles with rough surfaces by a facile solvothermal method as a dual-function material that can degrade contaminants not only under light irradiation but also in dark circumstance. Both the as-prepared Cu2O and commercial Cu2O exhibited excellent performance for the removal of methyl orange under visible light irradiation through a photocatalysis-based strategy. However, the former was found to show remarkable capability under dark circumstances by means of molecular oxygen activation, while the latter performed poor efficiently under the same condition. This significant difference of performances under dark circumstances was related to rich oxygen vacancies existed on the as-prepared Cu2O surfaces that are associated with the single-electron reduction of O2 to generate radO2-, which play a dominant role in the generation of Cu+. In addition, Cu+ was identified to play key roles in the broken of azo bond. Then, the generated intermediates were mineralized by radOH generated through molecular oxygen activation process. This study could not only deep the understanding of the MO removal mechanism by Cu2O but also show a novel direction of amphibious application for photocatalytic materials.

Isolation and Characterization of Well-Defined Silica-Supported Azametallacyclopentane: A Key Intermediate in Catalytic Hydroaminoalkylation Reactions

KAUST Repository

Hamzaoui, Bilel

2015-09-25

Intermolecular catalytic hydroaminoalkylation of unactivated alkene occurs with silica-supported azazirconacyclopropane [[TRIPLE BOND]Si[BOND]O[BOND]Zr(HNMe2)(η2-NMeCH2)(NMe2)]. Mechanistic studies were conducted using surface organometallic chemistry (SOMC) concepts to identify the key surface intermediates. The azametallacyclopentene intermediate {[TRIPLE BOND]Si[BOND]O[BOND]Zr(HNMe2)[η2-NMeCH2CH(Me)CH2](NMe2)} was isolated after treating with 1-propylene and characterized by FT-IR spectroscopy, elemental analysis, 1H 13C HETCOR, DARR SS-NMR and DQ TQ SS-NMR. The regeneration of the catalyst was conducted by dimethylamine protonolysis to yield the pure amine.

Isolation and Characterization of Well-Defined Silica-Supported Azametallacyclopentane: A Key Intermediate in Catalytic Hydroaminoalkylation Reactions

KAUST Repository

Hamzaoui, Bilel; Pelletier, Jé ré mie D. A.; El Eter, Mohamad; Chen, Yin; Abou-Hamad, Edy; Basset, Jean-Marie

2015-01-01

Intermolecular catalytic hydroaminoalkylation of unactivated alkene occurs with silica-supported azazirconacyclopropane [[TRIPLE BOND]Si[BOND]O[BOND]Zr(HNMe2)(η2-NMeCH2)(NMe2)]. Mechanistic studies were conducted using surface organometallic chemistry (SOMC) concepts to identify the key surface intermediates. The azametallacyclopentene intermediate {[TRIPLE BOND]Si[BOND]O[BOND]Zr(HNMe2)[η2-NMeCH2CH(Me)CH2](NMe2)} was isolated after treating with 1-propylene and characterized by FT-IR spectroscopy, elemental analysis, 1H 13C HETCOR, DARR SS-NMR and DQ TQ SS-NMR. The regeneration of the catalyst was conducted by dimethylamine protonolysis to yield the pure amine.

Microstructure evolution characteristics induced by oxygen vacancy generation in anatase TiO2 based resistive switching devices

Science.gov (United States)

Liu, Chen; Gao, Bin; Huang, Peng; Kang, Jinfeng

2017-03-01

In this work, first principle calculations are employed to study the microstructure characteristics of the anatase TiO2 resistive switching material associated with the generation of oxygen vacancy (V o) based nanofilaments during the switching process. The calculations indicate that both the magnéli phase Ti4O7 and V o-defect phase of anatase TiO2 may be formed with the generation of oxygen vacancies during the forming and SET processes. Based on the calculations, a new physical insight is proposed to clarify the microstructure evolution characteristics of the anatase TiO2 resistive switching material and the correlation with resistive switching behaviors. During the forming or SET process, the anatase TiO2 is first excited to a transition state with the generation of oxygen vacancies, then fully relaxes to a stable V o-defect state. This V o-defect state may either recover to the original state with the recombination of the oxygen vacancies, which causes the reversible resistive switching behavior, or further transform to a much more stable state—the magnéli phase Ti4O7, through a phase transition process with the generation of many more oxygen vacancies. The phase transition from V o- defective anatase phase to magnéli phase Ti4O7 causes the failure of the resistive switching due to the significantly reduced possibility of the reversible phase transition from the magnéli phase to the anatase phase, compared with the possibility of the recombination from the V o-defective anatase.

Cytotoxicity of Ultra-pure TiO{sub 2} and ZnO Nanoparticles Generated by Laser Ablation

Energy Technology Data Exchange (ETDEWEB)

Jeong, Minju; Park, Jeong Min; Lee, Eun Jeong; Cho, Yea Seul; Lee, Chunghyun; Kim, Jeong Moo; Hah, Sang Soo [Kyung Hee Univ., Yongin (Korea, Republic of)

2013-11-15

This paper aims to address the cellular toxicity of ultra-pure titanium dioxide (TiO{sub 2}) and zinc oxide (ZnO) nanoparticles (NPs) frequently employed in sunscreens as inorganic physical sun blockers to provide protection against adverse effects of ultraviolet (UV) radiation including UVB (290-320 nm) and UVA (320-400 nm). In consideration that the production and the use of inorganic NPs have aroused many concerns and controversies regarding their safety and toxicity and that microsized TiO{sub 2} and ZnO have been increasingly replaced by TiO{sub 2} and ZnO NPs (< 100 nm), it is very important to directly investigate a main problem related to the intrinsic/inherent toxicity of these NPs and/or their incompatibility with biological objects. In the present study, we took advantage of the laser-assisted method called laser ablation for generation of TiO{sub 2} and ZnO NPs. NPs were prepared through a physical process of irradiating solid targets in liquid phase, enabling verification of the toxicity of ultra-pure NPs with nascent surfaces free from any contamination. Our results show that TiO{sub 2} NPs are essentially non-poisonous and ZnO NPs are more toxic than TiO{sub 2} NPs based on the cell viability assays.

Effects of post-disposal gas generation in a repository for spent fuel, high-level waste and long-lived intermediate level waste sited in opalinus clay

International Nuclear Information System (INIS)

Johnson, L.; Marschall, P.; Zuidema, P.; Gribi, P.

2004-07-01

This comprehensive report issued by the Swiss National Cooperative for the Disposal of Radioactive Waste NAGRA takes a look at post-disposal gas generation in a repository for spent fuel and highly radioactive wastes in Opalinus clay strata. This study provides a comprehensive treatment of the issue of gas generation in a repository for spent fuel (SF), vitrified high-level waste (HLW) and long-lived intermediate-level waste (ILW), sited in the Opalinus clay of the Zuercher Weinland in northern Switzerland. The issue of how gas generation in and transport from waste repositories may influence disposal system performance has been under study for many years, both at Nagra and internationally. The report consists of three main parts: (i) A synthesis of basic information on the host rock and on details of repository construction; (ii) A discussion on gas transport characteristics of the engineered barrier system and the geosphere; (iii) A discussion on the effects of gas on system performance, based on the available information on gas generation, gas transport properties and gas pathways provided in the previous parts of the report. Simplified model calculations based on a mass balance approach for the gas generated within the repository are presented and discussed

Achieving high performance in intermediate temperature direct carbon fuel cells with renewable carbon as a fuel source

International Nuclear Information System (INIS)

Hao, Wenbin; He, Xiaojin; Mi, Yongli

2014-01-01

Highlights: • Bamboo fiber and waste paper were pyrolyzed to generate bamboo carbon and waste paper carbon as anode fuels of IT-DCFC. • Superior cell performance was achieved with the waste paper carbon. • The results suggested the high performance was due to the highest thermal reactivity and the catalytic inherent impurities. • Calcite and kaolinite as inherent impurities favored the thermal decomposition and the electrooxidation of carbon. - Abstract: Three kinds of carbon sources obtained from carbon black, bamboo fiber and waste paper were investigated as anode fuels in an intermediate temperature direct carbon fuel cell. The carbon sources were characterized with X-ray photoelectron spectroscopy, thermal gravimetric analysis, etc. The results indicated that the waste paper carbon was more abundant in calcite and kaolinite, and showed higher thermal reactivity in the intermediate temperature range compared with the other two carbon sources. The cell performance was tested at 650 °C in a hybrid single cell, using Sm 0.20 Ce 0.80 O 2−x as the electrolyte. As a result, the cell fed with waste paper carbon showed the highest performance among the three carbon sources, with a peak power density of 225 mW cm −2 . The results indicated that its inherent impurities, such as calcite and kaolinite, might favor the thermal gasification of renewable carbon sources, which resulted in the enhanced performance of the intermediate temperature direct carbon fuel cell

Experimental Phase Equilibria Studies of the Pb-Fe-O System in Air, in Equilibrium with Metallic Lead and at Intermediate Oxygen Potentials

Science.gov (United States)

Shevchenko, M.; Jak, E.

2017-12-01

The phase equilibria information on the Pb-Fe-O system is of practical importance for the improvement of the existing thermodynamic database of lead-containing slag systems (Pb-Zn-Fe-Cu-Si-Ca-Al-Mg-O). Phase equilibria of the Pb-Fe-O system have been investigated: (a) in air at temperatures between 1053 K and 1373 K (780 °C and 1100 °C); (b) in equilibrium with metallic lead at temperatures between 1053 K and 1373 K (780 °C and 1100 °C); and (c) at intermediate oxidation conditions for the liquid slag in equilibrium with two solids (spinel + magnetoplumbite), at temperatures between 1093 K and 1373 K (820 °C and 1100 °C). The high-temperature equilibration/quenching/electron probe X-ray microanalysis technique has been used to accurately determine the compositions of the phases in equilibrium in the system. The Pb and Fe concentrations in the phases were determined directly; preliminary thermodynamic modeling with FactSage was used to estimate the ferrous-to-ferric ratios and to present the results in the ternary diagram.

Proton nucleus elastic scattering at 800 MeV: the role of intermediate isobars

International Nuclear Information System (INIS)

Auger, J.P.; Maillet, J.P.; Lazard, C.; Lombard, R.J.

1984-10-01

Proton nucleus elastic scattering at 800 MeV has been calculated in the Glauber model for 16 O, 40 Ca, 48 Ca and 208 Pb. Nuclear densities are taken from Hartree-Fock-BCS calculations. For the nucleon-nucleon amplitudes, use is made of two recent phase shift analysis. The effects of intermediate isobars are included by means of a simple model. The results show that the experimental data are qualitatively understood. The polarization turns out to be quite sensitive to the intermediate isobar effects, which consequently need to be calculated more carefully

Intermediality and media change

OpenAIRE

2012-01-01

This book is about intermediality as an approach to analysing and understanding media change. Intermediality and Media Change is critical of technological determinism that characterises 'new media discourse' about the ongoing digitalization, framed as a revolution and creating sharp contrasts between old and new media. Intermediality instead emphasises paying attention to continuities between media of all types and privileges a comparative perspective on technological changes in media over ti...

TiO2 nanocrystals decorated Z-schemed core-shell CdS-CdO nanorod arrays as high efficiency anodes for photoelectrochemical hydrogen generation.

Science.gov (United States)

Li, Chia-Hsun; Hsu, Chan-Wei; Lu, Shih-Yuan

2018-07-01

TiO 2 nanocrystals decorated core-shell CdS-CdO nanorod arrays, TiO 2 @CdO/CdS NR, were fabricated as high efficiency anodes for photoelctrochemical hydrogen generation. The novel sandwich heterostructure was constructed from first growth of CdS nanorod arrays on a fluorine doped tin oxide (FTO) substrate with a hydrothermal process, followed by in situ generation of CdO thin films of single digit nanometers from the CdS nanorod surfaces through thermal oxidation, and final decoration of TiO 2 nanocrystals of 10-20 nm via a successive ionic layer absorption and reaction process. The core-shell CdS-CdO heterostructure possesses a Z-scheme band structure to enhance interfacial charge transfer, facilitating effective charge separation to suppress electron-hole recombination within CdS for much improved current density generation. The final decoration of TiO 2 nanocrystals passivates surface defects and trap states of CdO, further suppressing surface charge recombination for even higher photovoltaic conversion efficiencies. The photoelectrochemical performances of the plain CdS nanorod array were significantly improved with the formation of the sandwich heterostructure, achieving a photo current density of 3.2 mA/cm 2 at 1.23 V (vs. RHE), a 141% improvement over the plain CdS nanorod array and a 32% improvement over the CdO/CdS nanorod array. Copyright © 2018 Elsevier Inc. All rights reserved.

A 16N/19O monitor for leak detection in a steam generator

International Nuclear Information System (INIS)

Ding Shengyao; Xu Kun; Huang Xiaojian; Wang Peiliang; Ye Jing

2006-01-01

A new facility for monitoring the steam generator leak has been developed. It can measure both leak rate and location. The facility provides a very effective tool to monitor the safe running for nuclear power station or nuclear submarine. The principle idea for the monitoring system is based on the time is different when radiation nuclei 16 N and 19 O travel the different distances from reactor center via hot, bend and cold point of U-tube in steam generator. Because of the decay times T 1/2 for 16 N and 19 O are different, the ratios of 16 N to 19 O activities are different too. By using the different ratio, we can obtain the leak location of U-tube. The radioactivities and their ratio of 16 N to 19 O in our swimming pool reactor were measurement by use the monitoring system, the measured results show its quality is reliable. (authors)

Intermediate Fragment

DEFF Research Database (Denmark)

Kruse Aagaard, Anders

2015-01-01

This text and its connected exhibition are aiming to reflect both on the thoughts, the processes and the outcome of the design and production of the artefact ‘Intermediate Fragment’ and making as a contemporary architectural tool in general. Intermediate Fragment was made for the exhibition ‘Enga...... of realising an exhibition object was conceived, but expanded, refined and concretised through this process. The context of the work shown here is an interest in a tighter, deeper connection between experimentally obtained material knowledge and architectural design....

Theoretical optoelectronic analysis of intermediate-band photovoltaic material based on ZnY1−xOx (Y = S, Se, Te) semiconductors by first-principles calculations

International Nuclear Information System (INIS)

Wu Kong-Ping; Zhou Meng-Ran; Huang You-Rui; Gu Shu-Lin; Ye Jian-Dong; Zhu Shun-Ming; Zhang Rong; Zheng You-Dou; Tang Kun

2013-01-01

The structural, energetic, and electronic properties of lattice highly mismatched ZnY 1−x O x (Y = S, Se, Te) ternary alloys with dilute O concentrations are calculated from first principles within the density functional theory. We demonstrate the formation of an isolated intermediate electronic band structure through diluted O-substitute in zinc-blende ZnY (Y = S, Se, Te) at octahedral sites in a semiconductor by the calculations of density of states (DOS), leading to a significant absorption below the band gap of the parent semiconductor and an enhancement of the optical absorption in the whole energy range of the solar spectrum. It is found that the intermediate band states should be described as a result of the coupling between impurity O 2p states with the conduction band states. Moreover, the intermediate bands (IBs) in ZnTeO show high stabilization with the change of O concentration resulting from the largest electronegativity difference between O and Te compared with in the other ZnSO and ZnSeO. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Phenomena and significance of intermediate spillover in electrocatalysis of oxygen and hydrogen electrode reactions

Directory of Open Access Journals (Sweden)

Jakšić Jelena M.

2012-01-01

Full Text Available Altervalent hypo-d-oxides of transition metal series impose spontaneous dissociative adsorption of water molecules and pronounced membrane spillover transferring properties instantaneously resulting with corresponding bronze type (Pt/HxWO3 under cathodic, and/or its hydrated state (Pt/W(OH6 responsible for the primary oxide (Pt-OH effusion, under anodic polarization, this way establishing instantaneous reversibly revertible alterpolar bronze features (Pt/H0.35WO3 Pt/W(OH6, and substantially advanced electrocatalytic properties of these composite interactive electrocatalysts. As the consequence, the new striking and unpredictable prospects both in law and medium temperature proton exchange membrane fuell cell (L&MT PEMFC and water electrolysis (WE have been opened by the interactive supported individual (Pt, Pd, Ni or prevailing hyper-d-electronic nanostructured intermetallic phase clusters (WPt3, NbPt3, HfPd3, ZrNi3, grafted upon and within high altervalent capacity hypo-d-oxides (WO3, Nb2O5, Ta2O5, TiO2 and their proper mixed valence compounds, to create a novel type of alterpolar interchangeable composite electrocatalysts for hydrogen and oxygen electrode reactions. Whereas in aqueous media Pt (Pt/C features either chemisorbed catalytic surface properties of H-adatoms (Pt-H, or surface oxide (Pt=O, missing any effusion of other interacting species, new generation and selection of composite and interactive strong metal-support interaction (SMSI electrocatalysts in condensed wet state primarily characterizes interchangeable extremely fast reversible spillover of either H-adatoms, or the primary oxides (Pt-OH, Au-OH, or the invertible bronze type behavior of these significant interactive electrocatalytic ingredients. Such nanostructured type electrocatalysts, even of mixed hypo-d-oxide structure (Pt/H0.35WO3/TiO2/C, Pt/HxNbO3/TiO2/C, have for the first time been synthesized by the sol-gel methods and shown rather high stability, electron

Governance-Default Risk Relationship and the Demand for Intermediated and Non-Intermediated Debt

Directory of Open Access Journals (Sweden)

Husam Aldamen

2012-09-01

Full Text Available This paper explores the impact of corporate governance on the demand for intermediated debt (asset finance, bank debt, non-bank private debt and non-intermediated debt (public debt in the Australian debt market. Relative to other countries the Australian debt market is characterised by higher proportions of intermediated or private debt with a lower inherent level of information asymmetry in that private lenders have greater access to financial information (Gray, Koh & Tong 2009. Our firm level, cross-sectional evidence suggests that higher corporate governance impacts demand for debt via the mitigation of default risk. However, this relationship is not uniform across all debt types. Intermediated debt such as bank and asset finance debt are more responsive to changes in governance-default risk relationship than non-bank and non-intermediated debt. The implication is that a firm’s demand for different debt types will reflect its governance-default risk profile.

Influence of generated intermediates’ interaction on heterogeneous Fenton's degradation of an azo dye 1-diazo-2-naphthol-4-sulfonic acid by using sludge based carbon as catalyst

International Nuclear Information System (INIS)

Gu, Lin; Huang, Shouqiang; Zhu, Nanwen; Zhang, Daofang; Yuan, Haiping; Lou, Ziyang

2013-01-01

Highlights: • End-products have higher tendency to be adsorbed on SC than primarily-formed. • Higher initial H 2 O 2 dosage results in intermediates with strong polarity. • 9 model intermediates differ in their behavior on interactions with catalysts. • Polar surface area dominated their adsorption on SC while K ow acts as a key role on HSC. -- Abstract: Sewage sludge based carbons have recently been used as novel catalyst in heterogeneous Fenton's reactions to degrade azo dye molecules. The carbons, functioning as both catalyst and adsorbent, play an important role in pollutants elimination, especially for those simultaneously generated organic intermediates. Different factors, i.e., H 2 O 2 concentration, may influence the type and properties of those intermediates and may have great impacts on their elimination through the interactions with catalysts’ surface. Thus, techniques including Temperature Programmed Desorption-Mass Spectrometer (TPD-MS), N 2 adsorption isotherm and Scanning Electron Microscope (SEM) were used to probe the ways of the interaction between oxidation products and catalyst by using different initial H 2 O 2 concentrations (10 and 20 mM). The higher Chemical Oxygen Demand (COD) removal with 20 mM H 2 O 2 was found to be related not only to the higher hydroxyl radicals but also the specific interactions between the intermediates and catalyst’ surface. The deep oxidation occurred in the conditions with higher oxidant amount enhances the intermediates’ adsorption on catalyst, thus increasing the COD removal by large margin. Simulated adsorption experiments by using six primarily formed intermediates and three deeply mineralized products on three different catalysts also confirmed the assumption. Results suggested close relations between adsorption capacities and intermediates’ properties such as polar surface area and octanol-water partition coefficient

Mapping intermediate degradation products of poly(lactic-co-glycolic acid) in vitro.

Science.gov (United States)

Li, Jian; Nemes, Peter; Guo, Ji

2018-04-01

There is widespread interest in using absorbable polymers, such as poly(lactic-co-glycolic acid) (PLGA), as components in the design and manufacture of new-generation drug eluting stents (DES). PLGA undergoes hydrolysis to progressively degrade through intermediate chemical entities to simple organic acids that are ultimately absorbed by the human body. Understanding the composition and structure of these intermediate degradation products is critical not only to elucidate polymer degradation pathways accurately, but also to assess the safety and performance of absorbable cardiovascular implants. However, analytical approaches to determining the intermediate degradation products have yet to be established and evaluated in a standard or regulatory setting. Hence, we developed a methodology using electrospray ionization mass spectrometry to qualitatively and quantitatively describe intermediate degradation products generated in vitro from two PLGA formulations commonly used in DES. Furthermore, we assessed the temporal evolution of these degradation products using time-lapse experiments. Our data demonstrated that PLGA degradation products via heterogeneous cleavage of ester bonds are modulated by multiple intrinsic and environmental factors, including polymer chemical composition, degradants solubility in water, and polymer synthesis process. We anticipate the methodologies and outcomes presented in this work will elevate the mechanistic understanding of comprehensive degradation profiles of absorbable polymeric devices, and facilitate the design and regulation of cardiovascular implants by supporting the assessments of the associated biological response to degradation products. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1129-1137, 2018. © 2017 Wiley Periodicals, Inc.

Steam generator arrangement

International Nuclear Information System (INIS)

Ssinegurski, E.

1981-01-01

A steam flow path arrangement for covering the walls of the rear gas pass of a steam generator is disclosed. The entire flow passes down the sidewalls with a minor portion then passing up through the rear wall to a superheater inlet header at an intermediate elevation. The major portion of the flow passes up the front wall and through hanger tubes to a roof header. From there the major portion passes across the roof and down the rear wall to the superheater inlet header at the intermediate elevation

SLC1 and SLC4 encode partially redundant acyl-coenzyme A 1-acylglycerol-3-phosphate O-acyltransferases of budding yeast

DEFF Research Database (Denmark)

Benghezal, Mohammed; Roubaty, Carole; Veepuri, Vijayanath

2007-01-01

Phosphatidic acid is the intermediate, from which all glycerophospholipids are synthesized. In yeast, it is generated from lysophosphatidic acid, which is acylated by Slc1p, an sn-2-specific, acyl-coenzyme A-dependent 1-acylglycerol-3-phosphate O-acyltransferase. Deletion of SLC1 is not lethal...

Synthesis of LaCoO{sub 3} nano-powders by aqueous gel-casting for intermediate temperature solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Cheng, Chia Siang; Zhang, Lan; Jiang, San Ping [School of Mechanical and Aerospace Engineering, Nanyang Technological University (Singapore); Zhang, Yu.Jun [Key Lab for Liquid Structure and Heredity of Ministry of Education, School of Materials Science and Engineering, Shandong University, Jinan (China)

2008-04-15

LaCoO{sub 3} (LC) perovskite powders for intermediate temperature solid oxide fuel cells (IT-SOFCs) are synthesized by a simple and cost-effective aqueous gel-casting technique using metal nitrates as raw materials. Effect of the ratio of organic precursors (acrylamide (AM) monomer and N,N'-Methylenebisacrylamide (MBAM) crosslinker) to metal nitrates (lanthanum nitrate, cobalt nitrate) and the ratio of AM to MBAM on the particle size are investigated in detail. TEM results indicate that the particle size of LC nano-powders is in the range of 31-60 nm and decreases with increasing ratio of organic precursor to metal nitrates but is not affected by the ratio of AM to MBAM. Preliminary results show that the nano-structured electrode approach based on wet impregnation is effective to combine the high electrocatalytic activity of LC nano-powders and the structural stability of La{sub 0.72}Sr{sub 0.18}MnO{sub 3} {sub -} {sub {delta}} (LSM) electrodes for the development of IT-SOFC cathodes. (author)

Power generation from base excitation of a Kevlar composite beam with ZnO nanowires

Science.gov (United States)

Malakooti, Mohammad H.; Hwang, Hyun-Sik; Sodano, Henry A.

2015-04-01

One-dimensional nanostructures such as nanowires, nanorods, and nanotubes with piezoelectric properties have gained interest in the fabrication of small scale power harvesting systems. However, the practical applications of the nanoscale materials in structures with true mechanical strengths have not yet been demonstrated. In this paper, piezoelectric ZnO nanowires are integrated into the fiber reinforced polymer composites serving as an active phase to convert the induced strain energy from ambient vibration into electrical energy. Arrays of ZnO nanowires are grown vertically aligned on aramid fibers through a low-cost hydrothermal process. The modified fabrics with ZnO nanowires whiskers are then placed between two carbon fabrics as the top and the bottom electrodes. Finally, vacuum resin transfer molding technique is utilized to fabricate these multiscale composites. The fabricated composites are subjected to a base excitation using a shaker to generate charge due to the direct piezoelectric effect of ZnO nanowires. Measuring the generated potential difference between the two electrodes showed the energy harvesting application of these multiscale composites in addition to their superior mechanical properties. These results propose a new generation of power harvesting systems with enhanced mechanical properties.

Dye-sensitized Pt@TiO2 core–shell nanostructures for the efficient photocatalytic generation of hydrogen

Directory of Open Access Journals (Sweden)

Jun Fang

2014-03-01

Full Text Available Pt@TiO2 core–shell nanostructures were prepared through a hydrothermal method. The dye-sensitization of these Pt@TiO2 core–shell structures allows for a high photocatalytic activity for the generation of hydrogen from proton reduction under visible-light irradiation. When the dyes and TiO2 were co-excited through the combination of two irradiation beams with different wavelengths, a synergic effect was observed, which led to a greatly enhanced H2 generation yield. This is attributed to the rational spatial distribution of the three components (dye, TiO2, Pt, and the vectored transport of photogenerated electrons from the dye to the Pt particles via the TiO2 particle bridge.

Effects of the rate of supersaturation generation on polymorphic crystallization of m-hydroxybenzoic acid and o-aminobenzoic acid

Science.gov (United States)

He, Guangwen; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.

2011-01-01

Effects of the rate of supersaturation generation on polymorphic crystallization have been investigated through evaporation and cooling crystallization experiments of m-hydroxybenzoic acid (m-HBA) in methanol, acetone and ethyl acetate, and o-aminobenzoic acid (o-ABA) in ethanol. The rate of supersaturation generation has been altered by systematically changing either the cooling rate or the evaporation rate of solvent using a jacketed crystallizer and a microfluidic evaporation device, respectively. The results have revealed that the rate of supersaturation generation and the tendency of the formation of the less stable polymorph are positively correlated. Kinetic effects are dominant when the rate of supersaturation generation is high, thereby producing the metastable polymorphs (orthorhombic m-HBA; Form II of o-ABA); on the contrary, more stable polymorphs (monoclinic m-HBA; Forms III and I of o-ABA) are formed when the rate of supersaturation generation is low and the thermodynamic effects are prevailing.

O vacancy formation in (Pr/Gd)BaCo2O5.5 and the role of antisite defects

KAUST Repository

Omotayo Akande, Salawu

2017-04-20

In search for materials for intermediate temperature solid oxide fuel cells, (Pr/Gd)BaCo2O5.5 is investigated by first principles calculations. Antisite defects are considered as they may modify the electronic and O diffusion properties but are rarely studied in double perovskite oxides. Octahedrally coordinated Co atoms are shown to realize intermediate and high spin states for PrBaCo2O5.5 and GdBaCo2O5.5, respectively, while pyramidally coordinated Co atoms always have high spin. It turns out that O vacancy formation is significantly easier in PrBaCo2O5.5 than in GdBaCo2O5.5, the difference in formation energy being hardly modified by antisite defects. While pyramidally coordinated Co atoms are not affected, we show that the presence of antisite defects causes parts of the octahedrally coordinated Co atoms to switch from intermediate to high spin.

Structures of aspartic acid-96 in the L and N intermediates of bacteriorhodopsin: analysis by Fourier transform infrared spectroscopy

Science.gov (United States)

Maeda, A.; Sasaki, J.; Shichida, Y.; Yoshizawa, T.; Chang, M.; Ni, B.; Needleman, R.; Lanyi, J. K.

1992-01-01

The light-induced difference Fourier transform infrared spectrum between the L or N intermediate minus light-adapted bacteriorhodopsin (BR) was measured in order to examine the protonated states and the changes in the interactions of carboxylic acids of Asp-96 and Asp-115 in these intermediates. Vibrational bands due to the protonated and unprotonated carboxylic acid were identified by isotope shift and band depletion upon substitution of Asp-96 or -115 by asparagine. While the signal due to the deprotonation of Asp-96 was clearly observed in the N intermediate, this residue remained protonated in L. Asp-115 was partially deprotonated in L. The C = O stretching vibration of protonated Asp-96 of L showed almost no shift upon 2H2O substitution, in contrast to the corresponding band of Asp-96 or Asp-115 of BR, which shifted by 9-12 cm-1 under the same conditions. In the model system of acetic acid in organic solvents, such an absence of the shift of the C = O stretching vibration of the protonated carboxylic acid upon 2H2O substitution was seen only when the O-H of acetic acid is hydrogen-bonded. The non-hydrogen-bonded monomer showed the 2H2O-dependent shift. Thus, the O-H bond of Asp-96 enters into hydrogen bonding upon conversion of BR to L. Its increased hydrogen bonding in L is consistent with the observed downshift of the O-H stretching vibration of the carboxylic acid of Asp-96.

Intermediate Temperature Proton Conductors – Why and How

OpenAIRE

Li, Qingfeng; Aili, David; Jensen, Jens Oluf; Cleemann, Lars Nilausen

2016-01-01

The current technologies of fuel cells and electrolzers are based on ionic conducting electrolyte materials exclusively operational either in the low (20 - 200ºC) or high (600 - 1000ºC) temperature ranges. The intermediate temperature window, especially between 200 and 400 ºC, is still only represented by early fundamental material research for ionic electrolytes. Such materials, most likely based on proton conductors, are expected to bring a new generation of the technologies: fuel cells by ...

ABA-alcohol is an intermediate in abscisic acid biosynthesis

International Nuclear Information System (INIS)

Rock, C.D.; Zeevaart, J.A.D.

1990-01-01

It has been established that ABA-aldehyde is a precursor to ABA. The ABA-deficient flacca and sitiens mutants of tomato are blocked in the conversion of ABA-aldehyde to ABA, and accumulate trans-ABA-alcohol. 18 O-Labeling studies of ABA in flacca and sitiens show that these mutants synthesize a large percentage of [ 18 O]ABA which contains two 18 O atoms in the carboxyl group. Furthermore, the mutants synthesize much greater amounts of trans-ABA-glucose ester (t-ABA-GE) compared with the wild type, and this [ 18 O]t-ABA-GE is also double labeled in the carboxyl group. Our interpretation of these data is that the 18 O in ABA-aldehyde is trapped in the side chain by reduction to [ 18 O]ABA-alcohol, followed by isomerization to [ 18 O]t-ABA-alcohol and oxidation with 18 O 2 to [ 18 O]t-ABA. The [ 18 O]t-ABA is then rapidly converted to [ 18 O]t-ABA-GE. Because [ 18 O]ABA doubly labeled in the carboxyl group has been observed in small amounts in labeling experiments with several species, and various species have been shown to convert ABA-aldehyde to ABA-alcohol and t-ABA-alcohol, we propose that ABA-alcohol is an ABA intermediate in a shunt pathway

Covalent functionalization of graphene with reactive intermediates.

Science.gov (United States)

Park, Jaehyeung; Yan, Mingdi

2013-01-15

Graphene, a material made exclusively of sp(2) carbon atoms with its π electrons delocalized over the entire 2D network, is somewhat chemically inert. Covalent functionalization can enhance graphene's properties including opening its band gap, tuning conductivity, and improving solubility and stability. Covalent functionalization of pristine graphene typically requires reactive species that can form covalent adducts with the sp(2) carbon structures in graphene. In this Account, we describe graphene functionalization reactions using reactive intermediates of radicals, nitrenes, carbenes, and arynes. These reactive species covalently modify graphene through free radical addition, CH insertion, or cycloaddition reactions. Free radical additions are among the most common reaction, and these radicals can be generated from diazonium salts and benzoyl peroxide. Electron transfer from graphene to aryl diazonium ion or photoactivation of benzoyl peroxide yields aryl radicals that subsequently add to graphene to form covalent adducts. Nitrenes, electron-deficient species generated by thermal or photochemical activation of organic azides, can functionalize graphene very efficiently. Because perfluorophenyl nitrenes show enhanced bimolecular reactions compared with alkyl or phenyl nitrenes, perfluorophenyl azides are especially effective. Carbenes are used less frequently than nitrenes, but they undergo CH insertion and C═C cycloaddition reactions with graphene. In addition, arynes can serve as a dienophile in a Diels-Alder type reaction with graphene. Further study is needed to understand and exploit the chemistry of graphene. The generation of highly reactive intermediates in these reactions leads to side products that complicate the product composition and analysis. Fundamental questions remain about the reactivity and regioselectivity of graphene. The differences in the basal plane and the undercoordinated edges of graphene and the zigzag versus arm-chair configurations

Next Generation Nuclear Plant Steam Generator and Intermediate Heat Exchanger Materials Research and Development Plan

Energy Technology Data Exchange (ETDEWEB)

J. K. Wright

2010-09-01

DOE has selected the High Temperature Gas-cooled Reactor (HTGR) design for the Next Generation Nuclear Plant (NGNP) Project. The NGNP will demonstrate the use of nuclear power for electricity and hydrogen production. It will have an outlet gas temperature in the range of 900°C and a plant design service life of 60 years. The reactor design will be a graphite moderated, helium-cooled, prismatic or pebble-bed reactor and use low-enriched uranium, Tri-Isotopic (TRISO)-coated fuel. The plant size, reactor thermal power, and core configuration will ensure passive decay heat removal without fuel damage or radioactive material releases during accidents. The NGNP Materials Research and Development (R&D) Program is responsible for performing R&D on likely NGNP materials in support of the NGNP design, licensing, and construction activities. Today’s high-temperature alloys and associated ASME Codes for reactor applications are approved up to 760°C. However, some primary system components, such as the Intermediate Heat Exchanger (IHX) for the NGNP will require use of materials that can withstand higher temperatures. The thermal, environmental, and service life conditions of the NGNP will make selection and qualification of some high-temperature materials a significant challenge. Examples include materials for the core barrel and core internals, such as the control rod sleeves. The requirements of the materials for the IHX are among the most demanding. Selection of the technology and design configuration for the NGNP must consider both the cost and risk profiles to ensure that the demonstration plant establishes a sound foundation for future commercial deployments. The NGNP challenge is to achieve a significant advancement in nuclear technology while at the same time setting the stage for an economically viable deployment of the new technology in the commercial sector soon after 2020. A number of solid solution strengthened nickel based alloys have been considered for

Enhanced piezoelectric operation of NiO/GaN heterojunction generator by suppressed internal carrier screening

International Nuclear Information System (INIS)

Jeong, Dae Kyung; Kang, Jin-Ho; Ryu, Sang-Wan; Ha, Jun-Seok

2017-01-01

A NiO/GaN heterojunction piezoelectric generator was fabricated, and the improvement in device performance was analyzed. The electrical properties of NiO were varied by regulating the gas environment during sputtering. An optimized NiO layer was adopted for high piezoelectric voltage generation. Internal carrier screening was revealed to be the dominant mechanism degrading the piezoelectric performance, necessitating the suppression of carrier screening. The highly resistive NiO layer was advantageous in the suppression of carrier transport across the junction that screened the piezoelectric field. The maximum piezoelectric voltage and current density values obtained were 7.55 V and 1.14 µ A cm −2 , respectively. The power obtained was sufficient to operate a light-emitting diode combined with a charging circuit. (paper)

Rhodium(II-Catalysed Intramolecular O-H Insertion of a-Diazo-g-Azido-d-Hydroxy-b-Ketoesters: Evidence for a Novel Sigmatropic Rearrangement of an Allylic Azide Intermediate

Directory of Open Access Journals (Sweden)

Padwa Albert

1999-01-01

Full Text Available The Rh2(OAc4 catalyzed intramolecular O-H insertion reaction of delta-hydroxy-alpha-diazoesters affords 3(2H-furanone-2-carboxylates in good yield but with moderate selectivity (d.e. ca 60%. The initially formed 2,5-substituted cis-furanones were found to epimerize to the corresponding 2,5-trans isomers when subjected to silica gel chromatography. The Rh2(OAc4 catalyzed decomposition of gamma-azido-delta-hydroxy-alpha-diazoesters also furnished 3(2H-furanone-2-carboxylates. These compounds are derived by a sequential O-H insertion reaction followed by a concerted [3,3]-sigmatropic shift of the allylic azide intermediate.

Análise de custos da atenção hospitalar a recém-nascidos de risco: uma comparação entre Unidade Intermediária Convencional e Unidade Canguru Análisis de los costes de la atención hospitalaria para los recién nacidos en riesgo: una comparación entre la Unidad Intermedia Neonatal y la Unidad Canguro Cost analysis of hospital care for newborns at risk: comparison of an Intermediate Neonatal Care Unit and a Kangaroo Unit

Directory of Open Access Journals (Sweden)

Cynthia Magluta

2013-06-01

Full Text Available O objetivo deste estudo foi realizar uma análise comparativa entre o custo da Unidade Canguru e da Unidade Intermediária Convencional sob a perspectiva do SUS, no Município do Rio de Janeiro, Brasil. A população de referência é de recém-nascidos estáveis clinicamente, que podem receber assistência nas duas modalidades de cuidado. Um modelo de análise de decisão para uma coorte hipotética de mil recém-nascidos elegíveis foi elaborado para comparar os custos em cada estratégia avaliada. As probabilidades dos eventos e o consumo de recursos de saúde foram incorporados ao modelo com base na literatura e consulta a especialistas. O custo da diária foi de R$343,53 para a 2ª etapa da Unidade Canguru e de R$394,22 para a Unidade Intermediária Convencional. O custo para a coorte hipotética foi de R$5.710.281,66 para a assistência na 2ª e 3ª etapa da Unidade Canguru e de R$7.119.865,61 para a Unidade Intermediária Convencional. A Unidade Intermediária Convencional apresentou custos 25% superiores aos da Unidade Canguru. O estudo pode contribuir para a tomada de decisão na área da saúde, além de fornecer subsídios para pesquisas relacionadas à avaliação econômica na área neonatal.El objetivo de este estudio fue realizar un análisis comparativo entre el coste de la Unidad Canguro y la Unidad Intermedia Convencional, dentro de la perspectiva del Sistema Único de Salud (SUS en el municipio de Río de Janeiro, Brasil. La población de referencia son los recién nacidos clínicamente estables, que pueden recibir asistencia en ambas modalidades de atención. Se diseñó un modelo de análisis de decisión para una cohorte hipotética de 1.000 bebés elegibles, con el fin de comparar los costes de cada estrategia evaluada. Las probabilidades de ocurrencias y consumo de recursos sanitarios se incorporaron al modelo de la literatura y la consulta con expertos. El coste diario fue de R$343,53 en la 2ª etapa de la Unidad Canguro

MHD intermediate shock discontinuities: Pt. 1

International Nuclear Information System (INIS)

Kennel, C.F.; Blandford, R.D.; Coppi, P.

1989-01-01

Recent numerical investigations have focused attention once more on the role of intermediate shocks in MHD. Four types of intermediate shock are identified using a graphical representation of the MHD Rankine-Hugoniot conditions. This same representation can be used to exhibit the close relationship of intermediate shocks to switch-on shocks and rotational discontinuities. The conditions under which intermediate discontinuities can be found are elucidated. The variations in velocity, pressure, entropy and magnetic-field jumps with upstream parameters in intermediate shocks are exhibited graphically. The evolutionary arguments traditionally advanced against intermediate shocks may fail because the equations of classical MHD are not strictly hyperbolic. (author)

Internal and ancestral controls of cell-generation times

Science.gov (United States)

Kubitschek, H. E.

1969-01-01

Lateral and longitudinal correlations between related cells reveal associations between the generation times of cells for an intermediate period /three generations in bacteral cultures/. Generation times of progeny are influenced by nongenetic factors transmitted from their ancestors.

Tuning the Relative Stability and Reactivity of Manganese Dioxygen and Peroxo Intermediates via Systematic Ligand Modification.

Science.gov (United States)

Kovacs, Julie A

2015-10-20

Many fundamental processes of life depend on the chemical energy stored in the O–O bond of dioxygen (O2), the majority of which is derived from photosynthetic H2O oxidation. Key steps in these processes involve Mn-, Fe-, or Cu-promoted formation or cleavage of O–O and O–H bonds, the mechanisms of which are not fully understood, especially with Mn. Metal–peroxo and high-valent metal–oxo species are proposed to be involved as intermediates. The metal ion properties that favor O–O and O–H bond formation versus cleavage have yet to be systematically explored. Herein we examine the O2 reactivity of a series of structurally related Mn(II) complexes and show that several metastable intermediates are observed, the relative stabilities of which depend on subtle differences in ligand architecture. We show that in contrast to Fe and Cu complexes, O2 binds irreversibly to Mn(II). By crystallizing an entire series of the first reported examples of Mn(III)–OOR peroxos as well as an O2-derived binuclear trans-μ-1,2-bridged Mn(III)–peroxo with varying degrees of O–O bond activation, we demonstrate that there are distinct correlations between spectroscopic, structural, and reactivity properties. Rate-limiting O–O bond cleavage is shown to afford a reactive species capable of abstracting H atoms from 2,4-tBu2-PhOH or 1,4-cyclohexadiene, depending on the ligand substituents. The weakly coordinated N-heterocycle Mn···Npy,quino distance is shown to correlate with the peroxo O–O bond length and modulate the π overlap between the filled πv*(O–O) and Mn dxz orbitals. We also show that there is a strong correlation between the peroxo → Mn charge transfer (CT) band and the peroxo O–O bond length. The energy difference between the CT bands associated with the peroxos possessing the shortest and longest O–O bonds shows that these distances are spectroscopically distinguishable. We show that we can use this spectroscopic parameter to estimate the O–O

Review of recent experiments in intermediate energy nuclear physics

Energy Technology Data Exchange (ETDEWEB)

Barnes, P D [Carnegie-Mellon Univ., Pittsburgh, PA (USA)

1978-01-01

The data generated at intermediate-energy accelerator facilities has expanded rapidly over the past few years. A number of recent experiments chosen for their impact on nuclear structure questions are reviewed. Proton scattering together with pionic and muonic atom X-ray measurements are shown to be giving very precise determinations of gross nuclear properties. Pion scattering and reaction data although less precise, are starting to generate a new understanding of wave functions of specific nuclear states. Specific examples where new unpublished data are now available are emphasized. In addition, other medium-energy experiments that are starting to contribute to nuclear structure physics are summarized.

Atmospheric fates of Criegee intermediates in the ozonolysis of isoprene.

Science.gov (United States)

Nguyen, Tran B; Tyndall, Geoffrey S; Crounse, John D; Teng, Alexander P; Bates, Kelvin H; Schwantes, Rebecca H; Coggon, Matthew M; Zhang, Li; Feiner, Philip; Milller, David O; Skog, Kate M; Rivera-Rios, Jean C; Dorris, Matthew; Olson, Kevin F; Koss, Abigail; Wild, Robert J; Brown, Steven S; Goldstein, Allen H; de Gouw, Joost A; Brune, William H; Keutsch, Frank N; Seinfeld, John H; Wennberg, Paul O

2016-04-21

We use a large laboratory, modeling, and field dataset to investigate the isoprene + O3 reaction, with the goal of better understanding the fates of the C1 and C4 Criegee intermediates in the atmosphere. Although ozonolysis can produce several distinct Criegee intermediates, the C1 stabilized Criegee (CH2OO, 61 ± 9%) is the only one observed to react bimolecularly. We suggest that the C4 Criegees have a low stabilization fraction and propose pathways for their decomposition. Both prompt and non-prompt reactions are important in the production of OH (28% ± 5%) and formaldehyde (81% ± 16%). The yields of unimolecular products (OH, formaldehyde, methacrolein (42 ± 6%) and methyl vinyl ketone (18 ± 6%)) are fairly insensitive to water, i.e., changes in yields in response to water vapor (≤4% absolute) are within the error of the analysis. We propose a comprehensive reaction mechanism that can be incorporated into atmospheric models, which reproduces laboratory data over a wide range of relative humidities. The mechanism proposes that CH2OO + H2O (k(H2O)∼ 1 × 10(-15) cm(3) molec(-1) s(-1)) yields 73% hydroxymethyl hydroperoxide (HMHP), 6% formaldehyde + H2O2, and 21% formic acid + H2O; and CH2OO + (H2O)2 (k(H2O)2∼ 1 × 10(-12) cm(3) molec(-1) s(-1)) yields 40% HMHP, 6% formaldehyde + H2O2, and 54% formic acid + H2O. Competitive rate determinations (kSO2/k(H2O)n=1,2∼ 2.2 (±0.3) × 10(4)) and field observations suggest that water vapor is a sink for greater than 98% of CH2OO in a Southeastern US forest, even during pollution episodes ([SO2] ∼ 10 ppb). The importance of the CH2OO + (H2O)n reaction is demonstrated by high HMHP mixing ratios observed over the forest canopy. We find that CH2OO does not substantially affect the lifetime of SO2 or HCOOH in the Southeast US, e.g., CH2OO + SO2 reaction is a minor contribution (production by stabilized Criegees is likely unimportant in regions dominated by the reactivity of ozone with isoprene. In contrast

Formation of Al2O3-HfO2 Eutectic EBC Film on Silicon Carbide Substrate

Directory of Open Access Journals (Sweden)

Kyosuke Seya

2015-01-01

Full Text Available The formation mechanism of Al2O3-HfO2 eutectic structure, the preparation method, and the formation mechanism of the eutectic EBC layer on the silicon carbide substrate are summarized. Al2O3-HfO2 eutectic EBC film is prepared by optical zone melting method on the silicon carbide substrate. At high temperature, a small amount of silicon carbide decomposed into silicon and carbon. The components of Al2O3 and HfO2 in molten phase also react with the free carbon. The Al2O3 phase reacts with free carbon and vapor species of AlO phase is formed. The composition of the molten phase becomes HfO2 rich from the eutectic composition. HfO2 phase also reacts with the free carbon and HfC phase is formed on the silicon carbide substrate; then a high density intermediate layer is formed. The adhesion between the intermediate layer and the substrate is excellent by an anchor effect. When the solidification process finished before all of HfO2 phase is reduced to HfC phase, HfC-HfO2 functionally graded layer is formed on the silicon carbide substrate and the Al2O3-HfO2 eutectic structure grows from the top of the intermediate layer.

Holocene glacier variability: three case studies using an intermediate-complexity climate model

NARCIS (Netherlands)

Weber, S.L.; Oerlemans, J.

2003-01-01

Synthetic glacier length records are generated for the Holocene epoch using a process-based glacier model coupled to the intermediate-complexity climate model ECBilt. The glacier model consists of a massbalance component and an ice-flow component. The climate model is forced by the insolation change

Influence of generated intermediates’ interaction on heterogeneous Fenton's degradation of an azo dye 1-diazo-2-naphthol-4-sulfonic acid by using sludge based carbon as catalyst

Energy Technology Data Exchange (ETDEWEB)

Gu, Lin [School of Environment and Architecture, University of Shanghai for Science and Technology, Shanghai 200093 (China); School of Environmental Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China); Huang, Shouqiang [School of Environmental Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China); Zhu, Nanwen, E-mail: nwzhu@sjtu.edu.cn [School of Environmental Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China); Zhang, Daofang, E-mail: Zhangdf-usst@163.com [School of Environment and Architecture, University of Shanghai for Science and Technology, Shanghai 200093 (China); Yuan, Haiping; Lou, Ziyang [School of Environmental Science and Technology, Shanghai Jiao Tong University, Shanghai 200240 (China)

2013-12-15

Highlights: • End-products have higher tendency to be adsorbed on SC than primarily-formed. • Higher initial H{sub 2}O{sub 2} dosage results in intermediates with strong polarity. • 9 model intermediates differ in their behavior on interactions with catalysts. • Polar surface area dominated their adsorption on SC while K{sub ow} acts as a key role on HSC. -- Abstract: Sewage sludge based carbons have recently been used as novel catalyst in heterogeneous Fenton's reactions to degrade azo dye molecules. The carbons, functioning as both catalyst and adsorbent, play an important role in pollutants elimination, especially for those simultaneously generated organic intermediates. Different factors, i.e., H{sub 2}O{sub 2} concentration, may influence the type and properties of those intermediates and may have great impacts on their elimination through the interactions with catalysts’ surface. Thus, techniques including Temperature Programmed Desorption-Mass Spectrometer (TPD-MS), N{sub 2} adsorption isotherm and Scanning Electron Microscope (SEM) were used to probe the ways of the interaction between oxidation products and catalyst by using different initial H{sub 2}O{sub 2} concentrations (10 and 20 mM). The higher Chemical Oxygen Demand (COD) removal with 20 mM H{sub 2}O{sub 2} was found to be related not only to the higher hydroxyl radicals but also the specific interactions between the intermediates and catalyst’ surface. The deep oxidation occurred in the conditions with higher oxidant amount enhances the intermediates’ adsorption on catalyst, thus increasing the COD removal by large margin. Simulated adsorption experiments by using six primarily formed intermediates and three deeply mineralized products on three different catalysts also confirmed the assumption. Results suggested close relations between adsorption capacities and intermediates’ properties such as polar surface area and octanol-water partition coefficient.

Low and intermediate radioactive waste management at OPG's western waste management facility

International Nuclear Information System (INIS)

Ellsworth, M.

2006-01-01

'Full text:' This paper will discuss low and intermediate level radioactive waste operations at Ontario Power Generation's Western Waste Management Facility. The facility has been in operation since 1974 and receives about 5000 - 7000 m 3 of low and intermediate level radioactive waste per year from Ontario's nuclear power plants. Low-level radioactive waste is received at the Waste Volume Reduction Building for possible volume reduction before it is placed into storage. Waste may be volume reduced by one of two methods at the WWMF, through either compaction or incineration. The Compactor is capable of reducing the volume of waste by a factor up to 5:1 for most waste. The Radioactive Incinerator is capable of volume reducing incinerable material by a factor up to 70:1. After processing, low-level waste is stored in above ground concrete warehouse-like structures called Low Level Storage Buildings. Low-level waste that cannot be volume reduced is placed into steel containers and stored in the Low Level Storage Buildings. Intermediate level waste is stored mainly in steel lined concrete storage structures. WWMF has both above ground and in-ground storage structures for intermediate level waste. Intermediate level waste consists primarily of resin and filters used to keep reactor water systems clean, and some used reactor core components. All low and intermediate level waste storage at the WWMF is considered interim storage and the material can be retrieved for future disposal or permanent storage. Current improvement initiatives include the installation of a new radioactive incinerator and a shredder/bagger. The new incinerator is a continuous feed system that is expected to achieve volume reduction rates up to 70:1, while incinerating higher volumes of waste than its predecessor. The shredder will break down large/bulky items into a form, which can be processed for further volume reduction. A Refurbishment Waste Storage Project is underway in anticipation of the

Thermal decomposition of barium ferrate(VI): Mechanism and formation of Fe{sup IV} intermediate and nanocrystalline Fe{sub 2}O{sub 3} and ferrite

Energy Technology Data Exchange (ETDEWEB)

Machala, Libor, E-mail: libor.machala@upol.cz [Regional Centre of Advanced Technologies and Materials, Department of Experimental Physics, Faculty of Science, Palacký University, Olomouc (Czech Republic); Sharma, Virender K. [Department of Environmental and Occupational Health, School of Public Health, Texas A& M University, 1266 TAMU, College Station, TX 77843 (United States); Kuzmann, Ernö; Homonnay, Zoltán [Institute of Chemistry, Eötvös Loránd University, Budapest (Hungary); Filip, Jan; Kralchevska, Radina P. [Regional Centre of Advanced Technologies and Materials, Department of Experimental Physics, Faculty of Science, Palacký University, Olomouc (Czech Republic)

2016-05-25

Simple high-valent iron-oxo species, ferrate(VI) (Fe{sup VI}O{sub 4}{sup 2−}, Fe(VI)) has applications in energy storage, organic synthesis, and water purification. Of the various salts of Fe(VI), barium ferrate(VI) (BaFeO{sub 4}) has also a great potential as a battery material. This paper presents the thermal decomposition of BaFeO{sub 4} in static air and nitrogen atmosphere, monitored by combination of thermal analysis, Mössbauer spectroscopy, X-ray powder diffraction, and electron-microscopic techniques. The formation of Fe{sup IV} species in the form of BaFeO{sub 3} was found to be the primary decomposition product of BaFeO{sub 4} at temperature around 190 °C under both studied atmospheres. BaFeO{sub 3} was unstable in air reacting with CO{sub 2} to form barium carbonate and speromagnetic amorphous iron(III) oxide nanoparticles (<5 nm). Above 600 °C, a solid state reaction between BaCO{sub 3} and Fe{sub 2}O{sub 3} occurred, leading to the formation of barium ferrite nanoparticles, BaFe{sub 2}O{sub 4} (20–100 nm). - Highlights: • We explained the mechanism of thermal decomposition of barium ferrate(VI). • We confirmed the formation of Fe(IV) intermediate phase during the decomposition. • The mechanism of the decomposition is influenced by a presence of carbon dioxide.

Marginal fit at cylinder-abutment interface before and after overcasting procedure Adaptação marginal na interface intermediário-cilindro antes e após as sobrefundições

Directory of Open Access Journals (Sweden)

Luciana Martins Cres Moraes

2005-12-01

Full Text Available The aim of this study was to measure marginal fit at cylinder-abutment interface, before and after overcasting procedure. A hexagonal implant was fixed to a stainless steel base and a Estheticone-like abutment used during all the experiment. Before casting procedure, gold (Group I and Ni-Cr-Be (Group II premachined cylinders were tightened to the abutment with gold and titanium screws (in both groups, with 10Ncm and 20Ncm torque values for the same screw type. Vertical measures were taken at the light microscope (Mitutoyo 5050, Tokyo, Japan three times in six different parts along the abutment-cylinder interface for each torque value. Cylinders were overcast with Ag-Pd (Group I or Ni-Cr-Be (Group II alloy. After casting, the same measures and torque values were repeated. Intragroup differences (10 or 20Ncm torque values, before and after casting and intergroup differences (10 and 20Ncm torque values, before or after casting were analyzed by the Paired t Test; (pO objetivo deste estudo foi medir a adaptação marginal na interface intermediário-cilindro, antes e após a sobrefundição. Um implante do tipo hexágono externo afixado numa base de aço inoxidável e um intermediário do tipo Estheticone foram usados durante todo o experimento. Antes das fundições, cilindros pré-usinados de ouro (Grupo I e de Ni-Cr-Be (Grupo II foram aparafusados ao intermediário com parafusos de ouro e titânio em ambos os grupos, com torques de 10Ncm e 20Ncm para o mesmo tipo de parafuso. As medidas verticais foram feitas num microscópio óptico (Mitutoyo 5050, Tóquio, Japão três vezes em seis locais diferentes ao longo da interface intermediário-cilindro para cada valor de torque. Os cilindros foram encerados e fundidos tanto em liga de Ag-Pd (Grupo I ou liga de Ni-Cr-Be (Grupo II. Após as fundições, as mesmas medidas e os mesmos valores de torque foram repetidos. As diferenças intra-grupo (torques de 10 ou 20Ncm, antes e após as fundições e as

The mechanism behind internally generated centennial-to-millennial scale climate variability in an earth system model of intermediate complexity

Directory of Open Access Journals (Sweden)

T. Friedrich

2010-08-01

Full Text Available The mechanism triggering centennial-to-millennial-scale variability of the Atlantic Meridional Overturning Circulation (AMOC in the earth system model of intermediate complexity LOVECLIM is investigated. It is found that for several climate boundary conditions such as low obliquity values (~22.1° or LGM-albedo, internally generated centennial-to-millennial-scale variability occurs in the North Atlantic region. Stochastic excitations of the density-driven overturning circulation in the Nordic Seas can create regional sea-ice anomalies and a subsequent reorganization of the atmospheric circulation. The resulting remote atmospheric anomalies over the Hudson Bay can release freshwater pulses into the Labrador Sea and significantly increase snow fall in this region leading to a subsequent reduction of convective activity. The millennial-scale AMOC oscillations disappear if LGM bathymetry (with closed Hudson Bay is prescribed or if freshwater pulses are suppressed artificially. Furthermore, our study documents the process of the AMOC recovery as well as the global marine and terrestrial carbon cycle response to centennial-to-millennial-scale AMOC variability.

Generator of 99m Tc with MnO2 as support of 99 Mo

International Nuclear Information System (INIS)

Granados C, F.; Serrano G, J.

2002-01-01

The generator of 99m Tc with MnO 2 as support of 99 Mo was studied. By mean of static experiments the retention of 99 Mo in MnO 2 in function of the stirring time and of the p H value of the solution of 99 Mo. It was found that the 99 Mo presents 100% of retention in MnO 2 in the rank of p H 3-11 and the balance was reached before of 10 minutes. In dynamic conditions the retention of 99 Mo in MnO 2 at p H=5 was also higher: 99.72%. The generated 99m Tc can be separated from 99 Mo, adsorbed in MnO 2 packed in the column, using distilled water at p H=5 or NaCl solution at 0.9%. With saline solution the elution yields were greater than 80% and only an aliquot of 5 ml was necessary for obtaining this yield. The better results were obtained when the column was packed with 1 g of MnO 2 . The water and the saline solution were passed through of the column with a flux of 1.25 ml/min. (Author)

Possibility of the use of intermediate carbidsiliconoxide nanolayers on polydiamond substrates for gallium nitride layers epitaxy

Energy Technology Data Exchange (ETDEWEB)

Averichkin, P. A., E-mail: P-Yugov@mail.ru; Donskov, A. A. [State Research and Design Institute of Rare-Metal Industry Giredmet AO (Russian Federation); Dukhnovsky, M. P. [R & D Enterprise Istok (Russian Federation); Knyazev, S. N. [State Research and Design Institute of Rare-Metal Industry Giredmet AO (Russian Federation); Kozlova, Yu. P. [Russian Academy of Sciences, Institute for Nuclear Research (Russian Federation); Yugova, T. G.; Belogorokhov, I. A. [State Research and Design Institute of Rare-Metal Industry Giredmet AO (Russian Federation)

2016-04-15

The results of using carbidsiliconoxide (a-C:SiO1{sub .5}) films with a thickness of 30–60 nm, produced by the pyrolysis annealing of oligomethylsilseskvioksana (CH{sub 3}–SiO{sub 1.5}){sub n} with cyclolinear (staircased) molecular structure, as intermediate films in the hydride vapor phase epitaxy of gallium nitride on polycrystalline CVD-diamond substrates are presented. In the pyrolysis annealing of (CH{sub 3}–SiO{sub 1.5}){sub n} films in an atmosphere of nitrogen at a temperature of 1060°C, methyl radicals are carbonized to yield carbon atoms chemically bound to silicon. In turn, these atoms form a SiC monolayer on the surface of a-C:SiO{sub 1.5} films via covalent bonding with silicon. It is shown that GaN islands grow on such an intermediate layer on CVD-polydiamond substrates in the process of hydride vapor phase epitaxy in a vertical reactor from the GaCl–NH{sub 3}–N{sub 2} gas mixture.

Controlled carrier screening in p-n NiO/GaN piezoelectric generators by an Al2O3 insertion layer

Science.gov (United States)

Johar, Muhammad Ali; Jeong, Dae Kyung; Afifi Hassan, Mostafa; Kang, Jin-Ho; Ha, Jun-Seok; Key Lee, June; Ryu, Sang-Wan

2017-12-01

The performance of a piezoelectric generator (PG) depends significantly on the internal screening process inside the device. As piezoelectric charges appear on both ends of the piezoelectric crystal, internal screening starts to decrease the piezoelectric bias. Therefore, the piezoelectric energy generated by external stress is not fully utilized by external circuit, which is the most challenging aspect of high-efficiency PGs. In this work, the internal screening effect of a NiO/GaN p-n PG was analyzed and controlled with an Al2O3 insertion layer. Internal screening in the p-n diode PG was categorized into free-carrier screening in neutral regions and junction screening due to charge drift across the junction. It was observed that junction screening could be significantly suppressed by inserting an Al2O3 layer and that effect was dominant in a leaky diode PG. With this implementation, the piezoelectric bias of the NiO/GaN PG was improved by a factor of ~100 for high-leakage diodes and a factor of ~1.6 for low-leakage diodes. Consequently, NiO/Al2O3/GaN PGs under a stress of 5 MPa provided a piezoelectric bias of 12.1 V and a current density of 2.25 µA cm-2. The incorporation of a highly resistive Al2O3 layer between p-NiO and n-GaN layers in NiO/GaN heterojunctions provides an efficient means of improving the piezoelectric performance by controlling the internal screening of the piezoelectric field.

Estudos cinéticos da reação peróxi-oxalato com ésteres oxálicos assimétricos e determinação dos parâmetros de ativação na decomposição de 1,2-dioxetanos

OpenAIRE

Ana Paula Fileno dos Santos

2011-01-01

Reações quimiluminescentes envolvem geralmente a formação de um intermediário de alta energia que pode ocorrer em um ou vários passos seguida pela reação térmica deste intermediário, conduzindo a um produto eletronicamente excitado e consequente liberação da energia de excitação em forma de emissão de fluorescência ou fosforescência. O mecanismo de grande parte das reações orgânicas quimiluminescentes ainda não foi completamente esclarecido, especificamente no que diz respeito ao passo de qui...

Influence of * OH adsorbates on the potentiodynamics of the CO 2 generation during the electro-oxidation of ethanol

Energy Technology Data Exchange (ETDEWEB)

Yang, Guangxing; Namin, Lida M.; Aaron Deskins, N.; Teng, Xiaowei

2017-09-01

Direct ethanol fuel cells (DEFCs) are a promising technology for the generation of electricity via the direct conversion of ethanol into CO2, showing higher thermodynamic efficiency and volumetric energy density than hydrogen fuel cells. However, implementation of DEFCs is hampered by the low CO2 selectivity during the ethanol oxidation reaction (EOR). Comprehensive understanding of the electro-kinetics and reaction pathways of CO2 generation via CC bond-breaking is not only a fundamental question for electro-catalysis, but also a key technological challenge since practical implementation of DEFC technology is contingent on its ability to selectively oxidize ethanol into CO2 to achieve exceptional energy density through 12-electron transfer reaction. Here, we present comprehensive in situ potentiodynamics studies of CO2 generation during the EOR on Pt, Pt/SnO2 and Pt/Rh/SnO2 catalysts using a house-made electrochemical cell equipped with a CO2 microelectrode. Highly sensitive CO2 measurements enable the real time detection of the partial pressure of CO2 during linear sweep voltammetry measurements, through which electro-kinetics details of CO2 generation can be obtained. In situ CO2 measurements provide the mechanistic understanding of potentiodynamics of the EOR, particularly the influence of *OH adsorbates on CO2 generation rate and selectivity. Density functional theory (DFT) simulations of Pt, Pt/SnO2, and Pt/Rh/SnO2 surfaces clarify reaction details over these catalysts. Our results show that at low potentials, inadequate *OH adsorbates impair the removal of reaction intermediates, and thus Pt/Rh/SnO2 exhibited the best performance toward CO2 generation, while at high potentials, Rh sites were overwhelmingly occupied (poisoned) by *OH adsorbates, and thus Pt/SnO2 exhibited the best performance toward CO2 generation.

Control of phonon transport by the formation of the Al2O3 interlayer in Al2O3-ZnO superlattice thin films and their in-plane thermoelectric energy generator performance.

Science.gov (United States)

Park, No-Won; Ahn, Jay-Young; Park, Tae-Hyun; Lee, Jung-Hun; Lee, Won-Yong; Cho, Kwanghee; Yoon, Young-Gui; Choi, Chel-Jong; Park, Jin-Seong; Lee, Sang-Kwon

2017-06-01

Recently, significant progress has been made in increasing the figure-of-merit (ZT) of various nanostructured materials, including thin-film and quantum dot superlattice structures. Studies have focused on the size reduction and control of the surface or interface of nanostructured materials since these approaches enhance the thermopower and phonon scattering in quantum and superlattice structures. Currently, bismuth-tellurium-based semiconductor materials are widely employed for thermoelectric (TE) devices such as TE energy generators and coolers, in addition to other sensors, for use at temperatures under 400 K. However, new and promising TE materials with enhanced TE performance, including doped zinc oxide (ZnO) multilayer or superlattice thin films, are also required for designing solid-state TE power generating devices with the maximum output power density and for investigating the physics of in-plane TE generators. Herein, we report the growth of Al 2 O 3 /ZnO (AO/ZnO) superlattice thin films, which were prepared by atomic layer deposition (ALD), and the evaluation of their electrical and TE properties. All the in-plane TE properties, including the Seebeck coefficient (S), electrical conductivity (σ), and thermal conductivity (κ), of the AO/ZnO superlattice (with a 0.82 nm-thick AO layer) and AO/ZnO films (with a 0.13 nm-thick AO layer) were evaluated in the temperature range 40-300 K, and the measured S, σ, and κ were -62.4 and -17.5 μV K -1 , 113 and 847 (Ω cm) -1 , and 0.96 and 1.04 W m -1 K -1 , respectively, at 300 K. Consequently, the in-plane TE ZT factor of AO/ZnO superlattice films was found to be ∼0.014, which is approximately two times more than that of AO/ZnO films (ZT of ∼0.007) at 300 K. Furthermore, the electrical power generation efficiency of the TE energy generator consisting of four couples of n-AO/ZnO superlattice films and p-Bi 0.5 Sb 1.5 Te 3 (p-BST) thin-film legs on the substrate was demonstrated. Surprisingly, the output

Development of Al2O3 carrier-Ru composite catalyst for hydrogen generation from alkaline NaBH4 hydrolysis

International Nuclear Information System (INIS)

Huang, Yao-Hui; Su, Chia-Chi; Wang, Shu-Ling; Lu, Ming-Chun

2012-01-01

A recyclable and reusable Ru/Al 2 O 3 catalyst is prepared for hydrogen generation from the hydrolysis process of alkaline sodium borohydride (NaBH 4 ) solution. The hydrogen generation rate by the hydrolysis and methanolysis of alkaline NaBH 4 was explored as a function of NaOH concentration. Meantime, the byproducts derived from the spent alkaline NaBH 4 solution were characterized by X-ray diffraction (XRD), scanning electro microscope/energy dispersive spectrometer (SEM/EDS) and NMR (Nuclear Magnetic Resonance). The effect of NaOH concentration on the hydrogen generation from the hydrolysis of NaBH 4 significantly depends on the type of catalysts. With increasing NaOH concentration, the hydrogen generation rates decrease when using ruthenium (Ru) composite as a catalyst. The hydrogen generation rate of the methanolysis of NaBH 4 is significantly inhibited in the presence of NaOH as compared with the hydrolysis of NaBH 4 . The durability test of the Ru/Al 2 O 3 catalyst shows that the hydrogen generation rate decreases with recycling and reuse. The XRD and NMR analysis results show that the borate hydrate (NaBO 2 H 2 O) was derived from the hydrolysis of 20 wt% and 30 wt% NaBH 4 . -- Highlights: ► A recyclable Ru/Al 2 O 3 catalyst was synthesized for hydrogen generation. ► Ru/Al 2 O 3 significantly promotes the hydrogen generation rate from alkaline NaBH 4 solution. ► The prepared Ru/Al 2 O 3 catalyst can easily collect from the spent alkaline NaBH 4 solution.

Formation and characterization of samarium oxide generated from different precursors

International Nuclear Information System (INIS)

Hussein, G.A.M.; Buttrey, D.J.; DeSanto, P.; Abd-Elgaber, A.A.; Roshdy, Heba; Myhoub, Ali Y.Z.

2003-01-01

Sm(NO 3 ) 3 ·6H 2 O and Sm 2 (C 2 O 4 ) 3 ·10H 2 O were used as precursors for the formation of Sm 2 O 3 . Thermal processes involved in the decomposition course of both salts up to 800 deg. C in air were monitored by nonisothermal gravimetry and differential thermal analysis. Intermediates and final solid products were characterized by IR-spectroscopy, X-ray diffraction and scanning electron microscopy. The results showed that Sm(NO 3 ) 3 ·6H 2 O decomposes completely through nine endothermic mass loss processes. The dehydration occurs through the first four steps at 90, 125, 195, and 240 deg. C, culminating in a crystalline nitrate monohydrate, which subsequently decomposes to Sm(OH)(NO 3 ) 2 at 355 deg. C. The latter decomposes rapidly to form a stable and crystalline SmO(NO 3 ) at 460 deg. C, through nonstoichoimetric unstable intermediates. Finally Sm 2 O 3 forms at 520 deg. C. For the oxalate, the dehydration occurs in five steps: the anhydrous oxalate is thermally unstable and immediately decomposes to Sm 2 O 3 at 645 deg. C through two unstable intermediates. The crystalline oxide obtained from the nitrate contains larger pores than the oxide obtained from the oxalate, as indicated from scanning electron microscopy (SEM) results

Melanoides tuberculata (Mollusca: Thiaridae as an intermediate host of Centrocestus formosanus (Trematoda: Heterophyidae in Brazil Melanoides tuberculata (Mollusca: Thiaridae como hospedeiro intermediário de Centrocestus formosanus (Trematoda: Heterophyidae no Brasil

Directory of Open Access Journals (Sweden)

Hudson Alves Pinto

2010-08-01

Full Text Available Pleurolophocercous cercariae emerged from naturally infected Melanoides tuberculata from Minas Gerais State, Brazil, were used to perform experimental infection of laboratory-reared Poecilia reticulata. Mature metacercariae were obtained from the gills of fishes and force-fed to Mus musculus. The adult parasites which recovered from small intestines of mice were identified as Centrocestus formosanus. This is the first report of M. tuberculata as intermediate host of this heterophyid in Brazil.Cercárias do tipo pleurolofocerca emergidas de Melanoides tuberculata naturalmente infectados coletados na represa da Pampulha, Belo Horizonte, Minas Gerais, Brasil, foram utilizadas para a infecção experimental de Poecilia reticulata criados em laboratório. Metacercárias maduras foram obtidas nas brânquias dos peixes e administradas por via oral a Mus musculus. Parasitos adultos recuperados no intestino delgado dos camundongos foram identificados como Centrocestus formosanus. Este é o primeiro relato de M. tuberculata como hospedeiro intermediário deste parasito no Brasil.

Asymmetric Benzylic Allylic Alkylation Reaction of 3-Furfural Derivatives by Dearomatizative Dienamine Activation.

Science.gov (United States)

He, Xiao-Long; Zhao, Hui-Ru; Duan, Chuan-Qi; Han, Xu; Du, Wei; Chen, Ying-Chun

2018-04-20

The dearomatizative dienamine-type ortho-quinodimethane species are smoothly generated between 2-alkyl-3-furfurals and chiral secondary amine catalysts, which undergo asymmetric benzylic allylic alkylation reactions with 2-nitroallylic acetates efficiently. A spectrum of densely functionalized 3-furfural derivatives are delivered in moderate to high yields with good to excellent diastereo- and enantioselectivity (up to 98 % yield, >19:1 d.r., >99 % ee). The latent transformations allow the facile production of some enantioenriched architectures, such as 1,1,2,2-tetraarylethanes and triarylmethanes, which are not easily available from other protocols. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis of nanodiamond derivatives carrying amino functions and quantification by a modified Kaiser test

Directory of Open Access Journals (Sweden)

Gerald Jarre

2014-11-01

Full Text Available Nanodiamonds functionalized with different organic moieties carrying terminal amino groups have been synthesized. These include conjugates generated by Diels–Alder reactions of ortho-quinodimethanes formed in situ from pyrazine and 5,6-dihydrocyclobuta[d]pyrimidine derivatives. For the quantification of primary amino groups a modified photometric assay based on the Kaiser test has been developed and validated for different types of aminated nanodiamond. The results correspond well to values obtained by thermogravimetry. The method represents an alternative wet-chemical quantification method in cases where other techniques like elemental analysis fail due to unfavourable combustion behaviour of the analyte or other impediments.

Cobalt-free cathode material SrFe{sub 0.9}Nb{sub 0.1}O{sub 3-{delta}} for intermediate-temperature solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Zhou, Qingjun [State Key Laboratory of Superhard Materials and College of Physics, Jilin University, Changchun 130012 (China); College of Science, Civil Aviation University of China, Tianjin 300300 (China); Zhang, Leilei; He, Tianmin [State Key Laboratory of Superhard Materials and College of Physics, Jilin University, Changchun 130012 (China)

2010-02-15

A cobalt-free cubic perovskite oxide, SrFe{sub 0.9}Nb{sub 0.1}O{sub 3-{delta}} (SFN) was investigated as a cathode for intermediate-temperature solid oxide fuel cells (IT-SOFCs). XRD results showed that SFN cathode was chemically compatible with the electrolyte Sm{sub 0.2}Ce{sub 0.8}O{sub 1.9} (SDC) for temperatures up to 1050 C. The electrical conductivity of SFN sample reached 34-70 S cm{sup -1} in the commonly operated temperatures of IT-SOFCs (600-800 C). The area specific resistance was 0.138 {omega} cm{sup 2} for SFN cathode on SDC electrolyte at 750 C. A maximum power density of 407 mW cm{sup -2} was obtained at 800 C for single-cell with 300 {mu}m thick SDC electrolyte and SFN cathode. (author)

MCNP6 Fission Cross Section Calculations at Intermediate and High Energies

OpenAIRE

Mashnik, Stepan G.; Sierk, Arnold J.; Prael, Richard E.

2013-01-01

MCNP6 has been Validated and Verified (V&V) against intermediate- and high-energy fission cross-section experimental data. An error in the calculation of fission cross sections of 181Ta and a few nearby target nuclei by the CEM03.03 event generator in MCNP6 and a "bug: in the calculation of fission cross sections with the GENXS option of MCNP6 while using the LAQGSM03.03 event generator were detected during our V&V work. After fixing both problems, we find that MCNP6 using CEM03.03 and LAQGSM...

A structure and second-harmonic generation of crystals Li B3O5

International Nuclear Information System (INIS)

Burak, Ya.V.

1997-01-01

Projections of atoms of nonlinear optical crystals Li B 3 O 5 onto planes perpendicular to directions of the phase matching of type-1 and type-2 for second-harmonic generation (SHG) in a YAG:Nd laser are constructed. Analyses of the interdependence of orientations of (B 3 O 7 ) 5 -complexes and of the effectiveness of SHG are conducted

Miocene isotope zones, paleotemperatures, and carbon maxima events at intermediate water-depth, Site 593, Southwest Pacific

International Nuclear Information System (INIS)

Cooke, P.J.; Nelson, C.S.; Crundwell, M.P.

2008-01-01

Oxygen and carbon isotopic stratigraphies are presented from both benthic and planktic foraminifera for the late early Miocene to earliest Pliocene interval (c. 19-5 Ma) of intermediate water-depth DSDP Site 593 in the southern Tasman Sea. The benthic values are interpreted as recording Miocene Southern Component Intermediate Water, while the planktic species record the Miocene mode and surface water signals. Comparisons are made between temperate Site 593 and the intermediate-depth polar Site 747 in the southern Indian Ocean. Glacial Mi zones Mi1b-Mi6, representing extreme glacial events, are evident in both the Site 593 intermediate and surface water records. Miocene Southern Component Intermediate Water δ 18 O values are generally lighter than the Holocene equivalent (Antarctic Intermediate Water), indicating slightly warmer intermediate waters and/ or less global ice volume. The benthic-planktic gradient is interpreted as indicating a less stratified Tasman Sea during the Miocene. The benthic δ 13 C record contains most of the global carbon maxima (CM) events, CM1-7 (CM1-6 = the Monterey Excursion). Like global deep-water records, the Tasman Sea intermediate water δ 13 C values indicate that most CM events correspond with Mi glacials, including Mi4 at Site 593, not reported previously. Intermediate waters play an important role in propagating climatic changes from the polar regions to the tropics, and the Site 593 dataset provides a full water column record of the structure of Miocene intermediate to surface watermasses prior to the modern situation. (author). 132 refs., 8 figs., 4 tabs

Kinetics and intermediate phases in epitaxial growth of Fe{sub 3}O{sub 4} films from deposition and thermal reduction

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiaozhe [School of Science, MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, Xi' an Jiaotong University, Xi' an 710049, ShaanXi (China); Department of Physics and Astronomy, Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States); Yang, Sen; Yang, Zhimao, E-mail: zmyang@xjtu.edu.cn, E-mail: xiaoshan.xu@unl.edu [School of Science, MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, Xi' an Jiaotong University, Xi' an 710049, ShaanXi (China); Xu, Xiaoshan, E-mail: zmyang@xjtu.edu.cn, E-mail: xiaoshan.xu@unl.edu [Department of Physics and Astronomy, Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States)

2016-08-28

We have studied the kinetics of the transitions between the Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4} phases as thin epilayers (∼2.5 nm) on Al{sub 2}O{sub 3} (001) substrates using time-resolved reflection high energy electron diffraction. The different iron oxide phases were identified using a combination of in-situ and ex-situ characterizations. The transition from an α-Fe{sub 2}O{sub 3} (001) epilayer to a Fe{sub 3}O{sub 4} (111) epilayer through thermal reduction was found to be determined by the Fe-O bonding energy, resulting in a long time scale. The oxidation at high temperature converts a Fe{sub 3}O{sub 4} (111) epilayer to an α-Fe{sub 2}O{sub 3} (001) epilayer quickly; at low temperature, a γ-Fe{sub 2}O{sub 3} (111) epilayer was slowly generated instead. By repeating the deposition/thermal reduction processes, a thicker Fe{sub 3}O{sub 4} (111) film was obtained, which exhibit high crystallinity and moderate magnetic coercivity.

Theoretical Kinetic Study of the Formic Acid Catalyzed Criegee Intermediate Isomerization: Multistructural Anharmonicity and Atmospheric Implications

KAUST Repository

Monge Palacios, Manuel

2018-01-29

We performed a theoretical study on the double hydrogen shift isomerization reaction of a six carbon atom Criegee intermediate (C6-CI), catalyzed by formic acid (HCOOH), to produce vinylhydroperoxide (VHP), C6-CI+HCOOH→VHP+HCOOH. This Criegee intermediate can serve as a surrogate for larger CIs derived from important volatile organic compounds like monoterpenes, whose reactivity is not well understood and are difficult to handle computationally. The reactant HCOOH exerts a pronounced catalytic effect on the studied reaction by lowering the barrier height, but the kinetic enhancement is hindered by the multistructural anharmonicity. First, the rigid ring-structure adopted by the saddle point to facilitate simultaneous transfer of two atoms does not allow formation of as many conformers as those formed by the reactant C6-CI. And second, the flexible carbon chain of C6-CI facilitates the formation of stabilizing intramolecular C–H···O hydrogen bonds; this stabilizing effect is less pronounced in the saddle point structure due to its tightness and steric effects. Thus, the contribution of the reactant C6-CI conformers to the multistructural partition function is larger than that of the saddle point conformers. The resulting low multistructural anharmonicity factor partially cancels out the catalytic effect of the carboxylic acid, yielding in a moderately large rate coefficient, k(298 K) = 4.9·10-13 cm3 molecule-1 s-1. We show that carboxylic acids may promote the conversion of stabilized Criegee intermediates into vinylhydroperoxides in the atmosphere, which generates OH radicals and leads to secondary organic aerosol, thereby affecting the oxidative capacity of the atmosphere and ultimately the climate.

Detection and Identification of the Keto-Hydroperoxide (HOOCH 2 OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

KAUST Repository

Moshammer, Kai; Jasper, Ahren W.; Popolan-Vaida, Denisia M.; Lucassen, Arnas; Dié vart, Pascal; Selim, Hatem; Eskola, Arkke J.; Taatjes, Craig A.; Leone, Stephen R.; Sarathy, Mani; Ju, Yiguang; Dagaut, Philippe; Kohse-Hö inghaus, Katharina; Hansen, Nils

2015-01-01

hydroperoxide), HC(O)OH (formic acid), and H2O2 (hydrogen peroxide). We show that the theoretical characterization of multiple conformeric structures of some intermediates is required when interpreting the experimentally observed ionization thresholds, and a

Information acquisition and financial intermediation

OpenAIRE

Boyarchenko, Nina

2012-01-01

This paper considers the problem of information acquisition in an intermediated market, where the specialists have access to superior technology for acquiring information. These informational advantages of specialists relative to households lead to disagreement between the two groups, changing the shape of the intermediation-constrained region of the economy and increasing the frequency of periods when the intermediation constraint binds. Acquiring the additional information is, however, cost...

Avaliação das propriedades do Ba0,50Sr0,50Co0,80Fe0,20O3-d para células a combustível de óxido sólido de temperatura intermediária obtido pelo método citratos-EDTA Evaluation of the properties of Ba0,50Sr0.50Co0.80Fe0.20O3-d obtained by the citrate-EDTA method for intermediate temperature solid oxide fuel cell

Directory of Open Access Journals (Sweden)

E. Bonturim

2013-03-01

Full Text Available Ba0,50Sr0,50Co0,80Fe0,20O3-d (BSCF apresenta propriedades físicas, químicas e microestruturais adequadas para compor o cátodo de uma célula a combustível de óxido sólido de temperatura intermediária (ITSOFC. Este trabalho tem por objetivo a síntese e a caracterização do BSCF obtido pelo método dos citrados-EDTA. Os resultados obtidos por difração de raios X (DRX indicaram fases secundárias para o material calcinado a 700 e 800 ºC e fase única com estrutura cristalina do tipo perovskita para 900 ºC. As micrografias obtidas por microscopia eletrônica de varredura dos particulados evidenciou a formação de aglomerados de tamanho Ba0.50Sr0.50Co0.80Fe0.20O3-d (BSCF presents physical, chemical and microstructural properties suitable to form the cathode of Intermediate Temperature Solid Oxide Fuel Cell (ITSOFC. This work aims the synthesis and characterization of BSCF, obtained by the citrate-EDTA method. The X-ray diffraction results indicate secondary phases for the material calcined at 700 and 800 °C and single phase with perovskite crystalline structure at 900 °C. The SEM-FEG particles micrographs show the formation of < 20 µm clusters. The dilatometric analysis of pellets indicates the sintering temperature at ~ 1050 °C. XRD results of the sintered samples show perovskite single phase. The SEM micrographs confirmed the formation of higher porosity in the samples sintered at 1000 °C/1 h using powders calcined at 900 °C.

The application of Cu/SiO2 catalytic system in chemical mechanical planarization based on the stability of SiO2 sol

International Nuclear Information System (INIS)

Li Yan; Liu Yuling; Wang Aochen; Yang Zhixin; Sun Mingbin; Cheng Chuan; Zhang Yufeng; Zhang Nannan

2014-01-01

There is a lot of hydroxyl on the surface of nano SiO 2 sol used as an abrasive in the chemical mechanical planarization (CMP) process, and the chemical reaction activity of the hydroxyl is very strong due to the nano effect. In addition to providing a mechanical polishing effect, SiO 2 sol is also directly involved in the chemical reaction. The stability of SiO 2 sol was characterized through particle size distribution, zeta potential, viscosity, surface charge and other parameters in order to ensure that the chemical reaction rate in the CMP process, and the surface state of the copper film after CMP was not affected by the SiO 2 sol. Polarization curves and corrosion potential of different concentrations of SiO 2 sol showed that trace SiO 2 sol can effectively weaken the passivation film thickness. In other words, SiO 2 sol accelerated the decomposition rate of passive film. It was confirmed that the SiO 2 sol as reactant had been involved in the CMP process of copper film as reactant by the effect of trace SiO 2 sol on the removal rate of copper film in the CMP process under different conditions. In the CMP process, a small amount of SiO 2 sol can drastically alter the chemical reaction rate of the copper film, therefore, the possibility that Cu/SiO 2 as a catalytic system catalytically accelerated the chemical reaction in the CMP process was proposed. According to the van't Hoff isotherm formula and the characteristics of a catalyst which only changes the chemical reaction rate with out changing the total reaction standard Gibbs free energy, factors affecting the Cu/SiO 2 catalytic reaction were derived from the decomposition rate of Cu (OH) 2 and the pH value of the system, and then it was concluded that the CuSiO 3 as intermediates of Cu/SiO 2 catalytic reaction accelerated the chemical reaction rate in the CMP process. It was confirmed that the Cu/SiO 2 catalytic system generated the intermediate of the catalytic reaction (CuSiO 3 ) in the CMP process

Polarization-sensitive second harmonic generation microscopy of α-quartz like GeO2 (α-GeO2) polycrystal

International Nuclear Information System (INIS)

Kawamura, Ibuki; Imakita, Kenji; Kitao, Akihiro; Fujii, Minoru

2014-01-01

The usefulness of polarized second harmonic generation (SHG) microscopy to determine crystallographic orientations of domains in polycrystalline films was demonstrated. Orientation of α-quartz like GeO 2 (α-GeO 2 ) domains in polycrystalline films were investigated by using polarized SHG and Raman microscopy. It was found that the SHG intensity of a α-GeO 2 polycrystalline film depends strongly on measurement points and excitation and detection polarizations, while the Raman intensity was almost uniform in the whole mapping area. Analyses of the SHG mappings in different polarization conditions allowed us to determine not only the size and shape of crystalline domains, but also the crystallographic orientations. (paper)

Kinetic and mechanistic studies of reactive intermediates in photochemical and transition metal-assisted oxidation, decarboxylation and alkyl transfer reactions

Energy Technology Data Exchange (ETDEWEB)

Carraher, Jack McCaslin [Iowa State Univ., Ames, IA (United States)

2014-01-01

Reactive species like high-valent metal-oxo complexes and carbon and oxygen centered radicals are important intermediates in enzymatic systems, atmospheric chemistry, and industrial processes. Understanding the pathways by which these intermediates form, their relative reactivity, and their fate after reactions is of the utmost importance. Herein are described the mechanistic detail for the generation of several reactive intermediates, synthesis of precursors, characterization of precursors, and methods to direct the chemistry to more desirable outcomes yielding ‘greener’ sources of commodity chemicals and fuels.

Enhancing and inhibiting effects of aromatic compounds on luminol-dimethylsulfoxide-OH(-) chemiluminescence and determination of intermediates in oxidative hair dyes by HPLC with chemiluminescence detection.

Science.gov (United States)

Zhou, Jian; Xu, Hong; Wan, Guo-Hui; Duan, Chun-Feng; Cui, Hua

2004-10-08

The effect of 36 aromatic compounds on the luminol-dimethylsulfoxide-OH(-) chemiluminescence (CL) was systematically studied. It was found that dihydroxybenzenes, and ortho- and para-substituted aminophenols and phenylenediamines inhibited the CL and phenols with three or more than three hydroxyls except phloroglucin tended to enhance the CL. The CL inhibition and enhancement was proposed to be dependent on whether superoxide anion radical (O(2)(-)) was competitively consumed by compounds in the CL system. Trihydroxybenzenes were capable of generating superoxide anion radical, leading to the CL enhancement, whereas dihydroxybenzenes were superoxide anion radical scavenger, causing the CL inhibition. Based on the inhibited CL, a novel method for the simultaneous determination of p-phenylenediamine, o-phenylenediamine, p-aminophenol, o-aminophenol, resorcinol and hydroquinone by high-performance liquid chromatography coupled with chemiluminescence detection was developed. The method has been successfully applied to determine intermediates in oxidative hair dyes and wastewater of shampooing after hair dyed.

Replicative intermediates in UV-irradiated Simian virus 40

International Nuclear Information System (INIS)

Clark, J.M.; Hanawalt, P.C.

1984-01-01

The authors have used Simian virus 40 (SV40) as a probe to study the replication of UV-damaged DNA in mammalian cells. Viral DNA replication in infected monkey kidney cells was synchronized by incubating a mutant of SV40 (tsA58) temperature-sensitive for the initiation of DNA synthesis at the restrictive temperature and then adding aphidicolin to temporarily inhibit DNA synthesis at the permissive temperature while permitting pre-replicative events to occur. After removal of the drug, the infected cells were irradiated at 100 J/m 2 (254 nm) to produce 6-7 pyrimidine dimers per SV40 genome, and returned to the restrictive temperature to prevent reinitiation of replication from the SV40 origin. Replicative intermediates (RI) were labeled with [ 3 H]thymidine. The size distribution of daughter DNA strands in RI isolated shortly after irradiation was skewed towards lengths less than the interdimer spacing in parental DNA; this bias persisted for at least 1 h after irradiation, but disappeared within 3 h by which time the size of the newly-synthesized DNA exceeded the interdimer distance. Evidence was obtained for the generation at late times after irradiation, of Form I molecules in which the daughter DNA strand contain dimers. Thus DNA strand exchange as well as trans-dimer synthesis may be involved in the generation of supercoiled Form I DNA from 0V-damaged SV40 replicative intermediates. (Auth.)

Radioresistance of intermediate TCR cells and their localization in the body of mice revealed by irradiation

International Nuclear Information System (INIS)

Kimura, Motohiko; Watanabe, Hisami; Ohtsuka, Kazuo; Iiai, Tsuneo; Tsuchida, Masanori; Sato, Shotaro; Abo, Toru

1993-01-01

Extrathymic generation of T cells in the liver and in the intestine was recently demonstrated. We investigated herein whether such T cells, especially those in the liver, are present in other organs of mice. This investigation is possible employing our recently introduced method with which even a minor proportion of extrathymic, intermediate T-cell receptor (TCR) cells in organs other than the liver can be identified. Intermediate TCR cells expressed higher levels of IL-2Rβ and lymphocyte function-associated antigen-1 (LFA-1) than bright TCR cells (i.e., T cells of thymic origin) as revealed by two-color staining. Although intermediate TCR cells were present at a small proportion in the spleen and thymus, they predominated in these organs after irradiation (9 Gy) and bone marrow reconstitution, or after low dose irradiation (6 Gy). This was due to that intermediate TCR cells were relatively radioresistant, whereas bright TCR cells were radiosensitive. Microscopic observation and immunochemical staining showed that intermediate TCR cells in the spleen localized in the red pulp and those in the thymus localized in the medulla. These intermediate TCR cells displayed a large light scatter, similar to such cells in the liver. The present results suggest that intermediate TCR cells may proliferate at multiple sites in the body. (author)

Discourses and Models of Intermediality

OpenAIRE

Schröter, Jens

2011-01-01

In his article "Discourses and Models of Intermediality" Jens Schröter discusses the question as to what relations do different discourses pose between different "media." Schröter identifies four models of discourse: 1) synthetic intermediality: a "fusion" of different media to super-media, a model with roots in the Wagnerian concept of Gesamtkunstwerk with political connotations, 2) formal (or transmedial) intermediality: a concept based on formal structures not "specific" to one medium but ...

A high power ZnO thin film piezoelectric generator

Science.gov (United States)

Qin, Weiwei; Li, Tao; Li, Yutong; Qiu, Junwen; Ma, Xianjun; Chen, Xiaoqiang; Hu, Xuefeng; Zhang, Wei

2016-02-01

A highly efficient and large area piezoelectric ZnO thin film nanogenerator (NG) was fabricated. The ZnO thin film was deposited onto a Si substrate by pulsed laser ablation at a substrate temperature of 500 °C. The deposited ZnO film exhibited a preferred c-axis orientation and a high piezoelectric value of 49.7 pm/V characterized using Piezoelectric Force Microscopy (PFM). Thin films of ZnO were patterned into rectangular power sources with dimensions of 0.5 × 0.5 cm2 with metallic top and bottom electrodes constructed via conventional semiconductor lithographic patterning processes. The NG units were subjected to periodic bending/unbending motions produced by mechanical impingement at a fixed frequency of 100 Hz at a pressure of 0.4 kg/cm2. The output electrical voltage, current density, and power density generated by one ZnO NG were recorded. Values of ∼95 mV, 35 μA cm-2 and 5.1 mW cm-2 were recorded. The level of power density is typical to that produced by a PZT NG on a flexible substrate. Higher energy NG sources can be easily created by adding more power units either in parallel or in series. The thin film ZnO NG technique is highly adaptable with current semiconductor processes, and as such, is easily integrated with signal collecting circuits that are compatible with mass production. A typical application would be using the power harvested from irregular human foot motions to either to operate blue LEDs directly or to drive a sensor network node in mille-power level without any external electric source and circuits.

Fabrication of Ce/N co-doped TiO_2/diatomite granule catalyst and its improved visible-light-driven photoactivity

International Nuclear Information System (INIS)

Chen, Yan; Liu, Kuiren

2017-01-01

Highlights: • Ce/N co-doped TiO_2/diatomite granule (CNTD-G) was prepared via sol-gel method. • The optimal doping amount of Ce was determined. • The effects of impurity ions on photodegradation process were studied. • The intermediates generated during photodegradation process were deduced. • The mechanism of photodegradation process was proposed. - Abstract: Eliminating antibiotic remnants in aquatic environment has become one of the hottest topics among current research works. Thus, we prepared Ce, N co-doped TiO_2/diatomite granule (CNTD-G) catalyst to provide a new method. As one typical antibiotics, oxytetracycline (OTC) was selected as the target pollutant to be degradated under visible light irradiation. The carrier diatomite helped the spread of TiO_2 nanoparticles onto its surface, and inhibited their agglomeration. The synergy of Ce and N dopants highly improved the visible-light-driven photoactivity of TiO_2. The optimal doping amount and degradation conditions were determined. Besides, the effects of impurity ions were also investigated, including cations: Ca"2"+, Mg"2"+; or anions: NO_3"−, SO_4"2"− and PO_4"3"−. The intermediates generated during degradation process were studied, and the mechanism of the photodegradation process was proposed. CNTD-G could be easily collected from the reactor, and showed excellent recyclability.

Sonochemical assisted synthesis of SrFe12O19 nanoparticles.

Science.gov (United States)

Palomino, R L; Bolarín Miró, A M; Tenorio, F N; Sánchez De Jesús, F; Cortés Escobedo, C A; Ammar, S

2016-03-01

We present the synthesis of M-type strontium hexaferrite by sonochemistry and annealing. The effects of the sonication time and thermal energy on the crystal structure and magnetic properties of the obtained powders are presented. Strontium hexagonal ferrite (SrFe12O19) was successfully prepared by the ultrasonic cavitation (sonochemistry) of a complexed polyol solution of metallic acetates and diethylene glycol. The obtained materials were subsequently annealed at temperatures from 300 to 900 °C. X-ray diffraction analysis shows that the sonochemical process yields an amorphous phase containing Fe(3+), Fe(2+) and Sr(2+) ions. This amorphous phase transforms into an intermediate phase of maghemite (γ-Fe2O3) at 300 °C. At 500 °C, the intermediate species is converted to hematite (α-Fe2O3) by a topotactic transition. The final product of strontium hexaferrite (SrFe12O19) is generated at 800 °C. The obtained strontium hexaferrite shows a magnetization of 62.3 emu/g, which is consistent with pure hexaferrite obtained by other methods, and a coercivity of 6.25 kOe, which is higher than expected for this hexaferrite. The powder morphology is composed of aggregates of rounded particles with an average particle size of 60 nm. Copyright © 2015 Elsevier B.V. All rights reserved.

UV light induced photodegradation of malachite green on TiO2 nanoparticles

International Nuclear Information System (INIS)

Chen, C.C.; Lu, C.S.; Chung, Y.C.; Jan, J.L.

2007-01-01

The photodegradation of malachite green (MG), a cationic triphenylmethane dye, is examined both under different pH values and amounts of TiO 2 . After 15 W UV-365 nm irradiation for 4 h, ca. 99.9% of MG was degraded with addition of 0.5 g L -1 TiO 2 to solutions containing 50 mg L -1 of the MG dye. The HPLC-PDA-ESI-MS technique was used to obtain a better understanding on the mechanistic details of this TiO 2 -assisted photodegradation of the MG dye with UV irradiation. Five intermediates of the process were separated, identified, and characterized for the first time. The results indicated that the N-de-methylation degradation of MG dye took place in a stepwise manner to yield mono-, di-, tri-, and tetra-N-de-methylated MG species generated during the processes. Under acidic conditions, the results indicated that the photodegradation mechanism is favorable to cleavage of the whole conjugated chromophore structure of the MG dye. Under basic conditions, the results showed that the photodegradation mechanism is favorable to a formation of a series of N-de-methylated intermediates of the MG dye

Organic Metals

DEFF Research Database (Denmark)

Andersen, Jan Rud; Craven, R. A.; Weidenborner, J. E.

1977-01-01

Replacement of the sulphur atoms in the charge transfer salt tetrathiafulvalene (TTF)–2,5-diethyltetracyano-p-quinodimethane (DETCNQ) with selenium yields the isostructural and better conducting analogue tetraselenafulvalene (TSeF)–DETCNQ, in which the Peierls transition temperature is decreased....

Role of Intermediate Filaments in Vesicular Traffic

Directory of Open Access Journals (Sweden)

Azzurra Margiotta

2016-04-01

Full Text Available Intermediate filaments are an important component of the cellular cytoskeleton. The first established role attributed to intermediate filaments was the mechanical support to cells. However, it is now clear that intermediate filaments have many different roles affecting a variety of other biological functions, such as the organization of microtubules and microfilaments, the regulation of nuclear structure and activity, the control of cell cycle and the regulation of signal transduction pathways. Furthermore, a number of intermediate filament proteins have been involved in the acquisition of tumorigenic properties. Over the last years, a strong involvement of intermediate filament proteins in the regulation of several aspects of intracellular trafficking has strongly emerged. Here, we review the functions of intermediate filaments proteins focusing mainly on the recent knowledge gained from the discovery that intermediate filaments associate with key proteins of the vesicular membrane transport machinery. In particular, we analyze the current understanding of the contribution of intermediate filaments to the endocytic pathway.

Intermediality: Bridge to Critical Media Literacy.

Science.gov (United States)

Pailliotet, Ann Watts; Semali, Ladislaus; Rodenberg, Rita K.; Giles, Jackie K.; Macaul, Sherry L.

2000-01-01

Defines "intermediality" as the ability to critically read and write with and across varied symbol systems. Relates it to critical media literacy. Offers rationales for teaching critical media literacy in general, and intermedial instruction in particular. Identifies seven guiding intermedial elements: theory, texts, processes, contexts,…

Recent Intermediate Depth Earthquakes in El Salvador, Central Mexico, Cascadia and South-West Japan

Science.gov (United States)

Lemoine, A.; Gardi, A.; Gutscher, M.; Madariaga, R.

2001-12-01

We studied occurence and source parameters of several recent intermediate depth earthquakes. We concentrated on the Mw=7.7 salvadorian earthquake which took place on January 13, 2001. It was a good example of the high seismic risk associated to such kind of events which occur closer to the coast than the interplate thrust events. The Salvadorian earthquake was an intermediate depth downdip extensional event which occured inside the downgoing Cocos plate, next to the downdip flexure where the dip increases sharply before the slab sinks more steeply. This location corresponds closely to the position of the Mw=5.7 1996 and Mw=7.3 1982 downdip extensional events. Several recent intermediate depth earthquakes occured in subduction zones exhibiting a ``flat slab'' geometry with three distinct flexural bends where flexural stress may be enhanced. The Mw=6.7 Geiyo event showed a downdip extensional mechanism with N-S striking nodal planes. This trend was highly oblique to the trench (Nankai Trough), yet consistent with westward steepening at the SW lateral termination of the SW Japan flat slab. The Mw=6.8 Olympia earthquake in the Cascadia subduction zone occured at the downdip termination of the Juan de Fuca slab, where plate dip increases from about 5o to over 30o. The N-S orientation of the focal planes, parallel to the trench indicated downdip extension. The location at the downdip flexure corresponds closely to the estimated positions of the 1949 M7.1 Olympia and 1965 M6.5 Seattle-Tacoma events. Between 1994 and 1999, in Central Mexico, an unusually high intermediate depth seismicity occured where several authors proposed a flat geometry for the Cocos plate. Seven events of magnitude between Mw=5.9 and Mw=7.1 occured. Three of them were downdip compressional and four where down-dip extensional. We can explain these earthquakes by flexural stresses at down-dip and lateral terminations of the supposed flat segment. Even if intermediate depth earthquakes occurence could

Self-generation of magnetic fields

International Nuclear Information System (INIS)

Dolan, T.J.

2000-01-01

The stars generate self-magnetic fields on large spatial scales and long time scales,and laser-produced plasmas generate intense self-magnetic fields on very short spatial and time scales. Two questions are posed : (1) Could a self-magnetic field be generated in a laboratory plasma with intermediate spatial and time scales? (2) If a self-magnetic field were generated,would it evolve towards a minimum energy state? If the answers turned out to be affirmative,then self-magnetic fields could possibly have interesting applications

Synthesis and nonlinear optical property of polycrystalline MnTeMoO_6

International Nuclear Information System (INIS)

Jin, Chengguo

2017-01-01

Polycrystalline MnTeMoO_6 powder has been synthesized by a new approach that MnO_2 is used as the manganese source. The transformation mechanism of manganese ions in the new approach has been discussed. The nonlinear optical property of polycrystalline MnTeMoO_6 has been investigated, and compared with single-crystalline samples. The transformation Mn"4"+ → Mn"2"+ may be formed directly without stable intermediates, and TeO_2 may serve as catalyst. The SHG response of polycrystalline MnTeMoO_6 powder is worse than that of single-crystalline powder in the same particle size distribution as its pseudo-size. The results indicate that it should pay special attention with the pseudo-size of polycrystalline powder when the potential nonlinear optical materials are screened by powder second harmonic generation measurements. (orig.)

Degradation of acetic acid with sulfate radical generated by persulfate ions photolysis.

Science.gov (United States)

Criquet, Justine; Leitner, Nathalie Karpel Vel

2009-09-01

The photolysis of S(2)O(8)(2-) was studied for the removal of acetic acid in aqueous solution and compared with the H(2)O(2)/UV system. The SO(4)(-) radicals generated from the UV irradiation of S(2)O(8)(2-) ions yield a greater mineralization of acetic acid than the ()OH radicals. Acetic acid is oxidized by SO(4)(-) radicals without significant formation of intermediate by-products. Increasing system pH results in the formation of ()OH radicals from SO(4)(-) radicals. Maximum acetic acid degradation occurred at pH 5. The results suggest that above this pH, competitive reactions with the carbon mineralized inhibit the reaction of the solute with SO(4)(-) and also ()OH radicals. Scavenging effects of two naturally occurring ions were tested; in contrast to HCO(3)(-) ions, the presence of Cl(-) ions enhances the efficiency of the S(2)O(8)(2-)/UV process towards the acetate removal. It is attributed to the formation of the Cl() radical and its great reactivity towards acetate.

Automatic generation of absolute myocardial blood flow images using [15O]H2O and a clinical PET/CT scanner.

Science.gov (United States)

Harms, Hendrik J; Knaapen, Paul; de Haan, Stefan; Halbmeijer, Rick; Lammertsma, Adriaan A; Lubberink, Mark

2011-05-01

Parametric imaging of absolute myocardial blood flow (MBF) using [(15)O]H(2)O enables determination of MBF with high spatial resolution. The aim of this study was to develop a method for generating reproducible, high-quality and quantitative parametric MBF images with minimal user intervention. Nineteen patients referred for evaluation of MBF underwent rest and adenosine stress [(15)O]H(2)O positron emission tomography (PET) scans. Ascending aorta and right ventricular (RV) cavity volumes of interest (VOIs) were used as input functions. Implementation of a basis function method (BFM) of the single-tissue model with an additional correction for RV spillover was used to generate parametric images. The average segmental MBF derived from parametric images was compared with MBF obtained using nonlinear least-squares regression (NLR) of VOI data. Four segmentation algorithms were evaluated for automatic extraction of input functions. Segmental MBF obtained using these input functions was compared with MBF obtained using manually defined input functions. The average parametric MBF showed a high agreement with NLR-derived MBF [intraclass correlation coefficient (ICC) = 0.984]. For each segmentation algorithm there was at least one implementation that yielded high agreement (ICC > 0.9) with manually obtained input functions, although MBF calculated using each algorithm was at least 10% higher. Cluster analysis with six clusters yielded the highest agreement (ICC = 0.977), together with good segmentation reproducibility (coefficient of variation of MBF generated automatically using cluster analysis and a implementation of a BFM of the single-tissue model with additional RV spillover correction.

Broadband Microwave Study of Reaction Intermediates and Products Through the Pyrolysis of Oxygenated Biofuels

Science.gov (United States)

Abeysekera, Chamara; Hernandez-Castillo, Alicia O.; Fritz, Sean; Zwier, Timothy S.

2017-06-01

The rapidly growing list of potential plant-derived biofuels creates a challenge for the scientific community to provide a molecular-scale understanding of their combustion. Development of accurate combustion models rests on a foundation of experimental data on the kinetics and product branching ratios of their individual reaction steps. Therefore, new spectroscopic tools are necessary to selectively detect and characterize fuel components and reactive intermediates generated by pyrolysis and combustion. Substituted furans, including furanic ethers, are considered second-generation biofuel candidates. Following the work of the Ellison group, an 8-18 GHz microwave study was carried out on the unimolecular and bimolecular decomposition of the smallest furanic ether, 2-methoxy furan, and it`s pyrolysis intermediate, the 2-furanyloxy radical, formed in a high-temperature pyrolysis source coupled to a supersonic expansion. Details of the experimental setup and analysis of the spectrum of the radical will be discussed.

Fabrication of Ce/N co-doped TiO{sub 2}/diatomite granule catalyst and its improved visible-light-driven photoactivity

Energy Technology Data Exchange (ETDEWEB)

Chen, Yan; Liu, Kuiren, E-mail: liukr@smm.neu.edu.cn

2017-02-15

Highlights: • Ce/N co-doped TiO{sub 2}/diatomite granule (CNTD-G) was prepared via sol-gel method. • The optimal doping amount of Ce was determined. • The effects of impurity ions on photodegradation process were studied. • The intermediates generated during photodegradation process were deduced. • The mechanism of photodegradation process was proposed. - Abstract: Eliminating antibiotic remnants in aquatic environment has become one of the hottest topics among current research works. Thus, we prepared Ce, N co-doped TiO{sub 2}/diatomite granule (CNTD-G) catalyst to provide a new method. As one typical antibiotics, oxytetracycline (OTC) was selected as the target pollutant to be degradated under visible light irradiation. The carrier diatomite helped the spread of TiO{sub 2} nanoparticles onto its surface, and inhibited their agglomeration. The synergy of Ce and N dopants highly improved the visible-light-driven photoactivity of TiO{sub 2}. The optimal doping amount and degradation conditions were determined. Besides, the effects of impurity ions were also investigated, including cations: Ca{sup 2+}, Mg{sup 2+}; or anions: NO{sub 3}{sup −}, SO{sub 4}{sup 2−} and PO{sub 4}{sup 3−}. The intermediates generated during degradation process were studied, and the mechanism of the photodegradation process was proposed. CNTD-G could be easily collected from the reactor, and showed excellent recyclability.

Análise da geração e distribuição da riqueza originada pelas empresas que compõem o IBOVESPA por meio da DVA = Analysis of the generation and distribution of wealth generated by companies that make up the IBOVESPA through DVA

Directory of Open Access Journals (Sweden)

Fábio Klöppel

2013-03-01

Full Text Available A Demonstração do Valor Adicionado - DVA - tornou-se obrigatória com a Lei 11.638/07 e ficou conhecida por apresentar, no mesmo documento, informações de natureza econômica: geração de riqueza; e social: distribuição de riqueza. Com isso, a presente pesquisa tem por objetivo verificar como ocorre a geração e a distribuição do valor adicionado. A amostra é constituída de 36 empresas que compõem o IBOVESPA, representando os setores de Construção e Transporte, Financeiros e Outros, Materiais Básicos, Telecomunicações e Utilidade Pública. Para isto, foram analisadas as DVAs publicadas nos exercícios de 2007 a 2010. A pesquisa caracteriza-se como descritiva, documental, com abordagem quanti e qualitativa, realizada com o auxílio da técnica de análise de conteúdo. Os resultados demonstram, na média do período, que o setor Financeiro foi o que mais gerou riqueza (92,6% com a atividade fim e o setor de Construção e Transportes o que menos gerou (81,3%. Em relação à destinação da riqueza gerada no período, mais da metade dos setores destinaram a maior parte da riqueza para o Governo, com destaque para o setor de Telecomunicações (60,1%. No geral, constata-se que os setores destinaram 38,5% da riqueza para remuneração do Governo; 24,8% para a Remuneração de Capital Próprio; 19,5% para Capital de Terceiros e 17,2% para remuneração dos Colaboradores.The Value Added Statement - VAS - became mandatory with the Law 11.638/07 and it has become known to show, on the same statement, information of economic nature: the generation of wealth; as well as social naturel: the distribution of wealth. Thus, this research aims at verifying how the generation and distribution of added value occurs. The sample consists of 36 companies that comprise the Bovespa Index, representing the Construction, Transportation, Financial, and other sectors, as well as Basic Materials, Telecommunications and Utilities. For this, the VAS�

Generation of Free Oxygen Atoms O(³P) in Solution by Photolysis of 4-Benzoylpyridine N-Oxide

Energy Technology Data Exchange (ETDEWEB)

Carraher, Jack M. [Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Bakac, Andreja [Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

2014-08-04

Laser flash photolysis of 4-benzoylpyridine N-oxide (BPyO) at 308 nm in aqueous solutions generates a triplet excited state ³BPyO* that absorbs strongly in the visible, λ_max 490 and 380 nm. ³BPyO* decays with the rate law k_decay/s^-1 = (3.3 ± 0.9) × 10⁴ + (1.5 ± 0.2) × 10⁹ [BPyO] to generate a mixture of isomeric hydroxylated benzoylpyridines, BPy(OH), in addition to small amounts of oxygen atoms, O(³P). Molecular oxygen quenches ³BPyO*, k_Q = 1.4 × 10⁹ M^-1 s^-1, but the yields of O(³P) increase in O₂-saturated solutions to 36%. Other triplet quenchers have a similar effect, which rules out the observed ³BPyO* as a source of O(³P). It is concluded that O(³P) is produced from either ¹BPyO* or a short-lived, unobserved, higher energy triplet generated directly from ¹BPyO*. ³BPyO* is reduced by Fe²⁺ and by ABTS^2- to the radical anion BPyO^.- which exhibits a maximum at 510 nm, ε = 2200 M^-1 cm^-1. The anion engages in back electron transfer with ABTS^.- with k = 1.7 × 109 M^-1 s^-1. The same species can be generated by reducing ground state BPyO with ^.C(CH₃)₂OH. The photochemistry of BPyO in acetonitrile is similar to that in aqueous solutions.

Electron-atom scattering at intermediate energies

International Nuclear Information System (INIS)

Kingston, A.E.; Walters, H.R.J.

1982-01-01

The problems of intermediate energy scattering are approached from the low and high energy ends. At low intermediate energies difficulties associated with the use of pseudostates and correlation terms are discussed, special consideration being given to nonphysical pseudoresonances. Perturbation methods appropriate to high intermediate energies are described and attempts to extend these high energy approximations down to low intermediate energies are studied. It is shown how the importance of electron exchange effects develops with decreasing energy. The problem of assessing the 'effective completeness' of pseudostate sets at intermediate energies is mentioned and an instructive analysis of a 2p pseudostate approximation to elastic e - -H scattering is given. It is suggested that at low energies the Pauli Exclusion Principle can act to hide short range defects in pseudostate approximations. (author)

The intermediate state in Patd

African Journals Online (AJOL)

) Jesus had assumed. (concerning the 'intermediate state') as existing, anything which does not exist. Three basic things about the intermediate state emerge from the parable: (a) Jesus recognizes that at the moment of death, in ipso articulo.

Higher order antibunching in intermediate states

International Nuclear Information System (INIS)

Verma, Amit; Sharma, Navneet K.; Pathak, Anirban

2008-01-01

Since the introduction of binomial state as an intermediate state, different intermediate states have been proposed. Different nonclassical effects have also been reported in these intermediate states. But till now higher order antibunching is predicted in only one type of intermediate state, which is known as shadowed negative binomial state. Recently we have shown that the higher order antibunching is not a rare phenomenon [P. Gupta, P. Pandey, A. Pathak, J. Phys. B 39 (2006) 1137]. To establish our earlier claim further, here we have shown that the higher order antibunching can be seen in different intermediate states, such as binomial state, reciprocal binomial state, hypergeometric state, generalized binomial state, negative binomial state and photon added coherent state. We have studied the possibility of observing the higher order subpoissonian photon statistics in different limits of intermediate states. The effects of different control parameters on the depth of non classicality have also been studied in this connection and it has been shown that the depth of nonclassicality can be tuned by controlling various physical parameters

Quantum Chemical Investigation of the Transition States and Intermediates for the Reaction of the Nitrosonium Ion with the Pentaammineazidocobalt(III) Ion.

Science.gov (United States)

Rotzinger, François P

2016-12-19

The water exchange reaction on Co(NH 3 ) 5 OH 2 3+ was investigated with various density functionals and basis sets. A Gibbs activation energy (ΔG ⧧ ) agreeing with experiment was obtained with the long-range-corrected functionals ωB97X-D3 and LC-BOP-LRD, SMD hydration, and modified Karlsruhe def2-TZVP basis sets. This computational technique was then applied to the reaction of NO + with Co(NH 3 ) 5 N 3 2+ . All of the possible pathways were investigated, NO + attack at the terminal N of Co(NH 3 ) 5 N 3 2+ via the E and the Z isomers of the transition states, and NO + attack at the bound N of azide, also via both isomers. The most favorable pathway proceeds via the attack at the bound N via the Z isomer. This leads to the intermediate with an oxatetrazole ligand bound to Co(III) at the N in the 3-position, Co(NH 3 ) 5 (cycl-N 4 O) 3+ , which undergoes N 2 elimination to yield the Co(NH 3 ) 5 N 2 O 3+ intermediate. The subsequent substitution of N 2 O by water follows the I d mechanism with retention of the configuration. No evidence for the existence of the square-pyramidal pentacoordinated intermediate Co(NH 3 ) 5 3+ was found. All of the investigated intermediates, Co(NH 3 ) 5 N 2 3+ , Co(NH 3 ) 5 [E-N(N 2 )(NO)] 3+ , Co(NH 3 ) 5 (E-ON 4 ) 3+ , Co(NH 3 ) 5 ON 2 3+ , Co(NH 3 ) 5 (cycl-N 4 O) 3+ , and Co(NH 3 ) 5 N 2 O 3+ , exhibit short lifetimes of less than ∼60 μs and react via the I d mechanism.

Properties of raw materials and intermediate products in the production of uranium dioxide sintered tablets

International Nuclear Information System (INIS)

Landspersky, H.; Vanecek, I.; Podest, M.

1977-01-01

The properties are described of ammonium polyuranate and of powder uranium dioxide. Ammonium polyuranate, an intermediate product, is prepared by filtering the precipitate from uranyl nitrate solution precipitation, this either by an ammonia aqueous solution from a uranyl nitrate aqueous solution or by direct U 6+ precipitation from a TBP kerosene solution by aqueous concentrated ammonia. With relation to further processing, the major properties of the intermediate product include grain size, shape and appearance of crystallites, structure and thermal decomposition. These properties affect the properties of UO 2 , the following intermediate product obtained by reduction of ammonium polyuranate. Powder UO 2 is the final intermediate product; high-compacted UO 2 pellets are manufactured from it by compacting and sintering. The final product properties are affected by the following parameters: specific surface, grain size and shape, U/O ratio and compactibility. The effect of and the techniques of determining these parameters are shown. The necessity is emphasised of studying the properties of powder ammonium polyuranate because changes in its production technology affect the properties of further products. (J.P.)

Catalytic Ozonation of Phenolic Wastewater: Identification and Toxicity of Intermediates

Directory of Open Access Journals (Sweden)

Mahdi Farzadkia

2014-01-01

Full Text Available A new strategy in catalytic ozonation removal method for degradation and detoxification of phenol from industrial wastewater was investigated. Magnetic carbon nanocomposite, as a novel catalyst, was synthesized and then used in the catalytic ozonation process (COP and the effects of operational conditions such as initial pH, reaction time, and initial concentration of phenol on the degradation efficiency and the toxicity assay have been investigated. The results showed that the highest catalytic potential was achieved at optimal neutral pH and the removal efficiency of phenol and COD is 98.5% and 69.8%, respectively. First-order modeling demonstrated that the reactions were dependent on the initial concentration of phenol, with kinetic constants varying from 0.038 min−1  ([phenol]o = 1500 mg/L to 1.273 min−1 ([phenol]o = 50 mg/L. Bioassay analysis showed that phenol was highly toxic to Daphnia magna (LC50 96 h=5.6 mg/L. Comparison of toxicity units (TU of row wastewater (36.01 and the treated effluent showed that TU value, after slightly increasing in the first steps of ozonation for construction of more toxic intermediates, severely reduced at the end of reaction (2.23. Thus, COP was able to effectively remove the toxicity of intermediates which were formed during the chemical oxidation of phenolic wastewaters.

Mechanism of thermal decomposition of K{sub 2}FeO{sub 4} and BaFeO{sub 4}: A review

Energy Technology Data Exchange (ETDEWEB)

Sharma, Virender K., E-mail: vsharma@sph.tamhsc.edu [Texas A& M University, Department of Environmental and Occupational Health, School of Public Health (United States); Machala, Libor [Palacky University, Regional Centre of Advanced Technologies and Materials, Departments of Experimental Physics and Physical Chemistry, Faculty of Science (Czech Republic)

2016-12-15

This paper presents thermal decomposition of potassium ferrate(VI) (K{sub 2}FeO{sub 4}) and barium ferrate(VI) (BaFeO{sub 4}) in air and nitrogen atmosphere. Mössbauer spectroscopy and nuclear forward scattering (NFS) synchrotron radiation approaches are reviewed to advance understanding of electron-transfer processes involved in reduction of ferrate(VI) to Fe(III) phases. Direct evidences of Fe {sup V} and Fe {sup IV} as intermediate iron species using the applied techniques are given. Thermal decomposition of K{sub 2}FeO{sub 4} involved Fe {sup V}, Fe {sup IV}, and K{sub 3}FeO{sub 3} as intermediate species while BaFeO{sub 3} (i.e. Fe {sup IV}) was the only intermediate species during the decomposition of BaFeO{sub 4}. Nature of ferrite species, formed as final Fe(III) species, of thermal decomposition of K{sub 2}FeO{sub 4} and BaFeO{sub 4} under different conditions are evaluated. Steps of the mechanisms of thermal decomposition of ferrate(VI), which reasonably explained experimental observations of applied approaches in conjunction with thermal and surface techniques, are summarized.

3ds Max design architectural visualization for intermediate users

CERN Document Server

Smith, Brian L

2012-01-01

Learn time-saving techniques and tested production-ready tips for maximum speed and efficiency in creating professional-level architectural visualizations in 3ds Max. Move from intermediate to an advanced level with specific and comprehensive instruction with this collaboration from nine different authors from around the world. Get their experience and skills in this full-color book, which not only teaches more advanced features, but also demonstrates the practical applications of those features to get readers ready for a real production environment. Fully updated for the most recent version o

Abrupt changes of intermediate water properties on the northeastern slope of the Bering Sea during the last glacial and deglacial period

Science.gov (United States)

Rella, Stephan F.; Tada, Ryuji; Nagashima, Kana; Ikehara, Minoru; Itaki, Takuya; Ohkushi, Ken'ichi; Sakamoto, Tatsuhiko; Harada, Naomi; Uchida, Masao

2012-09-01

Millennial-scale variability in the behavior of North Pacific Intermediate Water during the last glacial and deglacial period, and its association with Dansgaard-Oeschger (D-O) cycles and Heinrich events, are examined based on benthic foraminiferal oxygen and carbon isotopes (δ18Obf and δ13Cbf) and %CaCO3 using a sediment core recovered from the northeastern slope of the Bering Sea. A suite of positive δ18Obf excursions at intermediate depths of the Bering Sea, which seem at least in part associated with increases in the δ18Obf gradients between the Bering and Okhotsk Seas, suggest the Bering Sea as a proximate source of intermediate water during several severe stadial episodes in the last glacial and deglacial period. Absence of such δ18Obf gradients during periods of high surface productivity in the Bering and Okhotsk Seas, which we correlate to D-O interstadials, suggests a reduction in intermediate water production in the Bering Sea and subsequent introduction of nutrient-rich deep waters from the North Pacific into intermediate depths of the Bering Sea. We argue that a reorganization of atmospheric circulation in the high-latitude North Pacific during severe cold episodes in the last glacial and deglacial period created favorable conditions for brine rejection in the northeastern Bering Sea. The resulting salinity increase in the cold surface waters could have initiated intermediate (and deep) water formation that spread out to the North Pacific.

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

Composite cathode materials development for intermediate temperature solid oxide fuel cell systems

Science.gov (United States)

Qin, Ya

Solid oxide fuel cell (SOFC) systems are of particular interest as electrochemical power systems that can operate on various hydrocarbon fuels with high fuel-to-electrical energy conversion efficiency. Within the SOFC stack, La0.8Sr 0.2Ga0.8Mg0.115Co0.085O3-delta (LSGMC) has been reported as an optimized composition of lanthanum gallate based electrolytes to achieve higher oxygen ionic conductivity at intermediate temperatures, i.e., 500-700°C. The electrocatalytic properties of interfaces between LSGMC electrolytes and various candidate intermediate-temperature SOFC cathodes have been investigated. Sm0.5Sr0.5CoO 3-delta (SSC), and La0.6Sr0.4Co0.2Fe 0.8O3-delta (LSCF), in both pure and composite forms with LSGMC, were investigated with regards to both oxygen reduction and evolution, A range of composite cathode compositions, having ratios of SSC (in wt.%) with LSGMC (wt.%) spanning the compositions 9:1, 8:2, 7:3, 6:4 and 5:5, were investigated to determine the optimal cathode-electrolyte interface performance at intermediate temperatures. All LSGMC electrolyte and cathode powders were synthesized using the glycine-nitrate process (GNP). Symmetrical electrochemical cells were investigated with three-electrode linear dc polarization and ac impedance spectroscopy to characterize the kinetics of the interfacial reactions in detail. Composite cathodes were found to perform better than the single phase cathodes due to significantly reduced polarization resistances. Among those composite SSC-LSGMC cathodes, the 7:3 composition has demonstrated the highest current density at the equivalent overpotential values, indicating that 7:3 is an optimal mixing ratio of the composite cathode materials to achieve the best performance. For the composite SC-LSGMC cathode/LSGMC interface, the cathodic overpotential under 1 A/cm2 current density was as low as 0.085 V at 700°C, 0.062V at 750°C and 0.051V at 800°C in air. Composite LSCF-LSGMC cathode/LSGMC interfaces were found to have

Oxoferryl-Porphyrin Radical Catalytic Intermediate in Cytochrome bd Oxidases Protects Cells from Formation of Reactive Oxygen Species*

Science.gov (United States)

Paulus, Angela; Rossius, Sebastiaan Gijsbertus Hendrik; Dijk, Madelon; de Vries, Simon

2012-01-01

The quinol-linked cytochrome bd oxidases are terminal oxidases in respiration. These oxidases harbor a low spin heme b558 that donates electrons to a binuclear heme b595/heme d center. The reaction with O2 and subsequent catalytic steps of the Escherichia coli cytochrome bd-I oxidase were investigated by means of ultra-fast freeze-quench trapping followed by EPR and UV-visible spectroscopy. After the initial binding of O2, the O–O bond is heterolytically cleaved to yield a kinetically competent heme d oxoferryl porphyrin π-cation radical intermediate (compound I) magnetically interacting with heme b595. Compound I accumulates to 0.75–0.85 per enzyme in agreement with its much higher rate of formation (∼20,000 s−1) compared with its rate of decay (∼1,900 s−1). Compound I is next converted to a short lived heme d oxoferryl intermediate (compound II) in a phase kinetically matched to the oxidation of heme b558 before completion of the reaction. The results indicate that cytochrome bd oxidases like the heme-copper oxidases break the O–O bond in a single four-electron transfer without a peroxide intermediate. However, in cytochrome bd oxidases, the fourth electron is donated by the porphyrin moiety rather than by a nearby amino acid. The production of reactive oxygen species by the cytochrome bd oxidase was below the detection level of 1 per 1000 turnovers. We propose that the two classes of terminal oxidases have mechanistically converged to enzymes in which the O–O bond is broken in a single four-electron transfer reaction to safeguard the cell from the formation of reactive oxygen species. PMID:22287551

Mathematical modeling of a fast-breeder-reactor generating unit

International Nuclear Information System (INIS)

Kim, V.E.; Golovach, E.A.; Senkin, V.I.

1984-01-01

Dynamics equations are given for a reactor, intermediate heat exchanger, steam generator, and turbogenerator. The dynamic characteristics of the generating unit are described when perturbations occur in grid frequency, turbine valves, and feedwater consumption

Retention of intermediate polarization states in ferroelectric materials enabling memories for multi-bit data storage

Energy Technology Data Exchange (ETDEWEB)

Zhao, Dong; Asadi, Kamal; Blom, Paul W. M.; Leeuw, Dago M. de, E-mail: deleeuw@mpip-mainz.mpg.de [Max-Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Katsouras, Ilias [Holst Centre, High Tech Campus 31, 5656AE Eindhoven (Netherlands); Groen, Wilhelm A. [Holst Centre, High Tech Campus 31, 5656AE Eindhoven (Netherlands); Faculty of Aerospace Engineering, Delft University of Technology, Kluyverweg 1 2629 HS, Delft (Netherlands)

2016-06-06

A homogeneous ferroelectric single crystal exhibits only two remanent polarization states that are stable over time, whereas intermediate, or unsaturated, polarization states are thermodynamically instable. Commonly used ferroelectric materials however, are inhomogeneous polycrystalline thin films or ceramics. To investigate the stability of intermediate polarization states, formed upon incomplete, or partial, switching, we have systematically studied their retention in capacitors comprising two classic ferroelectric materials, viz. random copolymer of vinylidene fluoride with trifluoroethylene, P(VDF-TrFE), and Pb(Zr,Ti)O{sub 3}. Each experiment started from a discharged and electrically depolarized ferroelectric capacitor. Voltage pulses were applied to set the given polarization states. The retention was measured as a function of time at various temperatures. The intermediate polarization states are stable over time, up to the Curie temperature. We argue that the remarkable stability originates from the coexistence of effectively independent domains, with different values of polarization and coercive field. A domain growth model is derived quantitatively describing deterministic switching between the intermediate polarization states. We show that by using well-defined voltage pulses, the polarization can be set to any arbitrary value, allowing arithmetic programming. The feasibility of arithmetic programming along with the inherent stability of intermediate polarization states makes ferroelectric materials ideal candidates for multibit data storage.

Retention of intermediate polarization states in ferroelectric materials enabling memories for multi-bit data storage

Science.gov (United States)

Zhao, Dong; Katsouras, Ilias; Asadi, Kamal; Groen, Wilhelm A.; Blom, Paul W. M.; de Leeuw, Dago M.

2016-06-01

A homogeneous ferroelectric single crystal exhibits only two remanent polarization states that are stable over time, whereas intermediate, or unsaturated, polarization states are thermodynamically instable. Commonly used ferroelectric materials however, are inhomogeneous polycrystalline thin films or ceramics. To investigate the stability of intermediate polarization states, formed upon incomplete, or partial, switching, we have systematically studied their retention in capacitors comprising two classic ferroelectric materials, viz. random copolymer of vinylidene fluoride with trifluoroethylene, P(VDF-TrFE), and Pb(Zr,Ti)O3. Each experiment started from a discharged and electrically depolarized ferroelectric capacitor. Voltage pulses were applied to set the given polarization states. The retention was measured as a function of time at various temperatures. The intermediate polarization states are stable over time, up to the Curie temperature. We argue that the remarkable stability originates from the coexistence of effectively independent domains, with different values of polarization and coercive field. A domain growth model is derived quantitatively describing deterministic switching between the intermediate polarization states. We show that by using well-defined voltage pulses, the polarization can be set to any arbitrary value, allowing arithmetic programming. The feasibility of arithmetic programming along with the inherent stability of intermediate polarization states makes ferroelectric materials ideal candidates for multibit data storage.

An analytic distorted wave approximation for intermediate energy proton scattering

International Nuclear Information System (INIS)

Di Marzio, F.; Amos, K.

1982-01-01

An analytic Distorted Wave approximation has been developed for use in analyses of intermediate energy proton inelastic scattering from nuclei. Applications are made to analyse 402 and 800 MeV data from the isoscalar and isovector 1 + and 2 + states in 12 C and to the 800 MeV data from the excitation of the 2 - (8.88MeV) state in 16 O. Comparisons of predictions made using different model two-nucleon t-matrices and different models of nuclear structure are given

A strategy for the improvement of the intermediate and low level radioactive waste management

International Nuclear Information System (INIS)

Benitez, J.C.; Salgado, M.; Jova, L.

1996-01-01

The work describes the surrent situation with regard to the management of intermediate and low level radioactive wastes that are generated in the country. Updated information is reffered on the quantities of stored wastes that are to be treated and conditioned at the facilities of the CPHR

Performances of X-shooter, the new wide-band intermediate resolution spectrograph at the VLT

NARCIS (Netherlands)

Vernet, J.; Dekker, H.; D'Odorico, S.; Mason, E.; Di Marcantonio, P.; Downing, M.; Elswijk, E.; Finger, G.; Fischer, G.; Kerber, F.; Kern, L.; Lizon, J.-L.; Lucuix, C.; Mainieri, V.; Modigliani, A.; Patat, F.; Ramsay, S.; Santin, P.; Vidali, M.; Groot, P.; Guinouard, I.; Hammer, F.; Kaper, L.; Kjærgaard-Rasmussen, P.; Navarro, R.; Randich, S.; Zerbi, F.

2010-01-01

X-shooter is the first second-generation instrument newly commissioned a the VLT. It is a high efficiency single target intermediate resolution spectrograph covering the range 300 - 2500 nm in a single shot. We summarize the main characteristics of the instrument and present its performances as

Electrochemical incineration of chloranilic acid using Ti/IrO2, Pb/PbO2 and Si/BDD electrodes

International Nuclear Information System (INIS)

Martinez-Huitle, Carlos A.; Quiroz, Marco Antonio; Comninellis, Christos; Ferro, Sergio; Battisti, Achille De

2004-01-01

The electrochemical oxidation of chloranilic acid (CAA) has been studied in acidic media at Pb/PbO 2 , boron-doped diamond (Si/BDD) and Ti/IrO 2 electrodes by bulk electrolysis experiments under galvanostatic control. The obtained results have clearly shown that the electrode material is an important parameter for the optimization of such processes, deciding of their mechanism and of the oxidation products. It has been observed that the oxidation of CAA generates several intermediates eventually leading to its complete mineralization. Different current efficiencies were obtained at Pb/PbO 2 and BDD, depending on the applied current density in the range from 6.3 to 50 mA cm -2 . Also the effect of the temperature on Pb/PbO 2 and BDD electrodes was studied. UV spectrometric measurements were carried out at all anodic materials, with applied current density of 25 and 50 mA cm -2 . These results showed a faster CAA elimination at the BDD electrode. Finally, a mechanism for the electrochemical oxidation of CAA has been proposed according to the results obtained with the HPLC technique

Neutrino mass as the probe of intermediate mass scales

International Nuclear Information System (INIS)

Senjanovic, G.

1980-01-01

A discussion of the calculability of neutrino mass is presented. The possibility of neutrinos being either Dirac or Majorana particles is analyzed in detail. Arguments are offered in favor of the Majorana case: the smallness of neutrino mass is linked to the maximality of parity violation in weak interactions. It is shown how the measured value of neutrino mass would probe the existence of an intermediate mass scale, presumably in the TeV region, at which parity is supposed to become a good symmetry. Experimental consequences of the proposed scheme are discussed, in particular the neutrino-less double β decay, where observation would provide a crucial test of the model, and rare muon decays such as μ → eγ and μ → ee anti e. Finally, the embedding of this model in an O(10) grand unified theory is analyzed, with the emphasis on the implications for intermediate mass scales that it offers. It is concluded that the proposed scheme provides a distinct and testable alternative for understanding the smallness of neutrino mass. 4 figures

Neutrino mass as the probe of intermediate mass scales

Energy Technology Data Exchange (ETDEWEB)

Senjanovic, G.

1980-01-01

A discussion of the calculability of neutrino mass is presented. The possibility of neutrinos being either Dirac or Majorana particles is analyzed in detail. Arguments are offered in favor of the Majorana case: the smallness of neutrino mass is linked to the maximality of parity violation in weak interactions. It is shown how the measured value of neutrino mass would probe the existence of an intermediate mass scale, presumably in the TeV region, at which parity is supposed to become a good symmetry. Experimental consequences of the proposed scheme are discussed, in particular the neutrino-less double ..beta.. decay, where observation would provide a crucial test of the model, and rare muon decays such as ..mu.. ..-->.. e..gamma.. and ..mu.. ..-->.. ee anti e. Finally, the embedding of this model in an O(10) grand unified theory is analyzed, with the emphasis on the implications for intermediate mass scales that it offers. It is concluded that the proposed scheme provides a distinct and testable alternative for understanding the smallness of neutrino mass. 4 figures.

[Therapy of intermediate uveitis].

Science.gov (United States)

Doycheva, D; Deuter, C; Zierhut, M

2014-12-01

Intermediate uveitis is a form of intraocular inflammation in which the vitreous body is the major site of inflammation. Intermediate uveitis is primarily treated medicinally and systemic corticosteroids are the mainstay of therapy. When recurrence of uveitis or side effects occur during corticosteroid therapy an immunosuppressive treatment is required. Cyclosporine A is the only immunosuppressive agent that is approved for therapy of uveitis in Germany; however, other immunosuppressive drugs have also been shown to be effective and well-tolerated in patients with intermediate uveitis. In severe therapy-refractory cases when conventional immunosuppressive therapy has failed, biologics can be used. In patients with unilateral uveitis or when the systemic therapy is contraindicated because of side effects, an intravitreal steroid treatment can be carried out. In certain cases a vitrectomy may be used.

/sup 16/O-/sup 16/O scattering by the generator coordinate method. [Phase shifts, angular distributions, 13 and 19 NeV

Energy Technology Data Exchange (ETDEWEB)

Canto, L F [Oxford Univ. (UK). Dept. of Theoretical Physics

1977-03-21

The elastic scattering of two /sup 16/O nuclei is studied by the generator coordinate method. Phase shifts are calculated and compared to the results of calculations by the resonating group method. A method to include absorption in the generator coordinate method is suggested and 13 and 19 MeV angular distributions are calculated. The agreement with experiment is appreciably improved.

Instrument-Free and Autonomous Generation of H2O2 from Mg-ZnO/Au Hybrids for Disinfection and Organic Pollutant Degradations

Science.gov (United States)

Park, Seon Yeong; Jung, Yeon Wook; Hwang, Si Hyun; Jang, Gun Hyuk; Seo, Hyunseon; Kim, Yu-Chan; Ok, Myoung-Ryul

2018-03-01

We proposed a new hybrid system that autonomously generates H2O2 without any instrument or external energy source, such as light. Electrons formed during spontaneous degradation process of Mg were conveyed to ZnO/Au oxygen-reduction-reaction nanocatalysts, and these transferred electrons converted O2 molecules in aqueous solution into H2O2. Autonomously released H2O2 from Mg-ZnO/Au hybrids effectively killed 97% of Escherichia coli cells within 1 h. Moreover, Mg-ZnO/Au nanohybrids could gradually degrade methylene blue over time with Fe2+. We believe our approach utilizing degradable metals and catalytic metal oxides in mesoporous-film form can be a promising method in the field of environment remediation.

Bacillus anthracis o-succinylbenzoyl-CoA synthetase: reaction kinetics and a novel inhibitor mimicking its reaction intermediate.

Science.gov (United States)

Tian, Yang; Suk, Dae-Hwan; Cai, Feng; Crich, David; Mesecar, Andrew D

2008-11-25

o-Succinylbenzoyl-CoA (OSB-CoA) synthetase (EC 6.2.1.26) catalyzes the ATP-dependent condensation of o-succinylbenzoate (OSB) and CoA to form OSB-CoA, the fourth step of the menaquinone biosynthetic pathway in Bacillus anthracis. Gene knockout studies have highlighted this enzyme as a potential target for the discovery of new antibiotics. Here we report the first studies on the kinetic mechanism of B. anthracis OSB-CoA synthetase, classifying it as an ordered bi uni uni bi ping-pong mechanism. Through a series of pre-steady-state and steady-state kinetic studies in conjunction with direct binding studies, it is demonstrated that CoA, the last substrate to bind, strongly activates the first half-reaction after the first round of turnover. The activation of the first half-reaction is most likely achieved by CoA stabilizing conformations of the enzyme in the "F" form, which slowly isomerize back to the E form. Thus, the kinetic mechanism of OSB-CoA synthetase may be more accurately described as an ordered bi uni uni bi iso ping-pong mechanism. The substrate specificity of OSB-CoA synthetase was probed using a series of OSB analogues with alterations in the carboxylate groups. OSB-CoA shows a strong preference for OSB over all of the analogues tested as none were active except 4-[2-(trifluoromethyl)phenyl]-4-oxobutyric acid which exhibited a 100-fold decrease in k(cat)/K(m). On the basis of an understanding of OSB-CoA synthetase's kinetic mechanism and substrate specificity, a reaction intermediate analogue of OSB-AMP, 5'-O-{N-[2-(trifluoromethyl)phenyl]-4-oxobutyl}adenosine sulfonamide (TFMP-butyl-AMS), was designed and synthesized. This inhibitor was found to be an uncompetitive inhibitor to CoA and a mixed-type inhibitor to ATP and OSB with low micromolar inhibition constants. Collectively, these results should serve as an important forerunner to more detailed and extensive inhibitor design studies aimed at developing lead compounds against the OSB-CoA synthetase

Laser stimulated third harmonic generation studies in ZnO-Ta2O5-B2O3 glass ceramics entrenched with Zn3Ta2O8 crystal phases

Science.gov (United States)

Siva Sesha Reddy, A.; Jedryka, J.; Ozga, K.; Ravi Kumar, V.; Purnachand, N.; Kityk, I. V.; Veeraiah, N.

2018-02-01

In this study zinc borate glasses doped with different concentrations Ta2O5 were synthesized and were crystallized by heat treatment for prolonged times. The samples were characterized by XRD, SEM, IR and Raman spectroscopy techniques. The SEM images of the crystallized samples have indicated that the samples contain randomly distributed crystal grains with size ∼1 μm entrenched in the residual amorphous phase. XRD studies have exhibited diffraction peaks identified as being due to the reflections from (1 1 1) planes of monoclinic Zn3Ta2O8 crystal phase that contains intertwined tetrahedral zinc and octahedral tantalate structural units. The concentration of such crystal phases in the bulk samples is observed to increase with increase of Ta2O5 up to 3.0 mol%. The IR and Raman spectroscopy studies have confirmed the presence of ZnO4 and TaO6 structural units in the glass network in addition to the conventional borate structural units. For measuring third harmonic generation (THG) in the samples, the samples were irradiated with 532 nm laser beam and the intensity of THG of probing beam (Nd:YAG λ = 1064 nm 20 ns pulsed laser (ω)) is measured as a function of fundamental beam power varying up to 200 J/m2. The intensity of THG is found to be increasing with increase of fundamental beam power and found to be the maximal for the glass crystallized with 3.0 mol% of Ta2O5. The intensity of THG of the ceramicized samples is found to be nearly 5 times higher with respect to that of pre-crystallized samples. The generation of 3ω is attributed to the perturbation/interaction between Zn3Ta2O8 anisotropic crystal grains and the incident probing beam.

Evaluation Metrics for Intermediate Heat Exchangers for Next Generation Nuclear Reactors

International Nuclear Information System (INIS)

Sabharwall, Piyush; Kim, Eung Soo; Anderson, Nolan

2011-01-01

The Department of Energy (DOE) is working with industry to develop a next generation, high-temperature gas-cooled reactor (HTGR) as a part of the effort to supply the United States with abundant, clean, and secure energy as initiated by the Energy Policy Act of 2005 (EPAct; Public Law 109-58,2005). The NGNP Project, led by the Idaho National Laboratory (INL), will demonstrate the ability of the HTGR to generate hydrogen, electricity, and/or high-quality process heat for a wide range of industrial applications.

Fabrication of ZnO Nanowire Based Piezoelectric Generators and Related Structures

Science.gov (United States)

Opoku, Charles; Dahiya, Abhishek Singh; Oshman, Christopher; Cayrel, Frederic; Poulin-Vittrant, Guylaine; Alquier, Daniel; Camara, Nicolas

Using vertically grown hydrothermal ZnO nanowires, we demonstrate the assembly of fully functional piezoelectric energy harvesters on plastics substrates. A seedless hydrothermal process is employed for the growth of single crystalline vertically orientated ZnO NWs at around 100oC. Flexible NG are assembled using ∼7 μm thick PDMS polymer matrix on a 3x3cm substrate. A representative device with an active area of 4cm2 is characterised revealing average output voltage generation of ∼22mV (±1.2) and -32mV (±0.16) in the positive and negative cycles after 3-4mm periodic deflection at 20Hz. A power density of ∼288nW/cm3 is estimated for the device. It is envisaged that such energy scavengers may find potential applications targeting self-powered systems, sensors and on-body charging of electronics.

Degradation and intermediates of diclofenac as instructive example for decomposition of recalcitrant pharmaceuticals by hydroxyl radicals generated with pulsed corona plasma in water.

Science.gov (United States)

Banaschik, Robert; Jablonowski, Helena; Bednarski, Patrick J; Kolb, Juergen F

2018-01-15

Seven recalcitrant pharmaceutical residues (diclofenac, 17α-ethinylestradiol, carbamazepine, ibuprofen, trimethoprim, diazepam, diatrizoate) were decomposed by pulsed corona plasma generated directly in water. The detailed degradation pathway was investigated for diclofenac and 21 intermediates could be identified in the degradation cascade. Hydroxyl radicals have been found primarily responsible for decomposition steps. By spin trap enhanced electron paramagnetic resonance spectroscopy (EPR), OH-adducts and superoxide anion radical adducts were detected and could be distinguished applying BMPO as a spin trap. The increase of concentrations of adducts follows qualitatively the increase of hydrogen peroxide concentrations. Hydrogen peroxide is eventually consumed in Fenton-like processes but the concentration is continuously increasing to about 2mM for a plasma treatment of 70min. Degradation of diclofenac is inversely following hydrogen peroxide concentrations. No qualitative differences between byproducts formed during plasma treatment or due to degradation via Fenton-induced processes were observed. Findings on degradation kinetics of diclofenac provide an instructive understanding of decomposition rates for recalcitrant pharmaceuticals with respect to their chemical structure. Accordingly, conclusions can be drawn for further development and a first risk assessment of the method which can also be applied towards other AOPs that rely on the generation of hydroxyl radicals. Copyright © 2017 Elsevier B.V. All rights reserved.

La0.6Sr0.4Co0.2Fe0.8O3-δ nanofiber cathode for intermediate-temperature solid oxide fuel cells by water-based sol-gel electrospinning: Synthesis and electrochemical behaviour

DEFF Research Database (Denmark)

Enrico, Anna; Zhang, Wenjing (Angela); Traulsen, Marie Lund

2018-01-01

Water-based sol-gel electrospinning is employed to manufacture perovskite oxide La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF) nanofiber cathodes for intermediate-temperature solid oxide fuel cells. LSCF fibrous scaffolds are synthesized through electrospinning of a sol-gel solution employing water as the only...

n-Heptane cool flame chemistry: Unraveling intermediate species measured in a stirred reactor and motored engine

KAUST Repository

Wang, Zhandong; Chen, Bingjie; Moshammer, Kai; Popolan-Vaida, Denisia M.; Sioud, Salim; Shankar, Vijai; Vuilleumier, David; Tao, Tao; Ruwe, Lena; Brä uer, Eike; Hansen, Nils; Dagaut, Philippe; Kohse-Hö inghaus, Katharina; Raji, Misjudeen; Sarathy, Mani

2017-01-01

-OTMS, which has ultra-high mass resolving power and provides an accurate elemental C/H/O composition of the intermediate species. Furthermore, the results show that the species formed during the partial oxidation of n-heptane in the CFR engine are very similar

Effect of Intermediate Hosts on Emerging Zoonoses.

Science.gov (United States)

Cui, Jing-An; Chen, Fangyuan; Fan, Shengjie

2017-08-01

Most emerging zoonotic pathogens originate from animals. They can directly infect humans through natural reservoirs or indirectly through intermediate hosts. As a bridge, an intermediate host plays different roles in the transmission of zoonotic pathogens. In this study, we present three types of pathogen transmission to evaluate the effect of intermediate hosts on emerging zoonotic diseases in human epidemics. These types are identified as follows: TYPE 1, pathogen transmission without an intermediate host for comparison; TYPE 2, pathogen transmission with an intermediate host as an amplifier; and TYPE 3, pathogen transmission with an intermediate host as a vessel for genetic variation. In addition, we established three mathematical models to elucidate the mechanisms underlying zoonotic disease transmission according to these three types. Stability analysis indicated that the existence of intermediate hosts increased the difficulty of controlling zoonotic diseases because of more difficult conditions to satisfy for the disease to die out. The human epidemic would die out under the following conditions: TYPE 1: [Formula: see text] and [Formula: see text]; TYPE 2: [Formula: see text], [Formula: see text], and [Formula: see text]; and TYPE 3: [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text] Simulation with similar parameters demonstrated that intermediate hosts could change the peak time and number of infected humans during a human epidemic; intermediate hosts also exerted different effects on controlling the prevalence of a human epidemic with natural reservoirs in different periods, which is important in addressing problems in public health. Monitoring and controlling the number of natural reservoirs and intermediate hosts at the right time would successfully manage and prevent the prevalence of emerging zoonoses in humans.

Intermediate structure and threshold phenomena

International Nuclear Information System (INIS)

Hategan, Cornel

2004-01-01

The Intermediate Structure, evidenced through microstructures of the neutron strength function, is reflected in open reaction channels as fluctuations in excitation function of nuclear threshold effects. The intermediate state supporting both neutron strength function and nuclear threshold effect is a micro-giant neutron threshold state. (author)

PARTICIPAÇÃO DO ENFERMEIRO NA GESTÃO DE RECURSOS HOSPITALARES

Directory of Open Access Journals (Sweden)

Palloma Fernandes Estanislau Vaz Ventura

2016-01-01

Full Text Available Objetivo: analisar a participação do enfermeiro na definição e gerenciamento de recursos materiais, humanos, físicos e financeiros no trabalho cotidiano da enfermagem em um hospital. Método: estudo de caso de abordagem qualitativa, realizado em um hospital geral, privado de médio porte. Os dados foram coletados por meio de entrevistas com roteiro semiestruturado, totalizando 23 participantes dentre eles enfermeiros e diretores. Como critério de inclusão foram selecionados profissionais que lidam diretamente com a gestão de recursos humanos, físicos, financeiros e materiais na instituição. Os dados foram submetidos à análise de conteúdo. Resultados: os enfermeiros participam do gerenciamento dos recursos materiais, humanos, físicos e financeiros em nível intermediário, com diferentes graus de autonomia, mas principalmente fornecendo informações. Evidenciou-se maior participação dos coordenadores de enfermagem nas decisões sobre o gerenciamento de recursos humanos de enfermagem e no gerenciamento de recursos materiais. Conclusão: o enfermeiro participa da gestão de recursos hospitalares em nível intermediário e a decisão final sobre pessoal, material ou espaços físicos se concentra na diretoria.

Intermediate algebra & analytic geometry

CERN Document Server

Gondin, William R

1967-01-01

Intermediate Algebra & Analytic Geometry Made Simple focuses on the principles, processes, calculations, and methodologies involved in intermediate algebra and analytic geometry. The publication first offers information on linear equations in two unknowns and variables, functions, and graphs. Discussions focus on graphic interpretations, explicit and implicit functions, first quadrant graphs, variables and functions, determinate and indeterminate systems, independent and dependent equations, and defective and redundant systems. The text then examines quadratic equations in one variable, system

Evidence for close side-chain packing in an early protein folding intermediate previously assumed to be a molten globule.

Science.gov (United States)

Rosen, Laura E; Connell, Katelyn B; Marqusee, Susan

2014-10-14

The molten globule, a conformational ensemble with significant secondary structure but only loosely packed tertiary structure, has been suggested to be a ubiquitous intermediate in protein folding. However, it is difficult to assess the tertiary packing of transiently populated species to evaluate this hypothesis. Escherichia coli RNase H is known to populate an intermediate before the rate-limiting barrier to folding that has long been thought to be a molten globule. We investigated this hypothesis by making mimics of the intermediate that are the ground-state conformation at equilibrium, using two approaches: a truncation to generate a fragment mimic of the intermediate, and selective destabilization of the native state using point mutations. Spectroscopic characterization and the response of the mimics to further mutation are consistent with studies on the transient kinetic intermediate, indicating that they model the early intermediate. Both mimics fold cooperatively and exhibit NMR spectra indicative of a closely packed conformation, in contrast to the hypothesis of molten tertiary packing. This result is important for understanding the nature of the subsequent rate-limiting barrier to folding and has implications for the assumption that many other proteins populate molten globule folding intermediates.

Biological Reactive Intermediates (BRIs) Formed from Botanical Dietary Supplements

Science.gov (United States)

Dietz, Birgit M.; Bolton, Judy L.

2013-01-01

The use of botanical dietary supplements is increasingly popular, due to their natural origin and the perceived assumption that they are safer than prescription drugs. While most botanical dietary supplements can be considered safe, a few contain compounds, which can be converted to reactive biological reactive intermediates (BRIs) causing toxicity. For example, sassafras oil contains safrole, which can be converted to a reactive carbocation forming genotoxic DNA adducts. Alternatively, some botanical dietary supplements contain stable BRIs such as simple Michael acceptors that react with chemosensor proteins such as Keap1 resulting in induction of protective detoxification enzymes. Examples include curcumin from turmeric, xanthohumol from hops, and Z-ligustilide from dang gui. Quinones (sassafras, kava, black cohosh), quinone methides (sassafras), and epoxides (pennyroyal oil) represent BRIs of intermediate reactivity, which could generate both genotoxic and/or chemopreventive effects. The biological targets of BRIs formed from botanical dietary supplements and their resulting toxic and/or chemopreventive effects are closely linked to the reactivity of BRIs as well as dose and time of exposure. PMID:20970412

Higher-order quasi-phase matched second harmonic generation in periodically poled MgO-doped stoichiometric LiTaO3

International Nuclear Information System (INIS)

Yu, Nan Ei; Kurimura, Sunao; Kitamura, Kenji

2005-01-01

A periodically poled device was investigated by using fourth-order quasi-phase-matched (QPM) second harmonic generation (SHG) in MgO-doped stoichiometric lithium tantalate (LiTaO 3 ). The effective nonlinear coefficient was found be 2.4 pm/V by using fourth-order QPM SHG at the fundamental wavelength of 1064 nm. For first-order QPM SHG, the effective value of d 33 could be 9.2 pm/V. Using the sensitive higher-order QPM SHG method, we investigated the relationship between the domain duty ratio and the conversion efficiency.

Thermal catalytic oxidation of octachloronaphthalene over anatase TiO2 nanomaterial and its hypothesized mechanism

Science.gov (United States)

Su, Guijin; Li, Qianqian; Lu, Huijie; Zhang, Lixia; Huang, Linyan; Yan, Li; Zheng, Minghui

2015-12-01

As an environmentally-green technology, thermal catalytic oxidation of octachloronaphthalene (CN-75) over anatase TiO2 nanomaterials was investigated at 300 °C. A wide range of oxidation intermediates, which were investigated using various techniques, could be of three types: naphthalene-ring, single-benzene-ring, and completely ring-opened products. Reactive oxygen species on anatase TiO2 surface, such as O2-• and O2-, contributed to oxidative degradation. Based on these findings, a novel oxidation degradation mechanism was proposed. The reaction at (101) surface of anatase TiO2 was used as a model. The naphthalene-ring oxidative products with chloronaphthols and hydroxyl-pentachloronaphthalene-dione, could be formed via attacking the carbon of naphthalene ring at one or more positions by nucleophilic O2-. Lateral cleavage of the naphthalene ring at different C1-C10 and C4-C9, C1-C2 and C4-C9, C1-C2 or and C3-C4 bond positions by electrophilic O2-• could occur. This will lead to the formation of tetrachlorophenol, tetrachloro-benzoic acid, tetrachloro-phthalaldehyde, and tetrachloro-acrolein-benzoic acid, partially with further transformation into tetrachlorobenzene-dihydrodiol and tetrachloro-salicylic acid. Unexpectedly, the symmetric half section of CN-75 could be completely remained with generating the intricate oxidative intermediates characteristically containing tetrachlorobenzene structure. Complete cleavage of naphthalene ring could produce the ring-opened products, such as formic and acetic acids.

Regularities of intermediate adsorption complex relaxation

International Nuclear Information System (INIS)

Manukova, L.A.

1982-01-01

The experimental data, characterizing the regularities of intermediate adsorption complex relaxation in the polycrystalline Mo-N 2 system at 77 K are given. The method of molecular beam has been used in the investigation. The analytical expressions of change regularity in the relaxation process of full and specific rates - of transition from intermediate state into ''non-reversible'', of desorption into the gas phase and accumUlation of the particles in the intermediate state are obtained

FINANCIAL INTERMEDIATION, ENTREPRENEURSHIP AND ECONOMIC GROWTH

OpenAIRE

Wenli Cheng

2007-01-01

This paper presents a simple general equilibrium model of financial intermediation, entrepreneurship and economic growth. In this model, the role of financial intermediation is to pool savings and to lend the pooled funds to an entrepreneur, who in turn invests the funds in a new production technology. The adoption of the new production technology improves individual real income. Thus financial intermediation promotes economic growth through affecting individuals’ saving behaviour and enabl...

Some Intermediate-Level Violin Concertos.

Science.gov (United States)

Abramson, Michael

1997-01-01

Contends that many violin students attempt difficult concertos before they are technically or musically prepared. Identifies a variety of concertos at the intermediate and advanced intermediate-level for students to study and master before attempting the advanced works by Bach and Mozart. Includes concertos by Vivaldi, Leclair, Viotti, Haydn,…

Understanding the mechanism of catalytic fast pyrolysis by unveiling reactive intermediates in heterogeneous catalysis

Science.gov (United States)

Hemberger, Patrick; Custodis, Victoria B. F.; Bodi, Andras; Gerber, Thomas; van Bokhoven, Jeroen A.

2017-06-01

Catalytic fast pyrolysis is a promising way to convert lignin into fine chemicals and fuels, but current approaches lack selectivity and yield unsatisfactory conversion. Understanding the pyrolysis reaction mechanism at the molecular level may help to make this sustainable process more economic. Reactive intermediates are responsible for product branching and hold the key to unveiling these mechanisms, but are notoriously difficult to detect isomer-selectively. Here, we investigate the catalytic pyrolysis of guaiacol, a lignin model compound, using photoelectron photoion coincidence spectroscopy with synchrotron radiation, which allows for isomer-selective detection of reactive intermediates. In combination with ambient pressure pyrolysis, we identify fulvenone as the central reactive intermediate, generated by catalytic demethylation to catechol and subsequent dehydration. The fulvenone ketene is responsible for the phenol formation. This technique may open unique opportunities for isomer-resolved probing in catalysis, and holds the potential for achieving a mechanistic understanding of complex, real-life catalytic processes.

Study on synthesis of {sup 68}GeO{sub 2} and behavior of {sup 68}Ga{sup 3+} Generator column

Energy Technology Data Exchange (ETDEWEB)

Kim, Gun Gyun; Lee, Jun Young; Hur, Min Gu; Yang, Srung Dae; Park, Jeong Hoon [Radiation Instrumentation Research Division, Korea Atomic Energy Research Institute (KAERI), Daejeon (Korea, Republic of); Kim, Sang Wook [Dept. of Advanced Materials Chemistry, Dongguk University, Gyeongju (Korea, Republic of)

2017-02-15

{sup 68}Ga has emerged as a promising candidate for non-invasive diagnostic imaging within Positron Emission Tomography (PET) because of its advantageous radiochemical characteristics (t{sub 1/2}= 68 min, β{sup +} yield ⁓89%). {sup 68}Ga forms a stable chelation with various ligands and it is possible to be quickly and easily study using a {sup 68}Ge/{sup 68}Ga generator. Commercial {sup 68}Ge/{sup 68}Ga generators are chromatographic system using the inorganic materials such as alumina and tin dioxide which are employed as column matrixes for {sup 68}Ge. In this study, we tried out to make {sup 68}Ge/{sup 68}Ga generator system with the {sup 68}GeO{sub 2} microstructures for column matrix. {sup 68}Ge tends to have stable bond with oxide as {sup 68}GeO{sub 2} microstructures. The {sup 68}GeO{sub 2} has been synthesized by hydrolysis of GeCl{sub 4} (sol-gel method) and characterized by X-ray diffraction and scanning electron microscope for geometrical analysis. The stability of GeO{sub 2} was tested using eluent with diverse solvents (water, ethanol and 0.1 N HCl). The radioactivity of {sup 68}Ga{sup 3+} in eluate through GeO{sub 2} was measured to prove a function as column material for a generation eluate through GeO{sub 2} was measured to prove a function as column material for a generator.

Hydrogen generation from decomposition of hydrous hydrazine over Ni-Ir/CeO2 catalyst

Directory of Open Access Journals (Sweden)

Hongbin Dai

2017-02-01

Full Text Available The synthesis of highly active and selective catalysts is the central issue in the development of hydrous hydrazine (N2H4·H2O as a viable hydrogen carrier. Herein, we report the synthesis of bimetallic Ni-Ir nanocatalyts supported on CeO2 using a one-pot coprecipitation method. A combination of XRD, HRTEM and XPS analyses indicate that the Ni-Ir/CeO2 catalyst is composed of tiny Ni-Ir alloy nanoparticles with an average size of around 4 nm and crystalline CeO2 matrix. The Ni-Ir/CeO2 catalyst exhibits high catalytic activity and excellent selectivity towards hydrogen generation from N2H4·H2O at mild temperatures. Furthermore, in contrast to previously reported Ni-Pt catalysts, the Ni-Ir/CeO2 catalyst shows an alleviated requirement on alkali promoter to achieve its optimal catalytic performance.

Welding. Performance Objectives. Intermediate Course.

Science.gov (United States)

Vincent, Kenneth

Several intermediate performance objectives and corresponding criterion measures are listed for each of nine terminal objectives for an intermediate welding course. The materials were developed for a 36-week (3 hours daily) course designed to prepare the student for employment in the field of welding. Electric welding and specialized (TIG & MIG)…

CdS/TiO2 photoanodes via solution ion transfer method for highly efficient solar hydrogen generation

Science.gov (United States)

Krishna Karuturi, Siva; Yew, Rowena; Reddy Narangari, Parvathala; Wong-Leung, Jennifer; Li, Li; Vora, Kaushal; Tan, Hark Hoe; Jagadish, Chennupati

2018-03-01

Cadmium sulfide (CdS) is a unique semiconducting material for solar hydrogen generation applications with a tunable, narrow bandgap that straddles water redox potentials. However, its potential towards efficient solar hydrogen generation has not yet been realized due to low photon-to-current conversions, high charge carrier recombination and the lack of controlled preparation methods. In this work, we demonstrate a highly efficient CdS/TiO2 heterostructured photoelectrode using atomic layer deposition and solution ion transfer reactions. Enabled by the well-controlled deposition of CdS nanocrystals on TiO2 inverse opal (TiIO) nanostructures using the proposed method, a saturation photocurrent density of 9.1 mA cm-2 is realized which is the highest ever reported for CdS-based photoelectrodes. We further demonstrate that the passivation of a CdS surface with an ultrathin amorphous layer (˜1.5 nm) of TiO2 improves the charge collection efficiency at low applied potentials paving the way for unassisted solar hydrogen generation.

Probing the Catalytic Mechanism of S-Ribosylhomocysteinase (LuxS) with Catalytic Intermediates and Substrate Analogues

Energy Technology Data Exchange (ETDEWEB)

Gopishetty, Bhaskar; Zhu, Jinge; Rajan, Rakhi; Sobczak, Adam J.; Wnuk, Stanislaw F.; Bell, Charles E.; Pei, Dehua; (OSU); (FIU)

2009-05-12

S-Ribosylhomocysteinase (LuxS) cleaves the thioether bond in S-ribosylhomocysteine (SRH) to produce homocysteine (Hcys) and 4,5-dihydroxy-2,3-pentanedione (DPD), the precursor of the type II bacterial quorum sensing molecule (AI-2). The catalytic mechanism of LuxS comprises three distinct reaction steps. The first step involves carbonyl migration from the C1 carbon of ribose to C2 and the formation of a 2-ketone intermediate. The second step shifts the C=O group from the C2 to C3 position to produce a 3-ketone intermediate. In the final step, the 3-ketone intermediate undergoes a {beta}-elimination reaction resulting in the cleavage of the thioether bond. In this work, the 3-ketone intermediate was chemically synthesized and shown to be chemically and kinetically competent in the LuxS catalytic pathway. Substrate analogues halogenated at the C3 position of ribose were synthesized and reacted as time-dependent inhibitors of LuxS. The time dependence was caused by enzyme-catalyzed elimination of halide ions. Examination of the kinetics of halide release and decay of the 3-ketone intermediate catalyzed by wild-type and mutant LuxS enzymes revealed that Cys-84 is the general base responsible for proton abstraction in the three reaction steps, whereas Glu-57 likely facilitates substrate binding and proton transfer during catalysis.

Synthesis and nonlinear optical property of polycrystalline MnTeMoO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Jin, Chengguo [Yibin University, Key Laboratory of Computational Physics of Sichuan Province, Yibin (China); Yibin University, School of Physics and Electronic Engineering, Yibin (China)

2017-04-15

Polycrystalline MnTeMoO{sub 6} powder has been synthesized by a new approach that MnO{sub 2} is used as the manganese source. The transformation mechanism of manganese ions in the new approach has been discussed. The nonlinear optical property of polycrystalline MnTeMoO{sub 6} has been investigated, and compared with single-crystalline samples. The transformation Mn{sup 4+} → Mn{sup 2+} may be formed directly without stable intermediates, and TeO{sub 2} may serve as catalyst. The SHG response of polycrystalline MnTeMoO{sub 6} powder is worse than that of single-crystalline powder in the same particle size distribution as its pseudo-size. The results indicate that it should pay special attention with the pseudo-size of polycrystalline powder when the potential nonlinear optical materials are screened by powder second harmonic generation measurements. (orig.)

Evidence of oxygen vacancy and possible intermediate gap state in layered α-MoO{sub 3} single-crystal nanobelts

Energy Technology Data Exchange (ETDEWEB)

Chen, C.Z., E-mail: tcccz@shu.edu.cn; Li, Y.; Tang, X.D.

2016-01-15

Multilayered meso-structured MoO{sub 3} nanobelts have been synthesized by thermally oxidizing a molybdenum chip in a reduced oxygen atmosphere, with a view to disclosing the existence of oxygen vacancy and understanding the mechanism behind the influence of oxygen vacancy on the electronic structure of molybdenum oxides. Based on the measurements from X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM) and transmission electron microscope (TEM), it is found that the as-grown sample is single-crystal α-MoO{sub 3} with a (001) preferred orientation, which shows an irregular belt-like morphology being composed of some ~20 nm single-crystal thin layers. The present sample includes a lot of oxygen vacancies in the lattice, as evidenced by the considerably reduced coordination number of the central Mo atoms from X-ray absorption spectra (XAS) as well as the red shift of the main Raman peaks. The existence of the oxygen vacancies are further tested by the photoluminescence (PL) results as the main emission peak shows an obvious red shift with the corresponding optical band gap reduced to 2.3 eV. Very importantly, an extra emission positioned at 738 nm (1.68 eV) is believed to originate from the recombination of the electrons from the intermediate band (IB) to the valence band (VB), and the formation of the IB in the gap is also caused by oxygen-ion vacancies.

Compact Tunable Narrowband Terahertz-Wave Source Based on Difference Frequency Generation Pumped by Dual Fiber Lasers in MgO:LiNbO3

Science.gov (United States)

Wada, Yoshio; Satoh, Takumi; Higashi, Yasuhiro; Urata, Yoshiharu

2017-12-01

We demonstrate a high-average-power, single longitudinal-mode, and tunable terahertz (THz)-wave source based on difference frequency generation (DFG) in a MgO:LiNbO3 (MgO:LN) crystal. The waves for DFG are generated using a pair of Yb-doped pulsed fiber lasers with a master oscillator power fiber amplifier configuration. The average power of the THz-wave output reaches 450 μW at 1.07 THz (280 μm) at a linewidth of 7.2 GHz, and the tunability ranges from 0.35 to 1.07 THz under the pulse repetition frequency of 500 kHz. A short burn-in test of the THz wave is also carried out, and the output power stability is within ± 5% of the averaged power without any active stabilizing technique. The combination of MgO:LN-DFG and stable and robust fiber laser sources is highly promising for the development of high-average-power THz-wave sources, particularly in the high transmission sub-THz region. This approach may enable new applications of THz-wave spectroscopy in imaging and remote sensing.

Myeloperoxidase-mediated protein lysine oxidation generates 2-aminoadipic acid and lysine nitrile in vivo.

Science.gov (United States)

Lin, Hongqiao; Levison, Bruce S; Buffa, Jennifer A; Huang, Ying; Fu, Xiaoming; Wang, Zeneng; Gogonea, Valentin; DiDonato, Joseph A; Hazen, Stanley L

2017-03-01

Recent studies reveal 2-aminoadipic acid (2-AAA) is both elevated in subjects at risk for diabetes and mechanistically linked to glucose homeostasis. Prior studies also suggest enrichment of protein-bound 2-AAA as an oxidative post-translational modification of lysyl residues in tissues associated with degenerative diseases of aging. While in vitro studies suggest redox active transition metals or myeloperoxidase (MPO) generated hypochlorous acid (HOCl) may produce protein-bound 2-AAA, the mechanism(s) responsible for generation of 2-AAA during inflammatory diseases are unknown. In initial studies we observed that traditional acid- or base-catalyzed protein hydrolysis methods previously employed to measure tissue 2-AAA can artificially generate protein-bound 2-AAA from an alternative potential lysine oxidative product, lysine nitrile (LysCN). Using a validated protease-based digestion method coupled with stable isotope dilution LC/MS/MS, we now report protein bound 2-AAA and LysCN are both formed by hypochlorous acid (HOCl) and the MPO/H 2 O 2 /Cl - system of leukocytes. At low molar ratio of oxidant to target protein N ε -lysine moiety, 2-AAA is formed via an initial N ε -monochloramine intermediate, which ultimately produces the more stable 2-AAA end-product via sequential generation of transient imine and semialdehyde intermediates. At higher oxidant to target protein N ε -lysine amine ratios, protein-bound LysCN is formed via initial generation of a lysine N ε -dichloramine intermediate. In studies employing MPO knockout mice and an acute inflammation model, we show that both free and protein-bound 2-AAA, and in lower yield, protein-bound LysCN, are formed by MPO in vivo during inflammation. Finally, both 2-AAA and to lesser extent LysCN are shown to be enriched in human aortic atherosclerotic plaque, a tissue known to harbor multiple MPO-catalyzed protein oxidation products. Collectively, these results show that MPO-mediated oxidation of protein lysyl

Electronic structure and O vacancy formation/migration in La0.825(Mg/Ca/Ba)0.125CoO3

KAUST Repository

Omotayo Akande, Salawu

2016-05-05

The effect of A-site hole doping (Mg2+, Ca2+ or Ba2+) on the electronic and magnetic properties as well as the O vacancy formation and migration in perovskite LaCoO3 is studied using first-principles calculations. All three dopants are found to facilitate O vacancy formation. Substitution of La3+ with Ba2+/Mg2+ yields the lowest O vacancy formation energy for low/intermediate spin Co, implying that not only the structure but also the spin state of Co is a key parameter. Only for low spin Co the ionic radius is correlated with the O migration barrier. Enhanced migration for intermediate spin Co is ascribed to the availability of additional space at the transition state. © CopyrightEPLA, 2016.

Female biased sex-ratio in Schistosoma mansoni after exposure to an allopatric intermediate host strain of Biomphalaria glabrata.

Science.gov (United States)

Lepesant, Julie M J; Boissier, Jérôme; Climent, Déborah; Cosseau, Céline; Grunau, Christoph

2013-10-01

For parasites that require multiple hosts to complete their development, the interaction with the intermediate host may have an impact on parasite transmission and development in the definitive host. The human parasite Schistosoma mansoni needs two different hosts to complete its life cycle: the freshwater snail Biomphalaria glabrata (in South America) as intermediate host and a human or rodents as final host. To investigate the influence of the host environment on life history traits in the absence of selection, we performed experimental infections of two B. glabrata strains of different geographic origin with the same clonal population of S. mansoni. One B. glabrata strain is the sympatric host and the other one the allopatric host. We measured prevalence in the snail, the cercarial infectivity, sex-ratio, immunopathology in the final host and microsatellite frequencies of individual larvae in three successive generations. We show that, even if the parasite population is clonal based on neutral markers, S. mansoni keeps the capacity of generating phenotypic plasticity and/or variability for different life history traits when confront to an unusual environment, in this study the intermediate host. The most dramatic change was observed in sex-ratio: in average 1.7 times more female cercariae were produced when the parasite developed in an allopatric intermediate host. Copyright © 2013 Elsevier Inc. All rights reserved.

Application of staged O-2 feeding in the oxidative dehydrogenation of ethylbenzene to styrene over Al2O3 and P2O5/SiO2 catalysts

NARCIS (Netherlands)

Nederlof, Christian; Zarubina, Valeriya; Melian Cabrera, Ignacio V.; Heeres, Erik H.J.; Kapteijn, F.; Makkee, Michiel

2014-01-01

Drastic improvements in styrene yield and selectivity were achieved in the oxidative dehydrogenation of ethylbenzene by staged feeding of O-2. Six isothermal packed bed reactors were used in series with intermediate feeding of O-2, while all EB was fed to the first reactor, diluted with helium or

Money distribution with intermediation

OpenAIRE

Teles, Caio Augusto Colnago

2013-01-01

This pap er analyzes the distribution of money holdings in a commo dity money search-based mo del with intermediation. Intro ducing heterogeneity of costs to the Kiyotaki e Wright ( 1989 ) mo del, Cavalcanti e Puzzello ( 2010) gives rise to a non-degenerated distribution of money. We extend further this mo del intro ducing intermediation in the trading pro cess. We show that the distribution of money matters for savings decisions. This gives rises to a xed p oint problem for the ...

Layered perovskite PrBa0.5Sr0.5CoCuO5+δ as a cathode for intermediate-temperature solid oxide fuel cells

International Nuclear Information System (INIS)

Wang, Biao; Long, Guohui; Ji, Yuan; Pang, Mingjun; Meng, Xiangwei

2014-01-01

Highlights: • A single-phase layered-perovskite PrBa 0.5 Sr 0.5 CoCuO 5+δ (PBSCCu) is prepared by the EDTA–citrate complexing method. • PBSCCu cathode has a good chemical compatible with GDC electrolyte. • Partial substitution of Cu for Co can efficiently lower the thermal expansion coefficient. • Performances of PrBa 0.5 Sr 0.5 CoCuO 5+δ cathode based on Gd 0.1 Ce 0.9 O 1.95 electrolyte is reported firstly. - Abstract: Layered perovskite PrBa 0.5 Sr 0.5 CoCuO 5+δ (PBSCCo) oxide is synthesized by EDTA–citrate complexing method and investigated as a novel cathode material for intermediate-temperature solid oxide fuel cells (IT-SOFCs). X-ray diffraction results show that PBSCCo is chemical compatible with Gd 0.1 Ce 0.9 O 1.95 (GDC) electrolyte below 950 °C. The thermal expansion coefficient of PBSCCo is 17.58 × 10 −6 K −1 between 30 °C and 900 °C. The maximum electrical conductivity of PBSCCo is 483 S cm −1 at 325 °C. The polarization resistance of PBSCCo cathode on GDC electrolyte is as low as 0.06 Ω cm 2 at 800 °C. The maximum power density of the electrolyte-supported single cell with PBSCCo cathode achieves 521 mW cm −2 at 800 °C. Preliminary results indicate that PBSCCo is a potential cathode material for application in IT-SOFCs

Photocatalytic oxidation of polycyclic aromatic hydrocarbons: Intermediates identification and toxicity testing

International Nuclear Information System (INIS)

Woo, O.T.; Chung, W.K.; Wong, K.H.; Chow, Alex T.; Wong, P.K.

2009-01-01

Polycyclic aromatic hydrocarbons (PAHs) are hydrophobic pollutants and their low water solubility limits their degradation in aqueous solution. The presence of water-miscible solvent such as acetone can increase the water solubility of PAHs, however acetone will also affect the degradation of PAH. In this study the effects of acetone on the photocatalytic degradation efficiency and pathways of 5 selected PAHs, namely naphthalene (2 rings), acenaphthylene (3 rings), phenanthrene (3 rings), anthracene (3 rings) and benzo[a]anthracene (4 rings) were investigated. The Microtox toxicity test was used to determine whether the PCO system can completely detoxify the parental PAHs and its intermediates. The addition of 16% acetone can greatly alter the degradation pathway of naphthalene and anthracene. Based on intermediates identified from degradation of the 5 PAHs, the location of parental PAHs attacked by reactive free radicals can be correlated with the localization energies of different positions of the compound. For toxicity analysis, irradiation by UV light was found to induce acute toxicity by generating intermediates/degradation products from PAHs and possibly acetone. Lastly, all PAHs (10 mg l -1 ) can be completely detoxified by titanium dioxide (100 mg l -1 ) within 24 h under UVA irradiation (3.9 mW cm -2 ).

Search for intermediate vector bosons

International Nuclear Information System (INIS)

Klajn, D.B.; Rubbia, K.; Meer, S.

1983-01-01

Problem of registration and search for intermediate vector bosons is discussed. According to weak-current theory there are three intermediate vector bosons with +1(W + )-1(W - ) and zero (Z 0 ) electric charges. It was suggested to conduct the investigation into particles in 1976 by cline, Rubbia and Makintair using proton-antiproton beams. Major difficulties of the experiment are related to the necessity of formation of sufficient amount of antiparticles and the method of antiproton beam ''cooling'' for the purpose of reduction of its random movements. The stochastic method was suggested by van der Meer in 1968 as one of possible cooling methods. Several large detectors were designed for searching intermediate vector bosons

Validation of intermediate end points in cancer research.

Science.gov (United States)

Schatzkin, A; Freedman, L S; Schiffman, M H; Dawsey, S M

1990-11-21

Investigations using intermediate end points as cancer surrogates are quicker, smaller, and less expensive than studies that use malignancy as the end point. We present a strategy for determining whether a given biomarker is a valid intermediate end point between an exposure and incidence of cancer. Candidate intermediate end points may be selected from case series, ecologic studies, and animal experiments. Prospective cohort and sometimes case-control studies may be used to quantify the intermediate end point-cancer association. The most appropriate measure of this association is the attributable proportion. The intermediate end point is a valid cancer surrogate if the attributable proportion is close to 1.0, but not if it is close to 0. Usually, the attributable proportion is close to neither 1.0 nor 0; in this case, valid surrogacy requires that the intermediate end point mediate an established exposure-cancer relation. This would in turn imply that the exposure effect would vanish if adjusted for the intermediate end point. We discuss the relative advantages of intervention and observational studies for the validation of intermediate end points. This validation strategy also may be applied to intermediate end points for adverse reproductive outcomes and chronic diseases other than cancer.

Biocatalytic Synthesis of Chiral Pharmaceutical Intermediates

Directory of Open Access Journals (Sweden)

Ramesh N. Patel

2004-01-01

Full Text Available The production of single enantiomers of drug intermediates has become increasingly important in the pharmaceutical industry. Chiral intermediates and fine chemicals are in high demand from both the pharmaceutical and agrochemical industries for the preparation of bulk drug substances and agricultural products. The enormous potential of microorganisms and enzymes for the transformation of synthetic chemicals with high chemo-, regio- and enantioselectivities has been demonstrated. In this article, biocatalytic processes are described for the synthesis of chiral pharmaceutical intermediates.

Influence of *OH adsorbates on the potentiodynamics of the CO₂ generation during the electro-oxidation of ethanol

Energy Technology Data Exchange (ETDEWEB)

Yang, Guangxing; Namin, Lida M.; Aaron Deskins, N.; Teng, Xiaowei

2017-09-01

Direct ethanol fuel cells (DEFCs) are a promising technology for the generation of electricity via the direct conversion of ethanol into CO₂, showing higher thermodynamic efficiency and volumetric energy density than hydrogen fuel cells. However, implementation of DEFCs is hampered by the low CO₂ selectivity during the ethanol oxidation reaction (EOR). Comprehensive understanding of the electro-kinetics and reaction pathways of CO₂ generation via CC bond-breaking is not only a fundamental question for electro-catalysis, but also a key technological challenge since practical implementation of DEFC technology is contingent on its ability to selectively oxidize ethanol into CO₂ to achieve exceptional energy density through 12-electron transfer reaction. Here, we present comprehensive in situ potentiodynamics studies of CO₂ generation during the EOR on Pt, Pt/SnO₂ and Pt/Rh/SnO₂ catalysts using a house-made electrochemical cell equipped with a CO₂ microelectrode. Highly sensitive CO₂ measurements enable the real time detection of the partial pressure of CO₂ during linear sweep voltammetry measurements, through which electro-kinetics details of CO₂ generation can be obtained. In situ CO₂ measurements provide the mechanistic understanding of potentiodynamics of the EOR, particularly the influence of *OH adsorbates on CO₂ generation rate and selectivity. Density functional theory (DFT) simulations of Pt, Pt/SnO₂, and Pt/Rh/SnO₂ surfaces clarify reaction details over these catalysts. Our results show that at low potentials, inadequate *OH adsorbates impair the removal of reaction intermediates, and thus Pt/Rh/SnO₂ exhibited the best performance toward CO₂ generation, while at high potentials, Rh sites were overwhelmingly occupied (poisoned) by *OH adsorbates, and thus Pt/SnO₂

The Metallicity Evolution of Blue Compact Dwarf Galaxies from the Intermediate Redshift to the Local Universe

Science.gov (United States)

Lian, Jianhui; Hu, Ning; Fang, Guanwen; Ye, Chengyun; Kong, Xu

2016-03-01

We present oxygen abundance measurements for 74 blue compact dwarf (BCD) galaxies in the redshift range of [0.2, 0.5] using the strong-line method. The spectra of these objects are taken using Hectospec on the Multiple Mirror Telescope. More than half of these BCDs had dust attenuation corrected using the Balmer decrement method. For comparison, we also selected a sample of 2023 local BCDs from the Sloan Digital Sky Survey (SDSS) database. Based on the local and intermediate-z BCD samples, we investigated the cosmic evolution of the metallicity, star formation rate (SFR), and Dn(4000) index. Compared with local BCDs, the intermediate-z BCDs had a systematically higher R23 ratio but a similar O32 ratio. Interestingly, no significant deviation in the mass-metallicity (MZ) relation was found between the intermediate-z and local BCDs. Besides the metallicity, the intermediate-z BCDs also exhibited an SFR distribution that was consistent with local BCDs, suggesting a weak dependence on redshift. The intermediate-z BCDs seemed to be younger than the local BCDs with lower Dn(4000) index values. The insignificant deviation in the mass-metallicity and mass-SFR relations between intermediate-z and local BCDs indicates that the relations between the global parameters of low-mass compact galaxies may be universal. These results from low-mass compact galaxies could be used to place important observational constraints on galaxy formation and evolution models.

THE METALLICITY EVOLUTION OF BLUE COMPACT DWARF GALAXIES FROM THE INTERMEDIATE REDSHIFT TO THE LOCAL UNIVERSE

International Nuclear Information System (INIS)

Lian, Jianhui; Hu, Ning; Ye, Chengyun; Kong, Xu; Fang, Guanwen

2016-01-01

We present oxygen abundance measurements for 74 blue compact dwarf (BCD) galaxies in the redshift range of [0.2, 0.5] using the strong-line method. The spectra of these objects are taken using Hectospec on the Multiple Mirror Telescope. More than half of these BCDs had dust attenuation corrected using the Balmer decrement method. For comparison, we also selected a sample of 2023 local BCDs from the Sloan Digital Sky Survey (SDSS) database. Based on the local and intermediate-z BCD samples, we investigated the cosmic evolution of the metallicity, star formation rate (SFR), and D n (4000) index. Compared with local BCDs, the intermediate-z BCDs had a systematically higher R23 ratio but a similar O32 ratio. Interestingly, no significant deviation in the mass–metallicity (MZ) relation was found between the intermediate-z and local BCDs. Besides the metallicity, the intermediate-z BCDs also exhibited an SFR distribution that was consistent with local BCDs, suggesting a weak dependence on redshift. The intermediate-z BCDs seemed to be younger than the local BCDs with lower D n (4000) index values. The insignificant deviation in the mass–metallicity and mass–SFR relations between intermediate-z and local BCDs indicates that the relations between the global parameters of low-mass compact galaxies may be universal. These results from low-mass compact galaxies could be used to place important observational constraints on galaxy formation and evolution models

THE METALLICITY EVOLUTION OF BLUE COMPACT DWARF GALAXIES FROM THE INTERMEDIATE REDSHIFT TO THE LOCAL UNIVERSE

Energy Technology Data Exchange (ETDEWEB)

Lian, Jianhui; Hu, Ning; Ye, Chengyun; Kong, Xu [CAS Key Laboratory for Research in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, Anhui 230026 (China); Fang, Guanwen, E-mail: ljhhw@mail.ustc.edu.cn, E-mail: xkong@ustc.edu.cn [Institute for Astronomy and History of Science and Technology, Dali University, Dali 671003 (China)

2016-03-01

We present oxygen abundance measurements for 74 blue compact dwarf (BCD) galaxies in the redshift range of [0.2, 0.5] using the strong-line method. The spectra of these objects are taken using Hectospec on the Multiple Mirror Telescope. More than half of these BCDs had dust attenuation corrected using the Balmer decrement method. For comparison, we also selected a sample of 2023 local BCDs from the Sloan Digital Sky Survey (SDSS) database. Based on the local and intermediate-z BCD samples, we investigated the cosmic evolution of the metallicity, star formation rate (SFR), and D{sub n}(4000) index. Compared with local BCDs, the intermediate-z BCDs had a systematically higher R23 ratio but a similar O32 ratio. Interestingly, no significant deviation in the mass–metallicity (MZ) relation was found between the intermediate-z and local BCDs. Besides the metallicity, the intermediate-z BCDs also exhibited an SFR distribution that was consistent with local BCDs, suggesting a weak dependence on redshift. The intermediate-z BCDs seemed to be younger than the local BCDs with lower D{sub n}(4000) index values. The insignificant deviation in the mass–metallicity and mass–SFR relations between intermediate-z and local BCDs indicates that the relations between the global parameters of low-mass compact galaxies may be universal. These results from low-mass compact galaxies could be used to place important observational constraints on galaxy formation and evolution models.

Simplifying biochemical models with intermediate species

DEFF Research Database (Denmark)

Feliu, Elisenda; Wiuf, Carsten

2013-01-01

techniques, we study systematically the effects of intermediate, or transient, species in biochemical systems and provide a simple, yet rigorous mathematical classification of all models obtained from a core model by including intermediates. Main examples include enzymatic and post-translational modification...... systems, where intermediates often are considered insignificant and neglected in a model, or they are not included because we are unaware of their existence. All possible models obtained from the core model are classified into a finite number of classes. Each class is defined by a mathematically simple...... canonical model that characterizes crucial dynamical properties, such as mono- and multistationarity and stability of steady states, of all models in the class. We show that if the core model does not have conservation laws, then the introduction of intermediates does not change the steady...

Fabrication of A/R-TiO2 composite for enhanced photoelectrochemical performance: Solar hydrogen generation and dye degradation

Science.gov (United States)

Mahadik, Mahadeo A.; An, Gil Woo; David, Selvaraj; Choi, Sun Hee; Cho, Min; Jang, Jum Suk

2017-12-01

Anatase/rutile TiO2 nanorods composites were prepared by a facile hydrothermal method followed by dip coating method using titanium isopropoxide in acetic acid and ethanol solvent. The effects of the titanium isopropoxide precursor concentration, on the formation of dip coated anatase/rutile TiO2 nanorods composite were systematically explored. The growth of anatase on rutile TiO2 nanorods can be controlled by varying the titanium isopropoxide concentration. The morphological study reveals that anatase TiO2 nanograins formed on the surface of rutile TiO2 nanorod arrays through dip coating method. Photoelectrochemical analyses showed that the enhancement of the photocatalytic activities of the samples is affected by the anatase nanograins present on the rutile TiO2 nanorods, which can induce the separation of electrons and holes. To interpret the photoelectrochemical behaviors, the prepared photoelectrodes were applied in photoelectrochemical solar hydrogen generation and orange II dye degradation. The optimized photocurrent density of 1.8 mA cm-2 and the 625 μmol hydrogen generation was observed for 10 mM anatase/rutile TiO2 NRs composites. Additionally, 96% removal of the orange II dye was achieved within 5 h during oxidative degradation under solar light irradiation. One of the benefits of high specific surface area and the efficient photogenerated charge transport in the anatase/rutile TiO2 nanorod composite improves the photoelectrochemical hydrogen generation and orange dye degradation compared to the rutile TiO2. Thus, our strategy provides a promising, stable, and low cost alternative to existing photocatalysts and is expected to attract considerable attention for industrial applications.

Reactions of stabilized Criegee Intermediates

Science.gov (United States)

Vereecken, Luc; Harder, Hartwig; Novelli, Anna

2014-05-01

Carbonyl oxides (Criegee intermediates) were proposed as key intermediates in the gas phase ozonolysis of alkenes in 1975 by Rudolf Criegee. Despite the importance of ozonolysis in atmospheric chemistry, direct observation of these intermediates remained elusive, with only indirect experimental evidence for their role in the oxidation of hydrocarbons, e.g. through scavenging experiments. Direct experimental observation of stabilized CI has only been achieved since 2008. Since then, a concerted effort using experimental and theoretical means is in motion to characterize the chemistry and kinetics of these reactive intermediates. We present the results of theoretical investigations of the chemistry of Criegee intermediates with a series of coreactants which may be of importance in the atmosphere, in experimental setups, or both. This includes the CI+CI cross-reaction, which proceeds with a rate coefficient near the collision limit and can be important in experimental conditions. The CI + alkene reactions show strong dependence of the rate coefficient depending on the coreactants, but is generally found to be rather slow. The CI + ozone reaction is sufficiently fast to occur both in experiment and the free troposphere, and acts as a sink for CI. The reaction of CI with hydroperoxides, ROOH, is complex, and leads both to the formation of oligomers, as to the formation of reactive etheroxides, with a moderately fast rate coefficient. The importance of these reactions is placed in the context of the reaction conditions in different atmospheric environments ranging from unpolluted to highly polluted.

Solvothermal syntheses of Bi and Zn co-doped TiO_2 with enhanced electron-hole separation and efficient photodegradation of gaseous toluene under visible-light

International Nuclear Information System (INIS)

Li, Juan-Juan; Cai, Song-Cai; Xu, Zhen; Chen, Xi; Chen, Jin; Jia, Hong-Peng; Chen, Jing

2017-01-01

Highlights: • Bi-Zn co-doped TiO_2 catalysts were prepared by solvothermal route. • The incorporation of Bi doping into the TiO_2 generates intermediate energy levels. • Bi and Zn doping showed the enhanced absorption in visible-light region. • Zn dopant acts as a mediator of interfacial charge transfer. • TiBi_1_._9_%Zn_1_%O_2 exhibited high photocatalytic degradation for toluene. - Abstract: This study investigated the effects of Bi doped and Bi-Zn co-doped TiO_2 on photodegradation of gaseous toluene. The doped TiO_2 with various concentration of metal was prepared using the solvothermal route and characterized by SEM, XRD, Raman, BET, DRS, XPS, PL and EPR. Their photocatalytic activities under visible-light irradiation were drastically influenced by the dopant content. The results showed that moderate metal doping levels were obviously beneficial for the toluene degradation, while high doping levels suppressed the photocatalytic activity. The photocatalytic degradation of toluene over TiBi_1_._9_%O_2 and TiBi_1_._9_%Zn_1_%O_2 can reach to 51% and 93%, respectively, which are much higher than 25% of TiO_2. Bi doping into TiO_2 lattice generates new intermediate energy level of Bi below the CB edge of TiO_2. The electron excitation from the VB to Bi orbitals results in the decreased band gap, extended absorption of visible-light and thus enhances its photocatalytic efficiency. Zn doping not only further enhances the absorption in this visible-light region, but also Zn dopant exists as the form of ZnO crystallites located on the interfaces of TiO_2 agglomerates and acts as a mediator of interfacial charge transfer to suppress the electron-hole recombination. These synergistic effects are responsible for the enhanced photocatalytic performance.

Synthesis and Characterization of Cu- and Co-Doped Bi4V2O11 for Intermediate-Temperature Solid Oxide Fuel Cell Electrolytes by Carbonate Coprecipitation

Science.gov (United States)

Lee, Jin Goo; Yoon, Hyon Hee

2011-01-01

Bi2MexV1-xO5.5-3x/2 (Me = Cu; 0≤x≤0.2) powders were prepared by the ammonium carbonate coprecipitation method. The starting salts were bismuth nitrate, copper nitrate, cobalt nitrate, and vanadium sulphate. The thermal decomposition of Bi2MexV1-xO5.5-3x/2 precursors was completed at about 500 °C. The crystallite structure, surface morphology, and ionic conductivity of the prepared powders and pellets were examined using X-ray diffractometry, field emission scanning electron microscopy, and an impedance analyzer, respectively. The average particle sizes of the Bi2Cu0.1V0.9O5.35 and Bi2Co0.1V0.9O5.35 powders were 10-50 nm. The tetragonal structure (γ-phase) appeared at sintering temperatures higher than 700 °C and the peak intensity increased at higher sintering temperatures. The ionic conductivities of the Bi2Cu0.1V0.9O5.35 and Bi2Co0.1V0.9O5.35 pellets sintered at 800 °C showed the highest values of 6.8×10-2 S cm-1 at 700 °C and 9.1×10-2 S cm-1 at 700 °C, respectively. The optimum concentration of the Cu and Co dopants in Bi2MexV1-xO5.5-3x/2 was determined to be 0.1. The results of this study demonstrated that the ammonium carbonate coprecipitation process could be used as an economical method for the preparation of Bi2MexV1-xO5.5-3x/2 electrolytes for intermediate-temperature solid oxide fuel cells.

Nitrile hydration by thiolate- and alkoxide-ligated Co-NHase analogues. Isolation of Co(III)-amidate and Co(III)-iminol intermediates.

Science.gov (United States)

Swartz, Rodney D; Coggins, Michael K; Kaminsky, Werner; Kovacs, Julie A

2011-03-23

Nitrile hydratases (NHases) are thiolate-ligated Fe(III)- or Co(III)-containing enzymes, which convert nitriles to the corresponding amide under mild conditions. Proposed NHase mechanisms involve M(III)-NCR, M(III)-OH, M(III)-iminol, and M(III)-amide intermediates. There have been no reported crystallographically characterized examples of these key intermediates. Spectroscopic and kinetic data support the involvement of a M(III)-NCR intermediate. A H-bonding network facilitates this enzymatic reaction. Herein we describe two biomimetic Co(III)-NHase analogues that hydrate MeCN, and four crystallographically characterized NHase intermediate analogues, [Co(III)(S(Me2)N(4)(tren))(MeCN)](2+) (1), [Co(III)(S(Me2)N(4)(tren))(OH)](+) (3), [Co(III)(S(Me2)N(4)(tren))(NHC(O)CH(3))](+) (2), and [Co(III)(O(Me2)N(4)(tren))(NHC(OH)CH(3))](2+) (5). Iminol-bound 5 represents the first example of a Co(III)-iminol compound in any ligand environment. Kinetic parameters (k(1)(298 K) = 2.98(5) M(-1) s(-1), ΔH(‡) = 12.65(3) kcal/mol, ΔS(‡) = -14(7) e.u.) for nitrile hydration by 1 are reported, and the activation energy E(a) = 13.2 kcal/mol is compared with that (E(a) = 5.5 kcal/mol) of the NHase enzyme. A mechanism involving initial exchange of the bound MeCN for OH- is ruled out by the fact that nitrile exchange from 1 (k(ex)(300 K) = 7.3(1) × 10(-3) s(-1)) is 2 orders of magnitude slower than nitrile hydration, and that hydroxide bound 3 does not promote nitrile hydration. Reactivity of an analogue that incorporates an alkoxide as a mimic of the highly conserved NHase serine residue shows that this moiety facilitates nitrile hydration under milder conditions. Hydrogen-bonding to the alkoxide stabilizes a Co(III)-iminol intermediate. Comparison of the thiolate versus alkoxide intermediate structures shows that C≡N bond activation and C═O bond formation proceed further along the reaction coordinate when a thiolate is incorporated into the coordination sphere.

The intermediate endpoint effect in logistic and probit regression

Science.gov (United States)

MacKinnon, DP; Lockwood, CM; Brown, CH; Wang, W; Hoffman, JM

2010-01-01

Background An intermediate endpoint is hypothesized to be in the middle of the causal sequence relating an independent variable to a dependent variable. The intermediate variable is also called a surrogate or mediating variable and the corresponding effect is called the mediated, surrogate endpoint, or intermediate endpoint effect. Clinical studies are often designed to change an intermediate or surrogate endpoint and through this intermediate change influence the ultimate endpoint. In many intermediate endpoint clinical studies the dependent variable is binary, and logistic or probit regression is used. Purpose The purpose of this study is to describe a limitation of a widely used approach to assessing intermediate endpoint effects and to propose an alternative method, based on products of coefficients, that yields more accurate results. Methods The intermediate endpoint model for a binary outcome is described for a true binary outcome and for a dichotomization of a latent continuous outcome. Plots of true values and a simulation study are used to evaluate the different methods. Results Distorted estimates of the intermediate endpoint effect and incorrect conclusions can result from the application of widely used methods to assess the intermediate endpoint effect. The same problem occurs for the proportion of an effect explained by an intermediate endpoint, which has been suggested as a useful measure for identifying intermediate endpoints. A solution to this problem is given based on the relationship between latent variable modeling and logistic or probit regression. Limitations More complicated intermediate variable models are not addressed in the study, although the methods described in the article can be extended to these more complicated models. Conclusions Researchers are encouraged to use an intermediate endpoint method based on the product of regression coefficients. A common method based on difference in coefficient methods can lead to distorted

Oxidation of a [Cu2S] complex by N2O and CO2: insights into a role of tetranuclearity in the CuZ site of nitrous oxide reductase.

Science.gov (United States)

Bagherzadeh, Sharareh; Mankad, Neal P

2018-01-25

Oxidation of a [Cu 2 (μ-S)] complex by N 2 O or CO 2 generated a [Cu 2 (μ-SO 4 )] product. In the presence of a sulfur trap, a [Cu 2 (μ-O)] species also formed from N 2 O. A [Cu 2 (μ-CS 3 )] species derived from CS 2 modeled initial reaction intermediates. These observations indicate that one role of tetranuclearity in the Cu Z catalytic site of nitrous oxide reductase is to protect the crucial S 2- ligand from oxidation.

Bacillus anthracis o-succinylbenzoyl-CoA synthetase: reaction kinetics and a novel inhibitor mimicking its reaction intermediate †

Science.gov (United States)

Tian, Yang; Suk, Dae-Hwan; Cai, Feng; Crich, David; Mesecar, Andrew D.

2009-01-01

O-succinylbenzoyl-CoA (OSB-CoA) synthetase (EC 6.2.1.26) catalyzes the ATP-dependent condensation of o-succinylbenzoate (OSB) and CoA to form OSB-CoA, the fourth step of the menaquinone biosynthetic pathway in Bacillus anthracis. Gene knockout studies have highlighted this enzyme as a potential target for the discovery of new antibiotics. Here we report the first studies on the kinetic mechanism of B. anthracis OSB-CoA synthetase, classifying it as an ordered Bi Uni Uni Bi ping-pong mechanism. Through a series of pre-steady-state and steady-state kinetic studies in conjunction with direct-binding studies, it is demonstrated that CoA, the last substrate to bind, strongly activates the first half-reaction after the first round of turnover. The activation of the first-half reaction is most likely achieved by CoA stabilizing conformations of the enzyme in the ‘F’ form, which slowly isomerize back to the E form. Thus, the kinetic mechanism of OSB-CoA synthetase may be more accurately described as an ordered Bi Uni Uni Bi Iso ping-pong mechanism. The substrate specificity of OSB-CoA synthetase was probed using a series of OSB analogs with alterations in the carboxylate groups. OSB-CoA shows a strong preference for OSB over all of the analogs tested as none were active except 4-(2-trifluoromethylphenyl)-4-oxobutyric acid which exhibited a 100-fold decrease in kcat/Km. Based on an understanding of OSB-CoA synthetase’s kinetic mechanism and substrate specificity, a reaction intermediate analog of OSB-AMP, 5’-O-(N-(2-trifluoromethylphenyl)-4-oxobutyl) adenosine sulfonamide (TFMP-butyl-AMS), was designed and synthesized. This inhibitor was found to be an uncompetitive inhibitor to CoA and a mixed-type inhibitor to ATP and OSB with low micromolar inhibition constants. Collectively, these results should serve as an important forerunner to more detailed and extensive inhibitor design studies aimed at developing lead compounds against the OSB-CoA synthetase class of

Evidence of an Intermediate Phase in bulk alloy oxide glass sysem

Science.gov (United States)

Chakraborty, S.; Boolchand, P.

2011-03-01

Reversibility windows have been observed in modified oxides (alkali-silicates and -germanates) and identified with Intermediate Phases(IPs). Here we find preliminary evidence of an IP in a ternary oxide glass, (B2 O3)5 (Te O2)95-x (V2O5)x , which is composed of network formers. Bulk glasses are synthesized across the 18% x 35 % composition range, and examined in Raman scattering, modulated DSC and molar volume experiments. Glass transition temperatures Tg (x) steadily decrease with V2O5 content x, and reveal the enthalpy of relaxation at Tg to show a global minimum in the 24% x < 27 range, the reversibility window (IP). Molar volumes reveal a minimum in this window. Raman scattering reveals a Boson mode, and at least six other vibrational bands in the 100cm-1 < ν < 1700cm-1 range. Compositional trends in vibrational mode strengths and frequency are established. These results will be presented in relation to glass structure evolution with vanadia content and the underlying elastic phases. Supported by NSF grant DMR 08-53957.

Chemical intermediate detection following corona discharge on volatile organic compounds: general method using molecular beam techniques

International Nuclear Information System (INIS)

He Luning; Sulkes, Mark

2011-01-01

Nonthermal plasma (NTP)-based treatments of volatile organic compounds (VOCs) have potential for effective environmental remediation. Theory and experiment that consider the basic science pertaining to discharge events have helped improve NTP remediation outcomes. If direct information on early post-discharge chemical intermediates were also available, it would likely lead to additional improvement in NTP remediation outcomes. To this point, however, experiments yielding direct information on post-NTP VOC intermediates have been limited. An approach using supersonic expansion molecular beam methods offers general promise for detection of post-discharge VOC intermediates. To illustrate the potential utility of these methods, we present mass spectra showing the growth of early products formed when pulsed corona discharges were carried out on toluene in He and then in He with added O 2 . Good general detection of neutral post-discharge species was obtained using 800 nm 150 fs photoionization pulses.

Reactions and reaction intermediates on iron surfaces--1. Methanol, ethanol, and isopropanol on Fe(100). 2. Hydrocarbons and carboxylic acids

Energy Technology Data Exchange (ETDEWEB)

Benziger, J.B.; Madix, R.J.

1980-09-01

Temperature-programed desorption and ESCA showed that the alcohols formed alkoxy intermediates on Fe(100) surfaces at room temperature, but that the methoxy and ethoxy species were much more stable than the isopropoxy intermediate. The alkoxy species reacted above 400/sup 0/K by decomposing into carbon monoxide and hydrogen, hydrogenation to alcohol, and scission of C-C and C-O bonds with hydrogenation of the hydrocarbon fragments. Ethylene, acetylene, and cis-2-butene formed stable, unidentified surface species. Methyl chloride formed stable surface methyl groups which decomposed into hydrogen and surface carbide at 475/sup 0/K. Formic and acetic acids yielded stable carboxylate intermediates which decomposed above 490/sup 0/K to hydrogen, carbon monoxide, and carbon dioxide. The studies suggested that the alkoxy surface species may be important intermediates in the Fischer-Tropsch reaction on iron.

Removal of NO2 and O3 generated from corona discharge in indoor air cleaning with MnO2 catalyst

International Nuclear Information System (INIS)

Ge, H; Yu, R; Zhu, Y M; Mi, D

2013-01-01

The production rules and removal efficiency of harmful byproducts such as NO 2 and O 3 generated from DC corona discharge in indoor air cleaning were investigated. The production behaviours of NO 2 and O 3 and the relationship between the amount of catalyst (MnO 2 ) and the removal rate of harmful byproducts were experimentally studied. Further, indoor application tests were carried out in a closed room with 90 m 3 . The results showed that the concentrations of NO 2 and O 3 produced by corona discharge linearly increased with discharge time. The NO 2 yield is larger than O 3 by almost one order of magnitude under the same discharge power. To satisfy the demand of Standard of Indoor Air Quality (GB/T18883-2002), the power consumption of unit volume should be less than 1 W m −3 and the catalyst MnO 2 consumptions in positive-negative corona discharge were 200 cm 3 W −1 and 100 cm 3 W −1 , respectively.

Classification of H2O2 as a Neuromodulator that Regulates Striatal Dopamine Release on a Subsecond Time Scale

Science.gov (United States)

2012-01-01

Here we review evidence that the reactive oxygen species, hydrogen peroxide (H2O2), meets the criteria for classification as a neuromodulator through its effects on striatal dopamine (DA) release. This evidence was obtained using fast-scan cyclic voltammetry to detect evoked DA release in striatal slices, along with whole-cell and fluorescence imaging to monitor cellular activity and H2O2 generation in striatal medium spiny neurons (MSNs). The data show that (1) exogenous H2O2 suppresses DA release in dorsal striatum and nucleus accumbens shell and the same effect is seen with elevation of endogenous H2O2 levels; (2) H2O2 is generated downstream from glutamatergic AMPA receptor activation in MSNs, but not DA axons; (3) generation of modulatory H2O2 is activity dependent; (4) H2O2 generated in MSNs diffuses to DA axons to cause transient DA release suppression by activating ATP-sensitive K+ (KATP) channels on DA axons; and (5) the amplitude of H2O2-dependent inhibition of DA release is attenuated by enzymatic degradation of H2O2, but the subsecond time course is determined by H2O2 diffusion rate and/or KATP-channel kinetics. In the dorsal striatum, neuromodulatory H2O2 is an intermediate in the regulation of DA release by the classical neurotransmitters glutamate and GABA, as well as other neuromodulators, including cannabinoids. However, modulatory actions of H2O2 occur in other regions and cell types, as well, consistent with the widespread expression of KATP and other H2O2-sensitive channels throughout the CNS. PMID:23259034

An intermediate state of T7 RNA polymerase provides another pathway of nucleotide selection

International Nuclear Information System (INIS)

Wang Zhan-Feng; Liu Yu-Ru; Wang Peng-Ye; Xie Ping

2017-01-01

Phage T7 RNA polymerase is a single-subunit transcription enzyme, transcribing template DNA to RNA. Nucleoside triphosphate (NTP) selection and translocation are two critical steps of the transcription elongation. Here, using all-atom molecular dynamics simulations, we found that between pre- and post-translocation states of T7 RNA polymerase an intermediate state exists, where the O helix C-terminal residue tyrosine 639, which plays important roles in translocation, locates between its pre- and post-translocation positions and the side chain of the next template DNA nucleotide has moved into the active site. NTP selection in this intermediate state was studied, revealing that the selection in the intermediate state can be achieved relying on the effect of Watson–Crick interaction between NTP and template DNA nucleotide, effect of stability of the components near the active site such as the nascent DNA–RNA hybrid and role of tyrosine 639. This indicates that another NTP-selection pathway can also exist besides the main pathway where NTP selection begins at the post-translocation state upon the entry of NTP. (paper)

Anaerobic stabilization and conversion of transformed intermediates of antibiotic pharmaceutical effluent in a fluidized bed reactor.

Science.gov (United States)

Tamijevendane, S; Saravanane, R; Rajesh, R; Sivacoumar, R

2011-07-01

The formulation and implementation of regulatory standards for the ultimate disposal and reuse of transformed products of antibiotic drugs and solvents have been a pending issue in the waste management of pharmaceutical industries especially in the developing countries like India. A case study has been identified and the current issues in one of the major pharmaceutical industry (manufacturing cephalosporin drugs) located in Chennai, India, has been discussed for the possible implementation of anaerobically transformed intermediates of antibiotic pharmaceutical waste sludge. The objective of the study was to determine the effect of bioaugmentation on the convertibility of anaerobically transformed intermediates of antibiotic pharmaceutical waste sludge into residuals and biocompost. Cephalosporin is a common name refers to cephradine (C16H19N3O4S) and cephalexin (C16H17N3O4S.H2O). Based on the critical examination of results, the industry is looking for the alternatives of either direct disposal of 7-amino-3-deacetoxycephalosporanic acid (7-ADCA) and phenyl acetic acid or for further degradation and disposal, which will essentially require additional cost and maintenance. The present regulatory standard implemented in India does not envisage such disposal alternatives and hence this would invite suggestions and recommendations of the expertise for the possible implementation on the pending issue in the antibiotic based pharmaceutical industries. The presence of cephalosporin increases total strength (Chemical Oxygen Demand) of the effluent and indirectly increases the cost of the treatment. Hence the biotransformation of cephalosporin either alone or in combination with other energetic compounds, offers the potential for an economical and environment friendly disposal alternative for the anaerobically transformed intermediates of antibiotic pharmaceutical waste sludge.

Padrões de geração de viagens e mobilidade urbana sustentável

Directory of Open Access Journals (Sweden)

Marcelo Tadeu Mancini

2010-11-01

Full Text Available

Resumo: O objetivo deste trabalho é apontar ações de planejamento urbano e de transportes que sirvam para orientar gestores e técnicos no sentido de alcançar padrões de geração de viagens que conduzam à mobilidade sustentável. A pesquisa baseia-se em um método de previsão de implementação de ações através de cenários, cuja avaliação é conduzida com auxílio do Índice de Mobilidade Urbana Sustentável (IMUS. A partir de um cenário piloto, alguns resultados foram obtidos e são aqui apresentados e analisados. A maior efetividade de mudança ocorreu com a aplicação de ações de influência média e indiretas na Geração de Viagens Sustentáveis (GVS, e com mínimo e médio graus de dificuldade, que podem alterar o valor do IMUS em cerca de 24 %. Estas ações, por sua clara facilidade de implementação e efetividade, podem ser priorizadas como o início de um plano de mudança nas características das viagens sustentáveis.

Abstract: The aim of this work is to indicate actions in urban and transportation planning that are suitable to guide the decisions of managers and technicians towards standards of trip generation conducting to sustainable mobility. The study is based on a method for predicting the implementation of actions through scenarios. Their assessment is subsequently done with the Index of Sustainable Urban Mobility (I_SUM. The outcomes of a pilot study are presented and analyzed. The most effective changes were produced with the application of actions of intermediate and indirect influence on the so-called Sustainable Trip Generation, and also of minimum and intermediate level of difficulty for implementation. They can positively change the value of I_SUM in about 24 %. As they are effective and easy to implement, these actions can be a starting point of a plan for making the characteristics of the trips more sustainable.

Dispersion and guidance characteristics of microstructured 68TeO2 - 22WO3 - 8La2O3 - 2Bi2O3 glass fibres for supercontinuum generation

International Nuclear Information System (INIS)

Yatsenko, Yu P; Nazaryants, V O; Kosolapov, A F; Astapovich, M S; Plotnichenko, V G; Dianov, Evgenii M; Moiseev, A N; Churbanov, M F; Dorofeev, V V; Chilyasov, A V; Snopatin, G E

2010-01-01

We report the preparation of a high-purity optical-quality four-component glass of composition 68TeO 2 - 22WO 3 - 8La 2 O 3 - 2Bi 2 O 3 , containing (2.7±0.5)x10 -5 mol % OH groups. Its refractive index has been determined in the range 0.9 - 5.45 μm using interference refractometry. The data are used to assess the dispersion and guidance characteristics of microstructured optical fibres potentially attractive for supercontinuum generation in the range 1 - 5 μm (optical fibres)

MCNP6 Simulation of Light and Medium Nuclei Fragmentation at Intermediate Energies

Energy Technology Data Exchange (ETDEWEB)

Mashnik, Stepan Georgievich [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kerby, Leslie Marie [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of Idaho, Moscow, ID (United States)

2015-08-24

Fragmentation reactions induced on light and medium nuclei by protons and light nuclei of energies around 1 GeV/nucleon and below are studied with the Los Alamos transport code MCNP6 and with its CEM03.03 and LAQGSM03.03 event generators. CEM and LAQGSM assume that intermediate-energy fragmentation reactions on light nuclei occur generally in two stages. The first stage is the intranuclear cascade (INC), followed by the second, Fermi breakup disintegration of light excited residual nuclei produced after the INC. CEM and LAQGSM account also for coalescence of light fragments (complex particles) up to sup>4He from energetic nucleons emitted during INC. We investigate the validity and performance of MCNP6, CEM, and LAQGSM in simulating fragmentation reactions at intermediate energies and discuss possible ways of further improving these codes.

Conflitos de gerações: Gustavo Corção e a juventude católica (Generation conflict: Gustavo Corção and Catholic Youth

Directory of Open Access Journals (Sweden)

Christiane Jalles de Paula

2012-07-01

Full Text Available Este artigo aborda o combate que empreendeu Gustavo Corção à juventude católica brasileira nas páginas do Diário de Notícias e d’ O Globo entre as décadas de 1950 e de 1960. No caso em tela, interessa-nos entender as reações de Gustavo Corção às mudanças na sociedade e na Igreja Católica entre 1957 e 1964. A hipótese é que as críticas de Corção explicitam o conflito entre duas gerações de católicos: uma conservadora; a dele; e outra progressista, a das organizações de jovens católicos, mais especificamente, a da Juventude Universitária Católica (JUC. Apresentaremos a disputa a partir do exame da seguinte questão: o papel que a juventude brasileira deveria desempenhar naqueles anos. O objetivo é mostrar que suas críticas à opção de ação temporal assumida pelas organizações de juventude católica devem ser lidas pela chave do conflito geracional que marcou o campo católico brasileiro. Palavras-chave: Catolicismo. Gerações. Gustavo Corção. Juventude católica.   Abstract: This paper discusses the fight of Brazilian Catholic Youth Gustavo Corção in the newspapers Diário de Notícias and O Globo in the 1950s and 1960s. In case we are interested in understanding the reactions of Gustavo Corção to changes in society and the Catholic Church between 1957 and 1964. The hypothesis is that the criticism of Corção explains the conflict between two generations of Catholics: a conservative and other progressive, represented by the Catholic youth organizations, more specifically, the Youth Catholic University. We are going to examine the question: the role that Brazilian youth should play in those years. Therefore, the aim is to show that his criticism of the political action undertaken by the young catholic organizations should be read by the key of generation conflict which has marked the Brazilian Catholic field. Keywords: Catholicism. Generations. Gustavo Corção. Catholic youth organizations.

Application of permanent magnet BaFe12O19 and NdFeB on small scale low speed permanent magnet generator

International Nuclear Information System (INIS)

Pudji Irasari; Novrita Idayanti

2009-01-01

Designing and manufacturing of low speed permanent magnet generator (PMG) for small scale electric power plant have been conducted. In this paper, the characteristics of generator using permanent magnet of barium ferrite (BaFe 12 O 19 ) and neodymium iron boron (NdFeB) were compared. Surface mounted type is selected as the rotor structure as all flux faces to stator winding and take a role in energy conversion. The experiment result demonstrates that at nominal speed, generator with BaFe 12 O 19 magnet can only generate power of 8.87 W while generator with NdFeB magnet can generate power of 1,988.93 W. (author)

Registro de Achatina fulica Bowdich, 1822 (Mollusca, Gastropoda no Brasil: caramujo hospedeiro intermediário da angiostrongilíase Occurrence of Achatina fulica Bowdich, 1822 (Mollusca, Gastropoda in Brazil: intermediate snail host of angiostrongyliasis

Directory of Open Access Journals (Sweden)

Horácio Manuel Santana Teles

1997-06-01

Full Text Available A introdução de Achatina fulica é assinalada em Itariri, SP, Brasil. Essa espécie de caramujo terrestre foi importada para cultivo, visando à comercialização para consumo humano como "escargot". O encontro de exemplares em vida livre mostra a dispersão de A. fulica e, conseqüentemente, o risco de transmissão de Angiostrongylus cantonensis, nematóide parasita do homem e de outros vertebrados. Além disso, o caramujo é uma praga importante da agricultura.Achatina fulica, the intermediate snail host of angiostrongyliasis and also an agricultural pest, is being bred in Brazil for human consumption as "escargot". The snail has escaped from its artificial breeding sites and its dispersal in Itariri county, State of S. Paulo, is reported here for the first time. A. fulica is a transmitter of the rat lungworm Angiostrongylus cantonensis, nematode which causes meningoencephalic angiostrongyliasis; the risks of human contamination are commented on.

Gravity with Intermediate Goods Trade

Directory of Open Access Journals (Sweden)

Sujin Jang

2017-12-01

Full Text Available This paper derives the gravity equation with intermediate goods trade. We extend a standard monopolistic competition model to incorporate intermediate goods trade, and show that the gravity equation with intermediates trade is identical to the one without it except in that gross output should be used as the output measure instead of value added. We also show that the output elasticity of trade is significantly underestimated when value added is used as the output measure. This implies that with the conventional gravity equation, the contribution of output growth can be substantially underestimated and the role of trade costs reduction can be exaggerated in explaining trade expansion, as we demonstrate for the case of Korea's trade growth between 1995 and 2007.

Spectroscopic and Kinetic Characterization of Peroxidase-Like π-Cation Radical Pinch-Porphyrin-Iron(III Reaction Intermediate Models of Peroxidase Enzymes

Directory of Open Access Journals (Sweden)

Samuel Hernández Anzaldo

2016-06-01

Full Text Available The spectroscopic and kinetic characterization of two intermediates from the H2O2 oxidation of three dimethyl ester [(proto, (meso, (deuteroporphyrinato (picdien]Fe(III complexes ([FePPPic], [FeMPPic] and [FeDPPic], respectively pinch-porphyrin peroxidase enzyme models, with s = 5/2 and 3/2 Fe(III quantum mixed spin (qms ground states is described herein. The kinetic study by UV/Vis at λmax = 465 nm showed two different types of kinetics during the oxidation process in the guaiacol test for peroxidases (1–3 + guaiacol + H2O2 → oxidation guaiacol products. The first intermediate was observed during the first 24 s of the reaction. When the reaction conditions were changed to higher concentration of pinch-porphyrins and hydrogen peroxide only one type of kinetics was observed. Next, the reaction was performed only between pinch-porphyrins-Fe(III and H2O2, resulting in only two types of kinetics that were developed during the first 0–4 s. After this time a self-oxidation process was observed. Our hypotheses state that the formation of the π-cation radicals, reaction intermediates of the pinch-porphyrin-Fe(III family with the ligand picdien [N,N’-bis-pyridin-2-ylmethyl-propane-1,3-diamine], occurred with unique kinetics that are different from the overall process and was involved in the oxidation pathway. UV-Vis, 1H-NMR and ESR spectra confirmed the formation of such intermediates. The results in this paper highlight the link between different spectroscopic techniques that positively depict the kinetic traits of artificial compounds with enzyme-like activity.

Facile fabrication of Si-doped TiO2 nanotubes photoanode for enhanced photoelectrochemical hydrogen generation

Science.gov (United States)

Dong, Zhenbiao; Ding, Dongyan; Li, Ting; Ning, Congqin

2018-04-01

Photoelectrochemical (PEC) water splitting based doping modified one dimensional (1D) titanium dioxide (TiO2) nanostructures provide an efficient method for hydrogen generation. Here we first successfully fabricated 1D Si-doped TiO2 (Ti-Si-O) nanotube arrays through anodizing Ti-Si alloys with different Si amount, and reported the PEC properties for water splitting. The Ti-Si-O nanotube arrays fabricated on Ti-5 wt.% Si alloy and annealed at 600 °C possess higher PEC activity, yielding a higher photocurrent density of 0.83 mA/cm2 at 0 V vs. Ag/AgCl. The maximum photoconversion efficiency was 0.54%, which was 2.7 times the photoconversion efficiency of undoped TiO2.

Mobile communication and intermediality

DEFF Research Database (Denmark)

Helles, Rasmus

2013-01-01

communicative affordances of mobile devices in order to understand how people choose between them for different purposes. It is argued that mobile communication makes intermediality especially central, as the choice of medium is detached from the location of stationary media and begins to follow the user across......The article argues the importance of intermediality as a concept for research in mobile communication and media. The constant availability of several, partially overlapping channels for communication (texting, calls, email, Facebook, etc.) requires that we adopt an integrated view of the various...

QUANTITATIVE TESTS OF ELMS AS INTERMEDIATE N PEELING-BALLOONING MODES

International Nuclear Information System (INIS)

LAO, LL; SNYDER, PB; LEONARD, AW; OSBORNE, TH; PETRIE, TW; FERRON, JR; GROEBNER, RJ; HORTON, LD; KAMADA, Y; MURAKAMI, M; OIKAWA, T; PEARLSTEIN, LD; SAARELMA, S; STJOHN, HE; THOMAS, DM; TURNBULL, AD; WILSON, HR

2002-01-01

OAK A271 QUANTITATIVE TESTS OF ELMS AS INTERMEDIATE N PEELING-BALLOONING MODES. Two of the major issues crucial for the design of the next generation tokamak burning plasma devices are the predictability of the edge pedestal height and control of the divertor heat load in H-mode configurations. Both of these are strongly impacted by edge localized modes (ELMs) and their size. A working model for ELMs is that they are intermediate toroidal mode number, n ∼ 5-30, peeling-ballooning modes driven by the large edge pedestal pressure gradient P(prime) and the associated large edge bootstrap current density J BS . the interplay between P(prime) and J BS as a discharge evolves can excite peeling-ballooning modes over a wide spectrum of n. The pedestal current density plays a dual role by stabilizing the high n ballooning modes via opening access to second stability but providing free energy to drive the intermediate n peeling modes. This makes a systematic evaluation of this model particularly challenging. This paper describes recent quantitative tests of this model using experimental data from the DIII-D and the JT-60U tokamaks. These tests are made possible by recent improvements to the ELITE MHD stability code, which allow an efficient evaluation of the unstable peeling-ballooning modes, as well as by improvements to other diagnostic and analysis techniques. Some of the key testable features of this model are: (1) ELMs are triggered when the growth rates of intermediate n MHD modes become significantly large; (2) ELM sizes are related to the radial widths of the unstable modes; (3) the unstable modes have a strong ballooning character localized in the outboard bad curvature region; (4) at high collisionality, ELM size generally becomes smaller because J BS is reduced

Intense multimicrojoule high-order harmonics generated from neutral atoms of In2O3 nanoparticles

International Nuclear Information System (INIS)

Elouga Bom, L. B.; Abdul-Hadi, J.; Vidal, F.; Ozaki, T.; Ganeev, R. A.

2009-01-01

We studied high-order harmonic generation from plasma that contains an abundance of indium oxide nanoparticles. We found that harmonics from nanoparticle-containing plasma are considerably more intense than from plasma produced on the In 2 O 3 bulk target, with high-order harmonic energy ranging from 6 μJ (for the ninth harmonic) to 1 μJ (for the 17th harmonic) in the former case. The harmonic cutoff from nanoparticles was at the 21st order, which is lower than that observed using indium oxide solid target. By comparing the harmonic spectra obtained from solid and nanoparticle indium oxide targets, we concluded that intense harmonics in the latter case are dominantly generated from neutral atoms of the In 2 O 3 nanoparticles

Melting relations of model lherzolite in the system CaO-MgO-Al2O3-SiO2 at 2.4-3.4 GPa and the generation of komatiites

Science.gov (United States)

Gudfinnsson, Gudmundur H.; Presnall, Dean C.

1996-12-01

Isobarically invariant phase relations in the CaO-MgO-Al2O3-SiO2 system (CMAS) involving the lherzolite phase assemblage in equilibrium with liquid have been determined at 2.4-3.4 GPa. These phase relations form the solidus of model lherzolite in the CMAS system. Our data, which include determinations of all phase compositions, are in excellent agreement with the 3.0 and 4.0 GPa points of Milholland and Presnall [1991] and Davis and Schairer [1965], respectively. The invariant transition on the P-T solidus curve from spinel- to garnet-lherzolite at 3.0 GPa, 1575°C [Milholland and Presnall, 1991], is confirmed, but we observe that the theoretically required temperature depression on the solidus curve at this point is not experimentally detectable. Composition trends along the solidus take a sharp turn at the transition. In the spinel-lherzolite stability field, melt compositions become increasingly Fo-normative and less En-normative with increasing pressure, but become less Fo-normative and more pyroxenitic as pressure increases in the garnet-lherzolite stability field. Calculated melting reactions indicate that forsterite is in reaction relationship with the melt up to 3.0 GPa. Orthopyroxene is also in reaction relationship at pressures higher than just over 2.8 GPa and is the only phase in reaction relationship with the melt in the garnet-lherzolite stability field. Comparison of the normative compositions and the CaO/Al2O3 values of the komatiites of Gorgona Island and of the Reliance Formation in Zimbabwe with the compositions of liquids along the solidus of model lherzolite in the CMAS system indicates that the former komatiites were generated at pressures close to 3.7 GPa and the latter at close to 4.5 GPa, assuming that the melt generation occurred in the presence of the complete garnet-lherzolite assemblage.

A study of the effect of intermediate structure in the fission cross section of 239Pu on self-shielding factors

International Nuclear Information System (INIS)

Ganesan, S.

1978-01-01

A set of energy dependent fission widths of 1 + spin state corresponding to the recommended fission cross sections of Sowerby et al is evaluated by adjustment in the energy region 600 ev to 25 Kev. Corresponding to these mean fission widths of 1 + spin state, the intermediate resonance parameters based on Weigmann's formulation of Struitinsky's double humped fission barrier model are then obtained. Pseudorandom resonances are generated with and without the intermediate structure in the mean fission but leading to the same value of infinite dilution fission cross section. The effect of the intermediate structure on the self shielding factors was then investigated. (author)

X-shooter, the new wide band intermediate resolution spectrograph at the ESO Very Large Telescope

DEFF Research Database (Denmark)

Vernet, J.; Dekker, H.; D'Odorico, S.

2011-01-01

X-shooter is the first 2nd generation instrument of the ESO Very Large Telescope (VLT). It is a very efficient, single-target, intermediate-resolution spectrograph that was installed at the Cassegrain focus of UT2 in 2009. The instrument covers, in a single exposure, the spectral range from 300 t...

X-shooter, the new wide band intermediate resolution spectrograph at the ESO Very Large Telescope

NARCIS (Netherlands)

Vernet, J.; Dekker, H.; D'Odorico, S.; Kaper, L.; Kjaergaard, P.; Hammer, F.; Randich, S.; Zerbi, F.; Groot, P.J.; Hjorth, J.; Guinouard, I.; Navarro, R.; Adolfse, T.; Albers, P.W.; Amans, J.-P.; Andersen, J.J.; Andersen, M.I.; Binetruy, P.; Bristow, P.; Castillo, R.; Chemla, F.; Christensen, L.; Conconi, P.; Conzelmann, R.; Dam, J.; De Caprio, V.; de Ugarte Postigo, A.; Delabre, B.; Di Marcantonio, P.; Downing, M.; Elswijk, E.; Finger, G.; Fischer, G.; Flores, H.; François, P.; Goldoni, P.; Guglielmi, L.; Haigron, R.; Hanenburg, H.; Hendriks, I.; Horrobin, M.; Horville, D.; Jessen, N.C.; Kerber, F.; Kern, L.; Kiekebusch, M.; Kleszcz, P.; Klougart, J.; Kragt, J.; Larsen, H.H.; Lizon, J.-L.; Lucuix, C.; Mainieri, V.; Manuputy, R.; Martayan, C.; Mason, E.; Mazzoleni, R.; Michaelsen, N.; Modigliani, A.; Moehler, S.; Møller, P.; Norup Sørensen, A.; Nørregaard, P.; Péroux, C.; Patat, F.; Pena, E.; Pragt, J.; Reinero, C.; Rigal, F.; Riva, M.; Roelfsema, R.; Royer, F.; Sacco, G.; Santin, P.; Schoenmaker, T.; Spano, P.; Sweers, E.; ter Horst, R.; Tintori, M.; Tromp, N.; van Dael, P.; van Vliet, H.; Venema, L.; Vidali, M.; Vinther, J.; Vola, P.; Winters, R.; Wistisen, D.; Wulterkens, G.; Zacchei, A.

2011-01-01

X-shooter is the first 2nd generation instrument of the ESO Very Large Telescope (VLT). It is a very efficient, single-target, intermediate-resolution spectrograph that was installed at the Cassegrain focus of UT2 in 2009. The instrument covers, in a single exposure, the spectral range from 300 to

Heat generation ability in AC magnetic field of nano MgFe2O4-based ferrite powder prepared by bead milling

International Nuclear Information System (INIS)

Hirazawa, Hideyuki; Aono, Hiromichi; Naohara, Takashi; Maehara, Tsunehiro; Sato, Mitsunori; Watanabe, Yuji

2011-01-01

Nanosized MgFe 2 O 4 -based ferrite powder having heat generation ability in an AC magnetic field was prepared by bead milling and studied for thermal coagulation therapy applications. The crystal size and the particle size significantly decreased by bead milling. The heat generation ability in an AC magnetic field improved with the milling time, i.e. a decrease in crystal size. However, the heat generation ability decreased for excessively milled samples with crystal sizes of less than 5.5 nm. The highest heat ability (ΔT=34 o C) in the AC magnetic field (370 kHz, 1.77 kA/m) was obtained for fine MgFe 2 O 4 powder having a ca. 6 nm crystal size (the samples were milled for 6-8 h using 0.1 mm φ beads). The heat generation of the samples was closely related to hysteresis loss, a B-H magnetic property. The reason for the high heat generation properties of the samples milled for 6-8 h using 0.1 mm φ beads was ascribed to the increase in hysteresis loss by the formation of a single domain. Moreover, the improvement in heating ability was obtained by calcination of the bead-milled sample at low temperature. In this case, the maximum heat generation (ΔT=41 o C) ability was obtained for a ca. 11 nm crystal size sample was prepared by crystal growth during the sample calcination. On the other hand, the ΔT value for Mg 0.5 Ca 0.5 Fe 2 O 4 was synthesized using a reverse precipitation method decreased by bead milling. - Research Highlights: →The crystal and particle size for MgFe 2 O 4 based ferrite were decreased by bead milling. →The highest heat ability was obtained for MgFe 2 O 4 having a ca. 6 nm crystal size. →This high heat generation ability was ascribed to the increase in hysteresis loss. →Hysteresis loss was increased by the formation of a single domain.

Hydrogeological and hydrochemical investigation of groundwater using environmental isotopes (18O, 2H, 3H, 14C) and chemical tracers: a case study of the intermediate aquifer, Sfax, southeastern Tunisia

Science.gov (United States)

Ayadi, Rahma; Trabelsi, Rim; Zouari, Kamel; Saibi, Hakim; Itoi, Ryuichi; Khanfir, Hafedh

2017-12-01

Major element concentrations and stable (δ18O and δ2H) and radiogenic (3H and 14C) isotopes in groundwater have proved useful tracers for understanding the geochemical processes that control groundwater mineralization and for identifying recharge sources in the semi-arid region of Sfax (southeastern Tunisia). Major-ion chemical data indicate that the origins of the salinity in the groundwater are the water-rock interactions, mainly the dissolution of evaporitic minerals, as well as the cation exchange with clay minerals. The δ18O and δ2H relationships suggest variations in groundwater recharge mechanisms. Strong evaporation during recharge with limited rapid water infiltration is evident in the groundwater of the intermediate aquifer. The mixing with old groundwater in some areas explains the low stable isotope values of some groundwater samples. Groundwaters from the intermediate aquifer are classified into two main water types: Ca-Na-SO4 and Ca-Na-Cl-SO4. The high nitrate concentrations suggest an anthropogenic source of nitrogen contamination caused by intensive agricultural activities in the area. The stable isotopic signatures reveal three water groups: non-evaporated waters that indicate recharge by recent infiltrated water; evaporated waters that are characterized by relatively enriched δ18O and δ2H contents; and mixed groundwater (old/recent) or ancient groundwater, characterized by their depleted isotopic composition. Tritium data support the existence of recent limited recharge; however, other low tritium values are indicative of pre-nuclear recharge and/or mixing between pre-nuclear and contemporaneous recharge. The carbon-14 activities indicate that the groundwaters were mostly recharged under different climatic conditions during the cooler periods of the late Pleistocene and Holocene.

Nitrogen atom transfer mediated by a new PN3P-pincer nickel core via a putative nitrido nickel intermediate

KAUST Repository

Yao, Changguang

2018-02-13

A 2nd generation PN3P-pincer azido nickel complex (PN3P)Ni(N3) reacts with isocyanides to afford monosubstituted carbodiimides under irradiation, presumably via a transient nitrido intermediate. The resulting species can further generate unsymmetrical carboddimides and the PN3P nickel halide complex, accomplishing a synthetic cycle for a complete nitrogen atom transfer reaction.

Nitrogen atom transfer mediated by a new PN3P-pincer nickel core via a putative nitrido nickel intermediate

KAUST Repository

Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei

2018-01-01

A 2nd generation PN3P-pincer azido nickel complex (PN3P)Ni(N3) reacts with isocyanides to afford monosubstituted carbodiimides under irradiation, presumably via a transient nitrido intermediate. The resulting species can further generate unsymmetrical carboddimides and the PN3P nickel halide complex, accomplishing a synthetic cycle for a complete nitrogen atom transfer reaction.

Classical model of intermediate statistics