Density effects on high-n molecular Rydberg states: CH3I and C6H6 in H2 and Ar

International Nuclear Information System (INIS)

Asaf, U.; Felps, W.S.; Rupnik, K.; McGlynn, S.P.; Ascarelli, G.

1989-01-01

The absorption spectra of high-n Rydberg states of methyl iodide and benzene perturbed by varying number densities of hydrogen or argon, range 0.9x10 20 --10.5x10 20 cm -3 for H 2 and 0.6x10 20 --7.5x10 20 cm -3 for Ar, have been investigated. The high-n molecular states of both absorbers were found to shift linearly with the number density of atomic Ar and molecular H 2 scatterers. The Fermi formula modified by the Alekseev--Sobel'man polarization term provides an excellent fit of the shift data. The electron scattering lengths obtained are: 0.93 a 0 for H 2 and -1.63 a 0 for Ar using the CH 3 I absorber; and 0.99 a 0 for H 2 and -1.57 a 0 for Ar using the C 6 H 6 absorber. The electron scattering lengths for H 2 and Ar agree with the results of an empirical model that correlates scattering lengths and the polarizabilities α(spherical) for inert atoms and α 2 (nonspherical) for H 2 molecule

Electroremovable Traceless Hydrazides for Cobalt-Catalyzed Electro-Oxidative C-H/N-H Activation with Internal Alkynes.

Science.gov (United States)

Mei, Ruhuai; Sauermann, Nicolas; Oliveira, João C A; Ackermann, Lutz

2018-06-27

Electrochemical oxidative C-H/N-H activations have been accomplished with a versatile cobalt catalyst in terms of [4 + 2] annulations of internal alkynes. The electro-oxidative C-H activation manifold proved viable with an undivided cell setup under exceedingly mild reaction conditions at room temperature using earth-abundant cobalt catalysts. The electrochemical cobalt catalysis prevents the use of transition metal oxidants in C-H activation catalysis, generating H 2 as the sole byproduct. Detailed mechanistic studies provided strong support for a facile C-H cobaltation by an initially formed cobalt(III) catalyst. The subsequent alkyne migratory insertion was interrogated by mass spectrometry and DFT calculations, providing strong support for a facile C-H activation and the formation of a key seven-membered cobalta(III) cycle in a regioselective fashion. Key to success for the unprecedented use of internal alkynes in electrochemical C-H/N-H activations was represented by the use of N-2-pyridylhydrazides, for which we developed a traceless electrocleavage strategy by electroreductive samarium catalysis at room temperature.

Strong-coupling electron-phonon superconductivity in H{sub 3}S

Energy Technology Data Exchange (ETDEWEB)

Pickett, Warren E. [University of California, Davis, CA (United States); Quan, Yundi [Beijing Normal University, Beijing (China)

2016-07-01

The superconducting phase of hydrogen sulfide at T{sub c} = 200 K observed by Eremets' group at pressures around 200 GPa is simple bcc Im-3m H{sub 3}S. Remarkably, this record high temperature superconductor was predicted beforehand by Duan et al., so the theory would seem to be in place. Here we will discuss why this is not true. Several extremes are involved: extreme pressure, meaning reduction of volume;extremely high H phonon energy scale around 1400 K; unusually narrow peak in the density of states at the Fermi level; extremely high temperature for a superconductor. Analysis of the H3S electronic structure and two important van Hove singularities (vHs) reveal the effect of sulfur. The implications for the strong coupling Migdal-Eliashberg theory will be discussed. Followed by comments on ways of increasing T{sub c} in H{sub 3}S-like materials.

Critical experiments on an enriched uranium solution system containing periodically distributed strong thermal neutron absorbers

International Nuclear Information System (INIS)

Rothe, R.E.

1996-01-01

A series of 62 critical and critical approach experiments were performed to evaluate a possible novel means of storing large volumes of fissile solution in a critically safe configuration. This study is intended to increase safety and economy through use of such a system in commercial plants which handle fissionable materials in liquid form. The fissile solution's concentration may equal or slightly exceed the minimum-critical-volume concentration; and experiments were performed for high-enriched uranium solution. Results should be generally applicable in a wide variety of plant situations. The method is called the 'Poisoned Tube Tank' because strong neutron absorbers (neutron poisons) are placed inside periodically spaced stainless steel tubes which separate absorber material from solution, keeping the former free of contamination. Eight absorbers are investigated. Both square and triangular pitched lattice patterns are studied. Ancillary topics which closely model typical plant situations are also reported. They include the effect of removing small bundles of absorbers as might occur during inspections in a production plant. Not taking the tank out of service for these inspections would be an economic advantage. Another ancillary topic studies the effect of the presence of a significant volume of unpoisoned solution close to the Poisoned Tube Tank on the critical height. A summary of the experimental findings is that boron compounds were excellent absorbers, as expected. This was true for granular materials such as Gerstley Borate and Borax; but it was also true for the flexible solid composed of boron carbide and rubber, even though only thin sheets were used. Experiments with small bundles of absorbers intentionally removed reveal that quite reasonable tanks could be constructed that would allow a few tubes at a time to be removed from the tank for inspection without removing the tank from production service

Deposition and characterisation of multilayer hard coatings. Ti/TiNδ/TiCxNy/(TiC) a-C:H/(Ti) a-C:H

International Nuclear Information System (INIS)

Burinprakhon, T.

2001-02-01

Multilayer hard coatings containing Ti, TiNδ, TiC x N y , (TiC m ) a-C:H, (TiC n ) a-C:H, and (Ti) a-C:H were deposited on commercially pure titanium substrates by using an asymmetric bipolar pulsed-dc reactive magnetron sputtering of a titanium target, with Ar, Ar+N 2 , Ar+N 2 +CH 4 , and Ar+CH 4 gas mixtures. The microstructures, elemental compositions and bonding states of the interlayers and the coating surfaces were studied by using cross-sectional transmission electron microscopy (XTEM), electron energy loss spectroscopy (EELS), X-ray diffraction (XRD), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). The microstructure development of the multilayer coating was strongly influenced by target poisoning. As a result of the complete poisoning of the titanium target during the deposition of TiNδ and TiC x N y interlayers, the a-C:H interlayers containing graded titanium and nitrogen contents were found to develop successively to the TiC x N y interlayer without the formation of near-stoichiometric TiC. The (TiC m ) a-C:H interlayer consisted of nano-particles of distorted fcc crystal structure embedded in the a-C:H matrix. The (TiC n ) a-C:H and (Ti) a-C:H top layers were found to be a-C:H matrix without nano-particles. In the (Ti) a-C:H top layer there was no measurable amount of Ti observed, regardless of the variation of CH 4 concentration between 37.5 and 60 % flow rate in Ar+-CH4 gas mixture. The top layer (Ti) a-C:H was found to contain approximately 10 atomic % nitrogen, due to N 2 contamination during deposition caused by low conductance of N 2 through the nominally closed valve of the mass flow controller. The change of the CH 4 concentration during deposition of the top layer (Ti) a-C:H, however, showed a strong influence on the hydrogen content. The comparison of the fluorescence background of the Raman spectra revealed that hydrogen-less (Ti) a-C:H was deposited at a CH 4 concentration of less than 50 % flow rate in Ar. The hardness

The influence on biotissue laser resection of a strongly absorbing layer at the optical fiber tip

Directory of Open Access Journals (Sweden)

Daria Kuznetsova

2016-09-01

Full Text Available In this paper, we consider a method of laser resection using the silica glass core from which the cladding layer has been removed as the cutting part of a laser scalpel. An absorbing layer coating the silica fiber tip markedly alters its biotissue cutting characteristics. The results of histological studies of skin after exposure to a laser scalpel with and without a strongly absorbing coating (SAC at a wavelength of 0.97μm show that resection using a coated scalpel is more sparing. When an uncoated scalpel was used, skin injury was more apparent in both its surface spread and the depth of structural damage, resulting in poorer tissue regeneration.

The responses of the four main substitution mechanisms of H in olivine to H2O activity at 1050 °C and 3 GPa

Science.gov (United States)

Tollan, Peter M. E.; Smith, Rachel; O'Neill, Hugh St. C.; Hermann, Jörg

2017-12-01

The water solubility in olivine ({C}_{{H}_2O}) has been investigated at 1050 °C and 3 GPa as a function of water activity ({a}_{{H}_2O}) at subsolidus conditions in the piston-cylinder apparatus, with {a}_{{H}_2O} varied using H2O-NaCl fluids. Four sets of experiments were conducted to constrain the effect of {a}_{{H}_2O} on the four main substitution mechanisms. The experiments were designed to grow olivine in situ and thus achieve global equilibrium (G-type), as opposed to hydroxylating olivine with a pre-existing point-defect structure and impurity content (M-type). Olivine grains from the experiments were analysed with polarised and unpolarised FTIR spectroscopy, and where necessary, the spectra have been deconvoluted to quantify the contribution of each substitution mechanism. Olivine buffered with magnesiowüstite produced absorbance bands at high wavenumbers ranging from 3566 to 3612 cm-1. About 50% of the total absorbance was found parallel to the a-axis, 30% parallel to the b-axis and 20% parallel to the c-axis. The total absorbance and hence water concentration in olivine follows the relationship of {C}_{{H}_2O}∝ {a_{{H}_2O}}^2 , indicating that the investigated defect must involve four H atoms substituting for one Si atom (labelled as [Si]). Forsterite buffered with enstatite produced an absorbance band exclusively aligned parallel the c-axis at 3160 cm-1. The band position, polarisation and observed {C}_{{H}_2O}∝ {a}_{{H}_2O} are consistent with two H substituting for one Mg (labelled as [Mg]). Ti-doped, enstatite-buffered olivine displays absorption bands, and polarisation typical of Ti-clinohumite point defects where two H on the Si-site are charge-balanced by one Ti on a Mg-site (labelled as [Ti]). This is further supported by {C}_{{H}_2O}∝ {a}_{{H}_2O} and a 1:1 relationship of molar H2O and TiO2 in these experiments. Sc-doped, enstatite-buffered experiments display a main absorption band at 3355 cm-1 with {C}_{{H}_2O}∝ {a_{{H}_2O}}^{0

H i Absorption in the Steep-Spectrum Superluminal Quasar 3C 216.

Science.gov (United States)

Pihlström; Vermeulen; Taylor; Conway

1999-11-01

The search for H i absorption in strong compact steep-spectrum sources is a natural way to probe the neutral gas contents in young radio sources. In turn, this may provide information about the evolution of powerful radio sources. The recently improved capabilities of the Westerbork Synthesis Radio Telescope have made it possible to detect a 0.31% (19 mJy) deep neutral atomic hydrogen absorption line associated with the steep-spectrum superluminal quasar 3C 216. The redshift (z=0.67) of the source shifts the frequency of the 21 cm line down to the ultra-high-frequency (UHF) band (850 MHz). The exact location of the H i-absorbing gas remains to be determined by spectral line VLBI observations at 850 MHz. We cannot exclude that the gas might be extended on galactic scales, but we think it is more likely to be located in the central kiloparsec. Constraints from the lack of X-ray absorption probably rule out obscuration of the core region, and we argue that the most plausible site for the H i absorption is in the jet-cloud interaction observed in this source.

Experimental Study on Optimization of Absorber Configuration in Compression/Absorption Heat Pump with NH{sub 3}/H{sub 2}O Mixture

Energy Technology Data Exchange (ETDEWEB)

Kim, Ji Young; Kim, Min Sung; Baik, Young Jin; Park, Seong Ryong; Chang, Ki Chang; Ra, Ho Sang [Korea Institute of Energy Research, Daejeon (Korea, Republic of); Kim, Yong Chan [Korea University, Seoul (Korea, Republic of)

2011-03-15

This research aims to develop a compression/absorption hybrid heat pump system using an NH{sub 3}/H{sub 2}O as working fluid. The heat pump cycle is based on a combination of compression and absorption cycles. The cycle consists of two-stage compressors, absorbers, a de superheater, solution heat exchangers, a solution pump, a rectifier, and a liquid/vapor separator. The compression/absorption hybrid heat pump was designed to produce hot water above 90 .deg. C using high-temperature glide during a two-phase heat transfer. Distinct characteristics of the nonlinear temperature profile should be considered to maximize the performance of the absorber. In this study, the performance of the absorber was investigated depending on the capacity, shape, and arrangement of the plate heat exchangers with regard to the concentration and distribution at the inlet of the absorber.

Characterization of weak, fair and strong neutron absorbing materials by means of neutron transmission: Beam hardening effect

Science.gov (United States)

Kharfi, F.; Bastuerk, M.; Boucenna, A.

2006-09-01

The characterization of neutron absorbing materials as well as quantification of neutron attenuation through matter is very essential in various fields, namely in shielding calculation. The objective of this work is to describe an experimental procedure to be used for the determination of neutron transmission through different materials. The proposed method is based on the relation between the gray value measured on neutron radiography image and the corresponding inducing neutron beam. For such a purpose, three kinds of materials (in shape of plate) were investigated using thermal neutrons: (1) boron-alloyed stainless steel as strong absorber; (2) copper and steel as fair absorbers and (3) aluminum as weak absorber. This work is not limited to the determination of neutron transmission through matters; it is also spread out to the measure of the surface density of the neutron absorbing elements (ρs) as a function of thickness of neutron absorbing material such as boron-alloyed stainless steel. The beam hardening effect depending on material thickness was also studied using the neutron transmission measurements. A theoretical approach was used to interpret the experimental results. The neutron transmission measurements were performed at the Neutron Radiography and Tomography facility of the Atomic Institute of the Austrian Universities in Vienna. Finally, a Maxwellian neutron distribution of incident neutron beam was used in the theoretical calculations of neutron energy shift in order to compare with experiments results. The obtained experimental results are in a good agreement with the developed theoretical approach.

Thermal properties of polyfurfuryl alcohol absorbed/adsorbed on arylated soy protein films

CSIR Research Space (South Africa)

Kumar, R

2012-02-01

Full Text Available In this study, polyfurfuryl alcohol was absorbed/adsorbed on soy protein isolate films by immersing the SPI films in acid-catalysed furfuryl alcohol solution for 60 h followed by complete curing at 145–150 -C for 2 h. PFA absorbed/adsorbed soy...

Designing a hand rest tremor dynamic vibration absorber using H2 optimization method

International Nuclear Information System (INIS)

Rahnavard, Mostafa; Dizaji, Ahmad F.; Hashemi, Mojtaba; Faramand, Farzam

2014-01-01

An optimal single DOF dynamic absorber is presented. A tremor has a random nature and then the system is subjected to a random excitation instead of a sinusoidal one; so the H 2 optimization criterion is probably more desirable than the popular H ∞ optimization method and was implemented in this research. The objective of H 2 optimization criterion is to reduce the total vibration energy of the system for overall frequencies. An objective function, considering the elbow joint angle, θ 2 , tremor suppression as the main goal, was selected. The optimization was done by minimization of this objective function. The optimal system, including the absorber, performance was analyzed in both time and frequency domains. Implementing the optimal absorber, the frequency response amplitude of θ 2 was reduced by more than 98% and 80% at the first and second natural frequencies of the primary system, respectively. A reduction of more than 94% and 78%, was observed for the shoulder joint angle, θ 1 . The objective function also decreased by more than 46%. Then, two types of random inputs were considered. For the first type, θ 1 and θ 2 revealed 60% and 39% reduction in their rms values, whereas for the second type, 33% and 50% decrease was observed.

13C, 1H spin-spin coupling constants. Pt. 4

International Nuclear Information System (INIS)

Aydin, R.; Guenther, H.

1979-01-01

One-bond, geminal, and vicinal 13 C, 1 H coupling constants have been determined for adamantane using α-and β-[D]adamantane and the relation sup(n)J( 13 C, 1 H)=6,5144sup(n)J( 13 C, 2 H) for the conversion of the measured sup(n)J( 13 C, 2 H) values. It is shown that the magnitude of 3 Jsub(trans) is strongly influenced by the substitution pattern. Relative H,D isotope effects for 13 C chemical shifts are given. (orig.) [de

A bonding study of c-C5H8 adsorption on Pt(111)

International Nuclear Information System (INIS)

Simonetti, S.; Jasen, P.; Gonzalez, E.; Juan, A.; Brizuela, G.

2006-01-01

The chemisorption of cyclopentane (c-C 5 H 8 ) on Pt(111) has been studied using a qualitative band-structure calculations in the framework of tight-binding implementation with the YAeHMOP package. We modeled the metal surface by a two-dimensional slab of finite thickness with an overlayer of c-C 5 H 8 , in a (3x3) di-σ geometry. The c-C 5 H 8 molecule is attached to the surface with its C?C atoms bonded mainly with two Pt atoms while the opposite CH 2 bends towards the surface. The Pt?Pt bonds in the underlying surface and the C?C bonds of c-C 5 H 8 are weakened upon the chemisorption. A noticeable Pt-H and Pt-C interactions has been observed. We found that of Pt 5d z 2 band plays an important role in the bonding between c-C 5 H 8 and the surface, as do the Pt 6s and 6p z bands. The HOMO-LUMO bands of c-C 5 H 8 are very dispersed, indicative of a strong interaction with the metal surface

Transition metal atoms absorbed on MoS2/h-BN heterostructure: stable geometries, band structures and magnetic properties.

Science.gov (United States)

Wu, Yanbing; Huang, Zongyu; Liu, Huating; He, Chaoyu; Xue, Lin; Qi, Xiang; Zhong, Jianxin

2018-06-15

We have studied the stable geometries, band structures and magnetic properties of transition-metal (V, Cr, Mn, Fe, Co and Ni) atoms absorbed on MoS2/h-BN heterostructure systems by first-principles calculations. By comparing the adsorption energies, we find that the adsorbed transition metal (TM) atoms prefer to stay on the top of Mo atoms. The results of the band structure without spin-orbit coupling (SOC) interaction indicate that the Cr-absorbed systems behave in a similar manner to metals, and the Co-absorbed system exhibits a half-metallic state. We also deduce that the V-, Mn-, Fe-absorbed systems are semiconductors with 100% spin polarization at the HOMO level. The Ni-absorbed system is a nonmagnetic semiconductor. In contrast, the Co-absorbed system exhibits metallic state, and the bandgap of V-absorbed system decreases slightly according to the SOC calculations. In addition, the magnetic moments of all the six TM atoms absorbed on the MoS2/h-BN heterostructure systems decrease when compared with those of their free-standing states.

Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

Science.gov (United States)

Konda, Ravinder; Tavhare, Priyanka; Ingale, Nilesh; Chaudhari, Ajay

2018-04-01

The interaction of molecular hydrogen with tetrahedral silsesquioxane (T4)-C2H2Ti complex has been studied using Density Functional Theory with M06-2X functional and MP2 method with 6-311++G** basis set. T4-C2H2Ti complex can absorb maximum five hydrogen molecules with the gravimetric hydrogen storage capacity of 3.4 wt %. Adsorption energy calculations show that H2 adsorption on T4-C2H2Ti complex is favorable at room temperature by both the methods. We have studied the effect of temperature and pressure on Gibbs free energy corrected adsorption energies. Molecular dynamics simulations for H2 adsorbed T4-C2H2Ti complex have also been performed at 300K and show that loosely bonded H2 molecule flies away within 1fs. Various interaction energies within the complex are studied. Stability of a complex is predicted by means of a gap between Highest Occupied Molecular Orbital (HUMO) and Lowest Unoccupied Molecular Orbital (LUMO). The H2 desorption temperature for T4-C2H2Ti complex is calculated with Van't Hoff equation and it is found to be 229K.

Brain pattern of histone H3 phosphorylation after acute amphetamine administration: its relationship to brain c-fos induction is strongly dependent on the particular brain area.

Science.gov (United States)

Rotllant, David; Armario, Antonio

2012-02-01

Recent evidence strongly suggests a critical role of chromatin remodelling in the acute and chronic effects of addictive drugs. We reasoned that Immunohistochemical detection of certain histone modifications may be a more specific tool than induction of immediate early genes (i.e. c-fos) to detect brain areas and neurons that are critical for the action of addictive drugs. Thus, in the present work we studied in adult male rats the effects of a high dose of amphetamine on brain pattern of histone H3 phosphorylation in serine 10 (pH3S(10)) and c-fos expression. We firstly observed that amphetamine-induced an increase in the number of pH3S(10) positive neurons in a restricted number of brain areas, with maximum levels at 30 min after the drug administration that declined at 90 min in most areas. In a second experiment we studied colocalization of pH3S(10) immunoreactivity (pH3S(10)-IR) and c-fos expression. Amphetamine increased c-fos expression in medial prefrontal cortex (mPFC), dorsal striatum, nucleus accumbens (Acb), major Island of Calleja (ICjM), central amygdala (CeA), bed nucleus of stria terminalis lateral dorsal (BSTld) and paraventricular nucleus of the hypothalamus (PVN). Whereas no evidence for increase in pH3S(10) positive neurons was found in the mPFC and the PVN, in the striatum and the Acb basically all pH3S(10) positive neurons showed colocalization with c-fos. In ICjM, CeA and BSTld a notable degree of colocalization was found, but an important number of neurons expressing c-fos were negative for pH3S(10). The present results give support to the hypothesis that amphetamine-induced pH3S(10)-IR showed a more restricted pattern than brain c-fos induction, being this difference strongly dependent on the particular brain area studied. It is likely that those nuclei and neurons showing pH3S(10)-IR are more specifically associated to important effects of the drug, including neural plasticity. This article is part of a Special Issue entitled 'Post

Platinum containing amorphous hydrogenated carbon (a-C:H/Pt) thin films as selective solar absorbers

International Nuclear Information System (INIS)

Lan, Yung-Hsiang; Brahma, Sanjaya; Tzeng, Y.H.; Ting, Jyh-Ming

2014-01-01

We have investigated a double-cermet structured thin film in which an a-C:H thin film was used as an anti-reflective (AR) layer and two platinum-containing amorphous hydrogenated carbon (a-C:H/Pt) thin films were used as the double cermet layers. A reactive co-sputter deposition method was used to prepare both the anti-reflective and cermet layers. Effects of the target power and heat treatment were studied. The obtained films were characterized using X-ray diffraction, scanning electron microscopy, high-resolution transmission electron microscopy. The optical absorptance and emittance of the as deposited and annealed films were determined using UV–vis-NIR spectroscopy. We show that the optical absorptance of the resulting double-cermet structured thin film is as high as 96% and remains to be 91% after heat treatment at 400 °C, indicating the thermal stability of the film

Strong theoretical support for the assignment of B11244 to l-C{sub 3}H{sup +}

Energy Technology Data Exchange (ETDEWEB)

Botschwina, P.; Stein, C.; Sebald, P.; Schröder, B.; Oswald, R. [Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstraße 6, D-37077 Göttingen (Germany)

2014-05-20

Highly accurate quantum chemical calculations beyond CCSD(T) have been used to study the molecular cation l-C{sub 3}H{sup +} which is the carrier of harmonically related radio lines observed in the Horsehead photodissociation region and toward Sgr B2(N). Excellent agreement with spectroscopic and radioastronomical measurements is obtained for the rotational constant, with the calculated value of B {sub 0} = 11246.4 MHz only 1.5 MHz or 0.01% above the experimental value. The unusually large ratio of centrifugal distortion constants D {sub 0}(exp.)/D{sub e}(theor.) = 1.80 is attributed to the shallow CCC bending potential of l-C{sub 3}H{sup +} and is quantitatively reproduced by variational calculations within a pseudo-triatomic model. A comparative study of centrifugal distortion constants in a series of four linear interstellar molecules (C{sub 3}N{sup –}, C{sub 3}O, l-C{sub 3}H{sup +}, and C{sub 3}) is made and some general conclusions are drawn.

The I{sub c}(H)-T{sub c}(H) phase boundary of superconducting Nb thin films with periodic and quasiperiodic antidot arrays

Energy Technology Data Exchange (ETDEWEB)

Bothner, D.; Kemmler, M.; Cozma, R.; Kleiner, R.; Koelle, D. [Physikalisches Institut and Center for Collective Quantum Phenomena, Universitaet Tuebingen (Germany); Misko, V.; Peeters, F. [Departement Fysica, Universiteit Antwerpen (Belgium); Nori, F. [Advanced Science Institute, RIKEN (Japan)

2011-07-01

The magnetic field dependent critical current I{sub c}(H) of superconducting thin films with artificial defects strongly depends on the symmetry of the defect arrangement. Likewise the critical temperature T{sub c}(H) of superconducting wire networks is heavily influenced by the symmetry of the system. Here we present experimental data on the I{sub c}(H)-T{sub c}(H) phase boundary of Nb thin films with artificial defect lattices of different symmetries. For this purpose we fabricated 60 nm thick Nb films with antidots in periodic (triangular) and five different quasiperiodic arrangements. The parameters of the antidot arrays were varied to investigate the influence of antidot diameter and array density. Experiments were performed with high temperature stability ({delta}T<1 mK) at 0.5{<=}T/T{sub c}{<=}1. From the I-V-characteristics at variable H and T we extract I{sub c}(H) and T{sub c}(H) for different voltage and resistance criteria. The experimental data for the critical current density are compared with results from numerical molecular dynamics simulations.

High-temperature stable absorber coatings for linear concentrating solar thermal power plants; Hochtemperaturstabile Absorberschichten fuer linear konzentrierende solarthermische Kraftwerke

Energy Technology Data Exchange (ETDEWEB)

Hildebrandt, Christina

2009-03-23

This work describes the development of new absorber coatings for different applications - para-bolic trough and linear Fresnel collectors - and operating conditions - absorber in vacuum or in air. The demand for higher efficiencies of solar thermal power plants using parabolic trough technology results in higher temperatures in the collectors and on the absorber tubes. As heat losses increase strongly with increasing temperatures, the need for a lower emissivity of the absorber coating at constant absorptivity arises. The linear Fresnel application envisions ab-sorber tubes stable in air at high temperatures of about 450 C, which are to date commercially not available. This work comprises the theoretical background, the modeling and the fabrication of absorber tubes including the technology transfer to a production-size inline sputter coater. In annealing tests and accompanying optical measurements, degradation processes have been observed and specified more precisely by material characterization techniques. The simulations provided the capability of different materials used as potential IR-reflector. The highest selectivity can be achieved by applying silver which consequently has been chosen for the application in absorber coatings of the parabolic trough technology. Thin silver films how-ever need to be stabilized when used at high temperatures. Appropriate barrier layers as well as process and layer parameters were identified. A high selectivity was achieved and stability of the absorber coating for 1200 h at 500 C in vacuum has been demonstrated. For the application in air, silver was also analyzed as a potential IR-reflector. Even though the stability could be increased considerably, it nevertheless proved to be insufficient. The main factors influencing stability in a positive way are the use of higher quality polishing, additional barrier layers and adequate process parameters. This knowledge was applied for developing coatings which are stable in air at

Designing a hand rest tremor dynamic vibration absorber using H{sub 2} optimization method

Energy Technology Data Exchange (ETDEWEB)

Rahnavard, Mostafa; Dizaji, Ahmad F. [Tehran University, Tehran (Iran, Islamic Republic of); Hashemi, Mojtaba [Amirkabir University, Tehran (Iran, Islamic Republic of); Faramand, Farzam [Sharif University, Tehran (Iran, Islamic Republic of)

2014-05-15

An optimal single DOF dynamic absorber is presented. A tremor has a random nature and then the system is subjected to a random excitation instead of a sinusoidal one; so the H{sub 2} optimization criterion is probably more desirable than the popular H{sub ∞} optimization method and was implemented in this research. The objective of H{sub 2} optimization criterion is to reduce the total vibration energy of the system for overall frequencies. An objective function, considering the elbow joint angle, θ {sub 2}, tremor suppression as the main goal, was selected. The optimization was done by minimization of this objective function. The optimal system, including the absorber, performance was analyzed in both time and frequency domains. Implementing the optimal absorber, the frequency response amplitude of θ{sub 2} was reduced by more than 98% and 80% at the first and second natural frequencies of the primary system, respectively. A reduction of more than 94% and 78%, was observed for the shoulder joint angle, θ{sub 1}. The objective function also decreased by more than 46%. Then, two types of random inputs were considered. For the first type, θ{sub 1} and θ {sub 2} revealed 60% and 39% reduction in their rms values, whereas for the second type, 33% and 50% decrease was observed.

The z = 1.6748 C I Absorber Toward the QSO PKS 1756+237

Science.gov (United States)

Roth, Katherine C.; Bauer, James M.; Jim, Kevin T. C.

We have detected C I ground-state absorption at zabs = 1.6748 toward the QSO PKS 1756+237 (zem = 1.725), making this only the fourth known C I QSO absorber. The absence of excited-state fine-structure C I lines is compatible with the redshifted Cosmic Microwave Background Radiation at an expected temperature of TCMBR (1+z) = 7.291 K (Mather et al. 1994, ApJ, 354, L37). We find a 2 σ upper-limit on the C I excitation temperature of Tex <= 7.73(+0.53, -0.46) K (Roth & Bauer 1999, ApJ, submitted). Our Keck HIRES spectra (8.3 km s-1 FWHM) obtained in May 1997 also reveal the existence of Ni II and Fe II lines with a sub-solar Ni/Fe abundance ratio, presumably indicative of dust. We have obtained deep, high resolution (0.3'' FWHM) images in H+K' with the UH 2.2m Tip-Tilt system of the QSO field in order to identify the system responsible for the zabs = 1.6748 absorption. We detect two faint candidate systems within 1.5'' and 3'' (≅ 15 and 30 kpc, Hcirc = 65) of the QSO.

H. David Politzer, Asymptotic Freedom, and Strong Interaction

Science.gov (United States)

dropdown arrow Site Map A-Z Index Menu Synopsis H. David Politzer, Asymptotic Freedom, and Strong Interaction Resources with Additional Information H. David Politzer Photo Credit: California Institute of Technology H. David Politzer has won the 2004 Nobel Prize in Physics 'for the discovery of asymptotic freedom

Spotting high-z molecular absorbers using neutral carbon. Results from a complete spectroscopic survey with the VLT

Science.gov (United States)

Noterdaeme, P.; Ledoux, C.; Zou, S.; Petitjean, P.; Srianand, R.; Balashev, S.; López, S.

2018-04-01

While molecular quasar absorption systems provide unique probes of the physical and chemical properties of the gas as well as original constraints on fundamental physics and cosmology, their detection remains challenging. Here we present the results from a complete survey for molecular gas in thirty-nine absorption systems selected solely upon the detection of neutral carbon lines in Sloan Digital Sky Survey (SDSS) spectra, without any prior knowledge of the atomic or molecular gas content. H2 is found in all twelve systems (including seven new detections) where the corresponding lines are covered by the instrument setups and measured to have logN(H2) ≳ 18, indicating a self-shielded regime. We also report seven CO detections (7/39) down to logN(CO) 13.5, including a new one, and put stringent constraints on N(CO) for the remaining 32 systems. N(CO) and N(C I) are found to be strongly correlated with N(CO)/N(C I) 1/10. This suggests that the C I-selected absorber population is probing gas deeper than the H I–H2 transition in which a substantial fraction of the total hydrogen in the cloud is in the form of H2. We conclude that targeting C I-bearing absorbers is a very efficient way to find high-metallicity molecular absorbers. However, probing the molecular content in lower-metallicity regimes as well as high-column-density neutral gas remains to be undertaken to unravel the processes of gas conversion in normal high-z galaxies. Based on observations and archival data from the European Southern Observatory (ESO) prog. IDs 060.A-9024, 072.A-0346, 278.A-5062, 080.A-0482, 080.A-0795, 081.A-0242, 081.A-0334, 082.A-0544, 082.A-0569, 083.A-0454, 084.A-0699, 086.A-0074 and 086.A-0643 using the Ultraviolet and Visual Echelle Spectrograph (UVES) and X-shooter at the Very Large Telescope (VLT), on Cerro Paranal, Chile.

Quasar 2175 Å dust absorbers - II. Correlation analysis and relationship with other absorption line systems

Science.gov (United States)

Ma, Jingzhe; Ge, Jian; Prochaska, J. Xavier; Zhang, Shaohua; Ji, Tuo; Zhao, Yinan; Zhou, Hongyan; Lu, Honglin; Schneider, Donald P.

2018-03-01

We present the cold neutral content (H I and C I gas) of 13 quasar 2175 Å dust absorbers (2DAs) at z = 1.6-2.5 to investigate the correlation between the presence of the UV extinction bump with other physical characteristics. These 2DAs were initially selected from the Sloan Digital Sky Surveys I-III and followed up with the Keck-II telescope and the Multiple Mirror Telescope as detailed in our Paper I. We perform a correlation analysis between metallicity, redshift, depletion level, velocity width, and explore relationships between 2DAs and other absorption line systems. The 2DAs on average have higher metallicity, higher depletion levels, and larger velocity widths than Damped Lyman α absorbers (DLAs) or subDLAs. The correlation between [Zn/H] and [Fe/Zn] or [Zn/H] and logΔV90 can be used as alternative stellar mass estimators based on the well-established mass-metallicity relation. The estimated stellar masses of the 2DAs in this sample are in the range of ˜109 to ˜2 × 1011 M⊙ with a median value of ˜2 × 1010 M⊙. The relationship with other quasar absorption line systems can be described as (1) 2DAs are a subset of Mg II and Fe II absorbers, (2) 2DAs are preferentially metal-strong DLAs/subDLAs, (3) More importantly, all of the 2DAs show C I detections with logN(C I) > 14.0 cm-2, and (4) 2DAs can be used as molecular gas tracers. Their host galaxies are likely to be chemically enriched, evolved, massive (more massive than typical DLA/subDLA galaxies), and presumably star-forming galaxies.

Hydrogen insertion in titanium carbide based thin films (nc-TiC{sub x}/a-C:H) - comparison with bulk TiC{sub x}

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Julien; Jaoul, Cédric, E-mail: jaoul@ensil.unilim.fr; Glandut, Nicolas; Lefort, Pierre

2016-08-01

Nanocomposites composed of titanium carbide nanosized grains embedded in an amorphous hydrogenated carbon matrix (nc-TiC{sub x}/a-C:H) are prepared by hybrid Magnetron Sputtering - PECVD process using a titanium metal target and gaseous C{sub 6}H{sub 6}. By controlling the benzene flow rate, thin films with different carbon content are obtained. The structures of nc-TiC{sub x}/a-C:H materials are analyzed by X-ray diffraction, X-ray photoelectron and Raman spectroscopic methods. The electrochemical hydrogen insertion, as studied by cyclic voltammetry, strongly depends on the carbon content in the thin films. The correlation between the hydrogen insertion ability and the structure of materials are discussed. Furthermore, we show that the hydrogen insertion in these thin films reaches values much more significant than in bulk substoichiometric titanium carbide obtained by reactive sintering. - Highlights: • nc-TiC{sub x}/a-C:H thin films are prepared hybrid Magnetron Sputtering - PECVD process. • Different carbon contents are obtained by changing the hydrocarbon flowrate. • Expanded lattice parameter of the TiC{sub x} phase and a-C:H phase are observed. • Electrochemical hydrogen insertion strongly depends on the carbon content. • The maximum insertion is 22 times more important than bulk TiC{sub x}.

Hydrogen behaviour study in plasma facing a-C:H and a-SiC:H hydrogenated amorphous materials for fusion reactors

International Nuclear Information System (INIS)

Barbier, Gauzelin

1997-01-01

Plasma facing components of controlled fusion test devices (tokamaks) are submitted to several constraints (irradiation, high temperatures). The erosion (physical sputtering and chemical erosion) and the hydrogen recycling (retention and desorption) of these materials influence many plasma parameters and thus affect drastically the tokamak running. Firstly, we will describe the different plasma-material interactions. It will be pointed out, how erosion and hydrogen recycling are strongly related to both chemical and physical properties of the material. In order to reduce this interactions, we have selected two amorphous hydrogenated materials (a-C:H and a-SiC:H), which are known for their good thermal and chemical qualities. Some samples have been then implanted with lithium ions at different fluences. Our materials have been then irradiated with deuterium ions at low energy. From our results, it is shown that both the lithium implantation and the use of an a-SiC:H substrate can be benefit in enhancing the hydrogen retention. These results were completed with thermal desorption studies of these materials. It was evidenced that the hydrogen fixation was more efficient in a -SiC:H than in a-C:H substrate. Results in good agreement with those described above have been obtained by exposing a-C:H and a-SiC:H samples to the scrape off layer of the tokamak of Varennes (TdeV, Canada). A modeling of hydrogen diffusion under irradiation has been also proposed. (author)

Study of the strongly ionized medium in active galactic n ('Warm Absorber'): multi-wavelength modelling and plasma diagnostics in the X-ray spectral range

International Nuclear Information System (INIS)

Porquet, Delphine

1999-01-01

The so-called 'Warm Absorber' medium is observed in the central region of Active Galactic Nuclei and particularly in Seyfert l galaxies. lt is mainly characterized by O(VII) and O(VIII) absorption edges detected in the soft X-rays. Its study (modelization and observation) is an important key tool to understand Active Galactic Nuclei. The work presented here consists in modelling the Warm Absorber, and in developing X-ray spectroscopy diagnostics to constrain the physical parameters of any hot medium such as the Warm Absorber. The physical parameters of the Warm Absorber (density, temperature, ionization processes..) are difficult to determine only on the basis of present X-ray data. In particular, the value of the density cannot be derived only from the modelling of the resonance lines and of the soft X-ray absorption edges since there are almost insensitive to the density in the range of values expected for the Warm Absorber. lt is why we have developed diagnostic methods based on a multi-wavelength approach. The modelling is made with two complementary computational codes: PEGAS, and IRIS which takes into account the most accurate atomic data. With these two codes, we have modelled several types of plasma ionisation processes (photoionized plasmas and/or collisional). Results for the Warm Absorber were compared to multi-wavelength observations (mainly the optical iron coronal lines [Fe X] 6375 Angstroms, [Fe XI] 7892 Angstroms, and [Fe XIV] 5303 Angstroms). The proposed method has allowed to show that the Warm Absorber could be responsible of the emission of these lines totally or partially. All models of the Warm Absorber producing coronal line equivalent widths larger than observed were ruled out. This strongly constrains the physical parameters of the Warm Absorber, and particularly its density (n H ≥10 10 cm -3 ). The new generation of X-ray satellites (Chandra/AXAF, XMM...) will produce spectra at high spectral resolution and high sensitivity

Strong correlation between Jc(T, H||c) and Jc(77 K, 3 T||c) in Zr-added (Gd, Y)BaCuO coated conductors at temperatures from 77 down to 20 K and fields up to 9 T

International Nuclear Information System (INIS)

Xu, A; Delgado, L; Heydari Gharahcheshmeh, M; Khatri, N; Liu, Y; Selvamanickam, V

2015-01-01

We have conducted a critical current density J c (T, H) study over a wide temperature T from 77 down to 20 K and a magnetic field H up to 9 T on more than 50 ∼ 0.9 μm-thick REBa 2 Cu 3 O 7−δ (RE = rare earth) thin films containing different concentrations of BaZrO 3 (BZO). We found that, independent of the composition, there is a linear correlation between J c (77 K, 3 T||c) and J c (T, H||c) at T down to 20 K and H up to 9 T. Moreover, J c (77 K, 3 T||c) is also linearly correlated to J c (T, H||ab) below 40 K. We ascribed this linear correlation to the dominant pinning source of BZO nanorods, which act as a strong correlated pinning at T above ∼30 K and provide weak uncorrelated point pins at lower temperatures. Our result emphasizes that J c (77 K, 3 T||c) is a key metric for metal-organic chemical vapor deposited REBa 2 Cu 3 O 7−δ coated conductors. (fast track communication)

Radiation and shielding around beam absorbers

International Nuclear Information System (INIS)

Hurkmans, A.; Maas, R.

1978-12-01

During operational conditions it is anticipated that a fair amount of the total available beam power is dumped in either the slit system on one of the beam dumps. Thses beam absorbers therefore become strong radioactive sources. The radiation level due to the absorption of a 100 kW electron beam is estimated and the problem of residual activity is treated. Proposed shielding materials are discussed. (C.F.)

Facile synthesis and microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere and multi-shelled NiO hollow sphere

International Nuclear Information System (INIS)

Wu, Hongjing; Wu, Guanglei; Wu, Qiaofeng; Wang, Liuding

2014-01-01

We reported the preparation of C@Ni–NiO core–shell hybrid solid spheres or multi-shelled NiO hollow spheres by combining a facile hydrothermal route with a calcination process in H 2 or air atmosphere, respectively. The synthesized C@Ni–NiO core–shell solid spheres with diameters of approximately 2–6 μm were in fact built from dense NiO nanoparticles coated by random two-dimensional metal Ni nanosheets without any visible pores. The multi-shelled NiO hollow spheres were built from particle-like ligaments and there are a lot of pores with size of several nanometers on the surface. Combined Raman spectra with X-ray photoelectron spectra (XPS), it suggested that the defects in the samples play a limited role in the dielectric loss. Compared with the other samples, the permeability of the samples calcined in H 2 and air was increased slightly and the natural resonance frequency shifted to higher frequency (7, 11 and 14 GHz, respectively), leading to an enhancement of microwave absorption property. For the sample calcined in H 2 , an optimal reflection loss less than − 10 was obtained at 7 GHz with a matching thickness of 5.0 mm. Our study demonstrated the potential application of C@Ni–NiO core–shell hybrid solid sphere or multi-shelled NiO hollow sphere as a more efficient electromagnetic (EM) wave absorber. - Highlights: • C@Ni–NiO core–shell hybrid solid sphere was synthesized by a facile method. • Multi-shelled NiO hollow sphere was synthesized by a facile method. • It suggested that the defects in the samples play a limited role in dielectric loss. • The permeability of the samples calcined in H 2 and air was increased. • Microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere was investigated

1,4-Iron Migration for Expedient Allene Annulations through Iron-Catalyzed C-H/N-H/C-O/C-H Functionalizations.

Science.gov (United States)

Mo, Jiayu; Müller, Thomas; Oliveira, João C A; Ackermann, Lutz

2018-06-25

C-H activation bears great potential for enabling sustainable molecular syntheses in a step- and atom-economical manner, with major advances having been realized with precious 4d and 5d transition metals. In contrast, we employed earth abundant, nontoxic iron catalysts for versatile allene annulations through a unique C-H/N-H/C-O/C-H functionalization sequence. The powerful iron catalysis occurred under external-oxidant-free conditions even at room temperature, while detailed mechanistic studies revealed an unprecedented 1,4-iron migration regime for facile C-H activations. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The unprecedented metamorphosis of SN2014C: from a H-stripped explosion to a strongly interacting supernova

Science.gov (United States)

Margutti, Raffaella

2015-09-01

Mass loss in massive stars is one of the least understood yet fundamental aspects of stellar evolution. HOW and WHEN do massive stars lose their H-envelopes? This central question motivates this proposal. We request a modest investment of Chandra time over 3 years to map the unique situation of the interaction of a H-stripped SN2014C with a H-rich shell ejected by its progenitor star, as part of our extensive radio-to-gamma-ray follow-up. Our goal is to constrain the density profile and proximity of the ejected material, and hence the mass-loss history of the progenitor star. Unlike all other H-stripped SNe, the radio and X-ray emission of SN14C is still increasing at 400 days, giving us the unprecedented opportunity to constrain the epoch ejection of H-rich material in fine detail.

MODERATE C IV ABSORBER SYSTEMS REQUIRE 1012 M☉ DARK MATTER HALOS AT z ∼ 2.3: A CROSS-CORRELATION STUDY OF C IV ABSORBER SYSTEMS AND QUASARS IN SDSS-III BOSS DR9

International Nuclear Information System (INIS)

Vikas, Shailendra; Wood-Vasey, W. Michael; Lundgren, Britt; Ross, Nicholas P.; Myers, Adam D.; AlSayyad, Yusra; York, Donald G.; Schneider, Donald P.; Brinkmann, J.; Bizyaev, Dmitry; Brewington, Howard; Malanushenko, Elena; Malanushenko, Viktor; Oravetz, Daniel; Pan, Kaike; Snedden, Stephanie; Ge, Jian; Muna, Demitri; Pâris, Isabelle; Petitjean, Patrick

2013-01-01

We measure the two-point cross-correlation function of C IV absorber systems and quasars, using spectroscopic data from the Sloan Digital Sky Survey III Baryon Oscillation Spectroscopic Survey (BOSS; Data Release 9). The 19,701 quasars and 6149 C IV ''moderate'' absorbers, 0.28 Å 2 and represent a factor of two increase in sample size over previous investigations. We find a correlation scale length and slope of the redshift-space cross-correlation function of s 0 = 8.46 ± 1.24 Mpc, γ = 1.68 ± 0.19, in the redshift-space range 10 0 = 7.76 ± 2.80 Mpc, γ = 1.74 ± 0.21. We measure the combined quasar and C IV bias to be b QSO b C I V = 8.81 ± 2.28. Using an estimate of b QSO from the quasar auto-correlation function we find b CIV = 2.38 ± 0.62. This b CIV implies that EW > 0.28 Å C IV absorbers at z ∼ 2.3 are typically found in dark matter halos that have masses ≥10 11.3 -10 13.4 M ☉ at that redshift. The complete BOSS sample will triple the number of both quasars and absorption systems and increase the power of this cross-correlation measurement by a factor of two.

Size of the z = 0.437 H I absorption region toward the QSO 3C 196

International Nuclear Information System (INIS)

Brown, R.L.; Benson, J.M.; Broderick, J.J.; Johnston, K.J.; Mitchell, K.J.

1988-01-01

VLBI spectral line observations made at the frequency of the z = 0.437 H I absorption line toward the extended radio QSO 3C 196 demonstrate that the absorption does not occur against the more compact continuum structure in this object. Apparently the H I absorption line results from absorption of the lower brightness continuum emission by an intervening cloud with an angular diameter which must be greater than 0.63 arcsec. For a standard cosmology, this corresponds to a linear extent greater than 2.25 kpc. For a spherical cloud, the mass of absorbing gas is near 7 x 10 to the 7th solar masses. Thus this particular QSO absorbing cloud is surprisingly large and massive. 22 references

Towards corrosion testing of unglazed solar absorber surfaces in simulated acid rain

International Nuclear Information System (INIS)

Salo, T.; Pehkonen, A.; Konttinen, P.; Lund, P.

2005-01-01

Electrochemical impedance spectroscopy and potentiodynamic polarization tests were utilized for determining corrosion probabilities of unglazed C/Al 2 O 3 /Al solar absorber surfaces in simulated acid rain. Previously, the main degradation mechanism found was exponentially temperature-related hydration of aluminium oxide. In acid rain tests the main corrosion determinant was the pH value of the rain. Results indicate that these methods measure corrosion characteristics of Al substrate instead of the C/Al 2 O 3 /Al surface, probably mainly due to the rough and non-uniform microstructure of the latter. Further analyses of the test methods are required in order to estimate their applicability on Al-based uniform sputtered absorber surfaces. (author) (C/Al 2 O 3 /Al solar absorber; Acid rain; Corrosion; Electrochemical tests)

Study of the unimolecular decompositions of the (C3H6)+2 and (c-C3H6)+2 complexes

International Nuclear Information System (INIS)

Tzeng, W.; Ono, Y.; Linn, S.H.; Ng, C.Y.

1985-01-01

The major product channels identified in the unimolecular decompositions ofC 3 H + 6 xC 3 H 6 and c-C 3 H + 6 xc-C 3 H 6 in the total energy [neutral (C 3 H 6 ) 2 or (c-C 3 H 6 ) 2 heat of formation plus excitation energy] range of approx.230--450 kcal/mol are C 3 H + 7 +C 3 H 5 , C 4 H + 7 +C 2 H 5 , C 4 H + 8 +C 2 H 4 , and C 5 H + 9 +CH 3 . The measured appearance energy for C 4 H + 7 (9.54 +- 0.04 eV) from (C 3 H 6 ) 2 is equal to the thermochemical threshold for the formation of C 4 H + 7 +C 2 H 5 from (C 3 H 6 ) 2 , indicating that the exit potential energy barrier for the ion--molecule reaction C 3 H + 6 +C 3 H 6 →C 4 H + 7 +C 2 H 5 is negligible. There is evidence that the formations of C 4 H + 7 +C 2 H 4 +H from (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 also proceed with high probabilities when they are energetically allowed. The variations of the relative abundances for C 4 H + 7 ,C 4 H + 8 , and C 5 H + 9 from (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 as a function of ionizing photon energy are in qualitative agreement, suggesting that (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 rearrange to similar C 6 H + 12 isomers prior to fragmentation. The fact that C 6 H + 11 is found to be a primary ion from the unimolecular decomposition of (c-C 3 H 6 ) + 2 but not (C 3 H 6 ) + 2 supports the conclusion that the distribution of C 6 H + 12 collision complexes involved in the C 3 H + 6 +C 3 H 6 reactions is different from that in the cyclopropane ion--molecule reactions

Fabrication and surface passivation of porous 6H-SiC by atomic layer deposited films

DEFF Research Database (Denmark)

Lu, Weifang; Ou, Yiyu; Petersen, Paul Michael

2016-01-01

Porous 6H-SiC samples with different thicknesses were fabricated through anodic etching in diluted hydrofluoric acid. Scanning electron microscope images show that the dendritic pore formation in 6HSiC is anisotropic, which has different lateral and vertical formation rates. Strong photoluminesce...... above the 6H-SiC crystal band gap, which suggests that the strong photoluminescence is ascribed to surface state produced during the anodic etching....

Black Cr/a-Cr2O3 nanoparticles based solar absorbers

CSIR Research Space (South Africa)

Khamlich, S

2012-01-01

Full Text Available and attenuated total reflection, as well as UV–vis diffuse reflectance spectroscopy. The samples aged for more than 40 h at 75 °C exhibit the targeted high absorbing optical characteristic “Black chrome” while those aged for =40 h show a significant high UV–vis...

Cleavage of sp3 C-O bonds via oxidative addition of C-H bonds.

Science.gov (United States)

Choi, Jongwook; Choliy, Yuriy; Zhang, Xiawei; Emge, Thomas J; Krogh-Jespersen, Karsten; Goldman, Alan S

2009-11-04

(PCP)Ir (PCP = kappa(3)-C(6)H(3)-2,6-[CH(2)P(t-Bu)(2)](2)) is found to undergo oxidative addition of the methyl-oxygen bond of electron-poor methyl aryl ethers, including methoxy-3,5-bis(trifluoromethyl)benzene and methoxypentafluorobenzene, to give the corresponding aryloxide complexes (PCP)Ir(CH(3))(OAr). Although the net reaction is insertion of the Ir center into the C-O bond, density functional theory (DFT) calculations and a significant kinetic isotope effect [k(CH(3))(OAr)/k(CD(3))(OAr) = 4.3(3)] strongly argue against a simple insertion mechanism and in favor of a pathway involving C-H addition and alpha-migration of the OAr group to give a methylene complex followed by hydride-to-methylene migration to give the observed product. Ethoxy aryl ethers, including ethoxybenzene, also undergo C-O bond cleavage by (PCP)Ir, but the net reaction in this case is 1,2-elimination of ArO-H to give (PCP)Ir(H)(OAr) and ethylene. DFT calculations point to a low-barrier pathway for this reaction that proceeds through C-H addition of the ethoxy methyl group followed by beta-aryl oxide elimination and loss of ethylene. Thus, both of these distinct C-O cleavage reactions proceed via initial addition of a C(sp(3))-H bond, despite the fact that such bonds are typically considered inert and are much stronger than C-O bonds.

Liquid absorber experiments in ZED-2

International Nuclear Information System (INIS)

McDonnell, F.N.

1975-07-01

A set of liquid absorber experiments was performed in ZED-2 to provide data with which to test the adequacy of calculational methods for zone controller and refuelling studies associated with advanced reactor concepts. The absorber consisted of a full length aluminum tube, containing either i)H 2 O, ii)H 2 O + boron (2.5 mg/ml) or iii)H 2 O + boron (8.0 mg/ml). The tube was suspended vertically at interstitial or in-channel locations. A U-tube absorber was also simulated using two absorber tubes with appropriate spacers. Experiments were carried out at two different square lattice pitches, 22.86 and 27.94 cm. Measurements were made of the reactivity effects of the absorbers and, in some cases, of the detailed flux distribution near the perturbation. The results from one calculational method, the source-sink approach, were compared with the data from selected experiments. (author)

Triosmium cluster compounds containing isocyanide and hydride ligands. Crystal and molecular structures of (μ-H)(H)Os3(CO)10(CN-t-C4H9) and (μ-H)2Os3(CO)9(CN-t-C4H9)

International Nuclear Information System (INIS)

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

1979-01-01

The structures of the compounds (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ) and (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ) have been revealed by x-ray crystallographic techniques. For (μ-H)(H)Os 3 (CO) 10 (CN-t-C 4 H 9 ): a = 9.064 (3), b = 12.225 (3), c = 20.364 (4) A; β = 98.73 (3) 0 ; space group P2 1 /c[C/sub 2h/ 5 ], No. 14; Z = 4; d/sub calcd/ = 2.79 g cm -3 . This compound contains a triangular cluster of three osmium atoms; Os(1)--Os(2) = 2.930 (1) A, Os(1)--Os(3) = 2.876 (1) A, and Os(2)--Os(3) = 3.000 (1) A. There are ten linear terminal carbonyl groups and one linear terminal isocyanide ligand which occupies an axial coordination site. The hydrogen atoms were not observed crystallographically, but their positions are strongly inferred from considerations of molecular geometry. For (μ-H) 2 Os 3 (CO) 9 (CN-t-C 4 H 9 ): a = 15.220 (8), b = 12.093 (6), c = 23.454 (5) A; space group Pbcn [D/sub 2h/ 14 ], No. 60; Z = 8; d/sub calcd/ = 2.79 g cm -3 . The compound is analogous to the parent carbonyl (μ-H) 2 Os 3 (CO) 10 and has two normal and one short osmium--osmium bonds: Os(1)--Os(2) = 2.827 (1) A, Os(1)--Os(3) = 2.828 (1) A, Os(2)--Os(3) = 2.691 (1) A. The isocyanide ligand resides in an equatorial coordination site on osmium Os(2). The hydrogen atoms were not observed but are believed to occupy bridging positions as in the parent carbonyl complex. 2 figures, 7 tables

PREFACE: Strongly correlated electron systems Strongly correlated electron systems

Science.gov (United States)

Saxena, Siddharth S.; Littlewood, P. B.

2012-07-01

make use of 'small' electrons packed to the highest possible density. These are by definition 'strongly correlated'. For example: good photovoltaics must be efficient optical absorbers, which means that photons will generate tightly bound electron-hole pairs (excitons) that must then be ionised at a heterointerface and transported to contacts; efficient solid state refrigeration depends on substantial entropy changes in a unit cell, with large local electrical or magnetic moments; efficient lighting is in a real sense the inverse of photovoltaics; the limit of an efficient battery is a supercapacitor employing mixed valent ions; fuel cells and solar to fuel conversion require us to understand electrochemistry on the scale of a single atom; and we already know that the only prospect for effective high temperature superconductivity involves strongly correlated materials. Even novel IT technologies are now seen to have value not just for novel function but also for efficiency. While strongly correlated electron systems continue to excite researchers and the public alike due to the fundamental science issues involved, it seems increasingly likely that support for the science will be leveraged by its impact on energy and sustainability. Strongly correlated electron systems contents Strongly correlated electron systemsSiddharth S Saxena and P B Littlewood Magnetism, f-electron localization and superconductivity in 122-type heavy-fermion metalsF Steglich, J Arndt, O Stockert, S Friedemann, M Brando, C Klingner, C Krellner, C Geibel, S Wirth, S Kirchner and Q Si High energy pseudogap and its evolution with doping in Fe-based superconductors as revealed by optical spectroscopyN L Wang, W Z Hu, Z G Chen, R H Yuan, G Li, G F Chen and T Xiang Structural investigations on YbRh2Si2: from the atomic to the macroscopic length scaleS Wirth, S Ernst, R Cardoso-Gil, H Borrmann, S Seiro, C Krellner, C Geibel, S Kirchner, U Burkhardt, Y Grin and F Steglich Confinement of chiral magnetic

New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

International Nuclear Information System (INIS)

Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

2012-01-01

Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

Palladium-catalysed electrophilic aromatic C-H fluorination

Science.gov (United States)

Yamamoto, Kumiko; Li, Jiakun; Garber, Jeffrey A. O.; Rolfes, Julian D.; Boursalian, Gregory B.; Borghs, Jannik C.; Genicot, Christophe; Jacq, Jérôme; van Gastel, Maurice; Neese, Frank; Ritter, Tobias

2018-02-01

Aryl fluorides are widely used in the pharmaceutical and agrochemical industries, and recent advances have enabled their synthesis through the conversion of various functional groups. However, there is a lack of general methods for direct aromatic carbon-hydrogen (C-H) fluorination. Conventional methods require the use of either strong fluorinating reagents, which are often unselective and difficult to handle, such as elemental fluorine, or less reactive reagents that attack only the most activated arenes, which reduces the substrate scope. A method for the direct fluorination of aromatic C-H bonds could facilitate access to fluorinated derivatives of functional molecules that would otherwise be difficult to produce. For example, drug candidates with improved properties, such as increased metabolic stability or better blood-brain-barrier penetration, may become available. Here we describe an approach to catalysis and the resulting development of an undirected, palladium-catalysed method for aromatic C-H fluorination using mild electrophilic fluorinating reagents. The reaction involves a mode of catalysis that is unusual in aromatic C-H functionalization because no organometallic intermediate is formed; instead, a reactive transition-metal-fluoride electrophile is generated catalytically for the fluorination of arenes that do not otherwise react with mild fluorinating reagents. The scope and functional-group tolerance of this reaction could provide access to functional fluorinated molecules in pharmaceutical and agrochemical development that would otherwise not be readily accessible.

Formation of oxide-trapped charges in 6H-SiC MOS structures

Energy Technology Data Exchange (ETDEWEB)

Yoshikawa, Masahito; Ohshima, Takeshi; Itoh, Hisayoshi; Nashiyama, Isamu [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment; Okumura, Hajime; Yoshida, Sadafumi

1997-03-01

The silicon and the carbon faces of hexagonal silicon carbide (6H-SiC) substrates were oxidized pyrogenically at 1100degC, and the metal-oxide-semiconductor structures were formed on these faces. The MOS capacitors developed using the silicon and the carbon faces were irradiated with {sup 60}Co gamma-rays under argon atmosphere at room temperature. The bias voltages with the different polarity were applied to the gate electrode during irradiation to examine the formation mechanisms of the trapped charges in the oxides of these MOS capacitors. The amount of the trapped charges in the oxide were obtained from capacitance pulse voltage characteristics. The generation of the trapped charges are affects with not only the absorbed dose but also the bias polarity applied to the gate electrodes during irradiation. The formation mechanisms of the trapped charges in the oxides were estimated in conjunction with the surface orientation of 6H-SiC substrates. (author)

Study of the hydrogen behavior in amorphous hydrogenated materials of type a - C:H and a - SiC:H facing fusion reactor plasma

International Nuclear Information System (INIS)

Barbier, G.

1997-01-01

Plasma facing components of controlled fusion test devices (tokamaks) are submitted to several constraints (irradiation, high temperatures). The erosion (physical sputtering and chemical erosion) and the hydrogen recycling (retention and desorption) of these materials influence many plasma parameters and thus affect drastically the tokamak running. First, we will describe the different plasma-material interactions. It will be pointed out, how erosion and hydrogen recycling are strongly related to both chemical and physical properties of the material. In order to reduce these interactions, we have selected two amorphous hydrogenated materials (a-C:H and a-SiC:H), which are known for their good thermal and chemical qualities. Some samples have been then implanted with lithium ions at different fluences. Our materials have been then irradiated with deuterium ions at low energy. From our results, it is shown that both the lithium implantation and the use of an a - SiC:H substrate can be beneficial in enhancing the hydrogen retention. These results were completed with thermal desorption studies of these materials. It was evidenced that the hydrogen fixation was more efficient in a-SiC:H than in a-C:H substrate. Results in good agreement with those described above have been obtained by exposing a - C:H and a - SiC:H samples to the scrape off layer of the tokamak of Varennes (TdeV, Canada). A modelling of hydrogen diffusion under irradiation has been also proposed. (author)

Efficient removal of H2S at high temperature using the ionic liquid solutions of [C4mim]3PMo12O40-An organic polyoxometalate.

Science.gov (United States)

Ma, Yunqian; Liu, Xinpeng; Wang, Rui

2017-06-05

An innovative approach to H 2 S capture and sulfur recovery via liquid redox at high temperature has been developed using [C 4 mim] 3 PMo 12 O 40 at temperatures ranging from 80 to 180°C, which is superior to the conventional water-based system with an upper limit of working temperature normally below 60°C. The ionic liquids used as solvents include [C 4 mim]Cl, [C 4 mim]BF 4 , [C 4 mim]PF 6 and [C 4 mim]NTf 2 . Microscopic observation and turbidity measurement were used to investigate the dissolution of [C 4 mim] 3 PMo 12 O 40 in the ionic liquids. Stabilization energy between H 2 S and the anion of ionic liquid as well as H 2 O was calculated to illustrate the interaction between H 2 S and the solvents. The cavity theory can be adopted to illustrate the mechanism for H 2 S absorption: the Cl - ion with small radius can be incorporated into the cavities of [C 4 mim] 3 PMo 12 O 40 , and interact with H 2 S strongly. The underlying mechanism for sulfur formation is the redox reaction between H 2 S and PMo 12 O 40 3- . H 2 S can be oxidized to elemental sulfur and Mo 6+ is partly reduced during absorption, according to UV-vis and FTIR spectra. The [C 4 mim] 3 PMo 12 O 40 -[C 4 mim]Cl after reaction can be readily regenerated by air and thus enabling its efficient and repeatitive use. The absorbent of [C 4 mim] 3 PMo 12 O 40 -ionic liquid system provides a new approach for wet oxidation desulfurization at high temperature. Copyright © 2017 Elsevier B.V. All rights reserved.

Gas-phase reactivity of lanthanide cations with fluorocarbons: C-F versus C-H and C-C bond activation

International Nuclear Information System (INIS)

Cornehl, H.H.; Hornung, G.; Schwarz, H.

1996-01-01

The gas-phase reactivity of the fluorinated hydrocarbons CF 4 , CHF 3 , CH 3 F, C 2 F 6 , 1,1-C 2 H 4 F 2 , and C 6 F 6 with the lanthanide cations Ce + , Pr + , Sm + , Ho + , Tm + , and Yb + and the reactivity of C 6 H 5 F with all lanthanide cations Ln + (Ln = La-Lu, with the exception of Pm + ) have been examined by Fourier-transform ion cyclotron resonance mass spectrometry. The perfluorinated compounds tetrafluoromethane and hexafluoroethane as well as trifluoromethane do not react with any lanthanide cation. Selective activation of the strong C-F bonds in fluoromethane, 1,1-difluoroethane, hexafluorobenzene, and fluorobenzene appears as a general reaction scheme along the 4f row. Experimental evidence is given for a 'harpoon'-like mechanism for the F atom abstraction process which operates via an initial electron transfer from the lanthanide cation to the fluorinated substrate in the encounter complex Ln + RF. The most reactive lanthanides La + , Ce + , Gd + , and Tb + and also the formal closed-shell species Lu + exhibit additional C-H and C-C bond activation pathways in the reaction with fluorobenzene, namely dehydrohalogenation as well as loss of a neutral acetylene molecule. In the case of Tm + and Yb + the formation of neutral LnF 3 is observed in a multistep process via C-C coupling and charge transfer. 17 refs., 2 figs., 2 tabs

Benchmark solution of contemporary PWR integral fuel burnable absorbers

International Nuclear Information System (INIS)

Stucker, D.L.; Hone, M.J.; Holland, R.A.

1993-01-01

This paper presents a closely controlled benchmark solution of the two major contemporary pressurized water reactor integral burnable absorber designs: zirconium diboride (ZrB 2 ) and gadolinia (Gd 2 O 3 ). The comparison is accomplished using self-generating equilibrium cycles with equal energy, equal discharge burnup, and equal safety constraints. The reference plant for this evaluation is a 3411-MW(thermal) Westinghouse four-loop nuclear steam supply system operating with an inlet temperature of 285.9 degrees C, a core coolant mass now rate of 16877.3 kg/s, and coolant pressure of 15.5 MPa. The reactor consists of 193 VANTAGE 5H fuel assemblies that are discharged at a region average burnup of 48.4 GWd/tonne U. Each fuel assembly contains a natural uranium axial blanket 15.24 cm long at the top and the bottom of the fuel rod. The burnable absorber rods are symmetrically radially dispersed within the fuel assembly such that intrabundle power peaking is minimized. The burnable absorber material for both ZrB 2 and Gd 2 O 3 is axially zoned to the central 304.8 cm of the absorber-bearing fuel rods. The fuel management was constrained such that the thermal and safety limitations of F δH q -5 /degrees C were simultaneously achieved. The maximum long-term operating soluble boron concentration was also limited to 446 effective full-power days (EFPDs) including 14 EFPDs of power coastdown were assumed

Microscopic analysis of saturable absorbers: Semiconductor saturable absorber mirrors versus graphene

Energy Technology Data Exchange (ETDEWEB)

Hader, J.; Moloney, J. V. [Nonlinear Control Strategies, Inc., 3542 N. Geronimo Ave., Tucson, Arizona 85705 (United States); College of Optical Sciences, University of Arizona, Tucson, Arizona 85721 (United States); Yang, H.-J.; Scheller, M. [College of Optical Sciences, University of Arizona, Tucson, Arizona 85721 (United States); Koch, S. W. [Department of Physics and Materials Sciences Center, Philipps Universität Marburg, Renthof 5, 35032 Marburg (Germany)

2016-02-07

Fully microscopic many-body calculations are used to study the influence of strong sub-picosecond pulses on the carrier distributions and corresponding optical response in saturable absorbers used for mode-locking—semiconductor (quantum well) saturable absorber mirrors (SESAMs) and single layer graphene based saturable absorber mirrors (GSAMs). Unlike in GSAMs, the saturation fluence and recovery time in SESAMs show a strong spectral dependence. While the saturation fluence in the SESAM is minimal at the excitonic bandgap, the optimal recovery time and least pulse distortion due to group delay dispersion are found for excitation higher in the first subband. For excitation near the SESAM bandgap, the saturation fluence is about one tenth of that in the GSAM. At energies above the bandgap, the fluences in both systems become similar. A strong dependence of the saturation fluence on the pulse width in both systems is caused by carrier relaxation during the pulse. The recovery time in graphene is found to be about two to four times faster than that in the SESAMs. The occurrence of negative differential transmission in graphene is shown to be caused by dopant related carriers. In SESAMs, a negative differential transmission is found when exciting below the excitonic resonance where excitation induced dephasing leads to an enhancement of the absorption. Comparisons of the simulation data to the experiment show a very good quantitative agreement.

Degradation and mineralization of organic UV absorber compound 2-phenylbenzimidazole-5-sulfonic acid (PBSA) using UV-254 nm/H{sub 2}O{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Abdelraheem, Wael H.M. [Chemistry Department, Faculty of Science, Sohag University, Sohag 82524 (Egypt); Environmental Engineering and Science Program, University of Cincinnati, Cincinnati, OH 45221-0012 (United States); He, Xuexiang; Duan, Xiaodi [Environmental Engineering and Science Program, University of Cincinnati, Cincinnati, OH 45221-0012 (United States); NIREAS-International Water Research Center, University of Cyprus, Nicosia 1678 (Cyprus); Dionysiou, Dionysios D., E-mail: dionysios.d.dionysiou@uc.edu [Environmental Engineering and Science Program, University of Cincinnati, Cincinnati, OH 45221-0012 (United States); NIREAS-International Water Research Center, University of Cyprus, Nicosia 1678 (Cyprus)

2015-01-23

Graphical abstract: - Highlights: • UV-254 nm/H{sub 2}O{sub 2} AOP was utilized for the degradation and mineralization of PBSA and BSA. • Promotion of k{sub obs} with [H{sub 2}O{sub 2}]{sub 0} ≤ 4 mM and inhibition at higher [H{sub 2}O{sub 2}]{sub 0} were observed. • The S and N were released and monitored as SO{sub 4}{sup 2−} and NH{sub 4}{sup +}, respectively. • Br{sup −} inhibited both the degradation and mineralization much more significantly than Cl{sup −}. • There was an increase in [NH{sub 4}{sup +}] at higher [H{sub 2}O{sub 2}]{sub 0} and its further destruction at higher UV fluence. - Abstract: Various studies have revealed the non-biodegradable and endocrine disrupting properties of sulfonated organic UV absorbers, directing people's attention toward their risks on ecological and human health and hence their removal from water. In this study, UV-254 nm/H{sub 2}O{sub 2} advanced oxidation process (AOP) was investigated for degrading a model UV absorber compound 2-phenylbenzimidazole-5-sulfonic acid (PBSA) and a structurally similar compound 1H-benzimidazole-2-sulfonic acid (BSA), with a specific focus on their mineralization. At 4.0 mM [H{sub 2}O{sub 2}]{sub 0}, a complete removal of 40.0 μM parent PBSA and 25% decrease in TOC were achieved with 190 min of UV irradiation; SO{sub 4}{sup 2−} was formed and reached its maximum level while the release of nitrogen as NH{sub 4}{sup +} was much lower (around 50%) at 190 min. Sulfate removal was strongly enhanced by increasing [H{sub 2}O{sub 2}]{sub 0} in the range of 0–4.0 mM, with slight inhibition in 4.0–12.0 mM. Faster and earlier ammonia formation was observed at higher [H{sub 2}O{sub 2}]{sub 0}. The presence of Br{sup −} slowed down the degradation and mineralization of both compounds while a negligible effect on the degradation was observed in the presence of Cl{sup −}. Our study provides important technical and fundamental results on the HO{sup ·} based degradation and

Kinetics of the reactions H+C2H4->C2H5, H+C2H5->2CH3 and CH3+C2H5->products studies by pulse radiolysis combined with infrared diode laser spectroscopy

DEFF Research Database (Denmark)

Sillesen, A.; Ratajczak, E.; Pagsberg, P.

1993-01-01

Formation of methyl radicals via the consecutive reactions H+C2H4+M-->C2H5+M (1) and H+C2H5-->CH3+CH3 (2a) was initiated by pulse radiolysis of 10-100 mbar H-2 in the presence of ethylene. The kinetics of CH3 Were studied by monitoring the transient infrared absorption at the Q(3, 3) line of the ...

Study of the hydrogen behavior in amorphous hydrogenated materials of type a - C:H and a - SiC:H facing fusion reactor plasma; Etude du comportament de l`hydrogene dans des materiaux amorphes hydrogenes de type a - C:H et a - SiC:H devant faire face au plasma des reacteurs a fusion

Energy Technology Data Exchange (ETDEWEB)

Barbier, G. [Lyon-1 Univ., 69 - Villeurbanne (France). Inst. de Physique Nucleaire

1997-04-10

Plasma facing components of controlled fusion test devices (tokamaks) are submitted to several constraints (irradiation, high temperatures). The erosion (physical sputtering and chemical erosion) and the hydrogen recycling (retention and desorption) of these materials influence many plasma parameters and thus affect drastically the tokamak running. First, we will describe the different plasma-material interactions. It will be pointed out, how erosion and hydrogen recycling are strongly related to both chemical and physical properties of the material. In order to reduce these interactions, we have selected two amorphous hydrogenated materials (a-C:H and a-SiC:H), which are known for their good thermal and chemical qualities. Some samples have been then implanted with lithium ions at different fluences. Our materials have been then irradiated with deuterium ions at low energy. From our results, it is shown that both the lithium implantation and the use of an a - SiC:H substrate can be beneficial in enhancing the hydrogen retention. These results were completed with thermal desorption studies of these materials. It was evidenced that the hydrogen fixation was more efficient in a-SiC:H than in a-C:H substrate. Results in good agreement with those described above have been obtained by exposing a - C:H and a - SiC:H samples to the scrape off layer of the tokamak of Varennes (TdeV, Canada). A modelling of hydrogen diffusion under irradiation has been also proposed. (author) 176 refs.

Burnable neutron absorbers

International Nuclear Information System (INIS)

Radford, K.C.; Carlson, W.G.

1983-01-01

A neutron-absorber body for use in burnable poison rods in a nuclear reactor. The body is composed of a matrix of Al 2 O 3 containing B 4 C, the neutron absorber. Areas of high density polycrystalline Al 2 O 3 particles are predominantly encircled by pores in some of which there are B 4 C particles. This body is produced by initially spray drying a slurry of A1 2 O 3 powder to which a binder has been added. The powder of agglomerated spheres of the A1 2 O 3 with the binder are dry mixed with B 4 C powder. The mixed powder is formed into a green body by isostatic pressure and the green body is sintered. The sintered body is processed to form the neutron-absorber body. In this case the B 4 C particles are separate from the spheres resulting from the spray drying instead of being embedded in the sphere

The exotic molecular ion H43+ in a strong magnetic field

International Nuclear Information System (INIS)

Olivares P, H.

2006-01-01

Using the variational method, a detailed study of the lowest m = 0, -1 electronic states of the exotic molecular ion H3+ 4 in a strong magnetic field, in the linear symmetric configuration parallel to the direction of the magnetic field is carried out. A extended study of the 1σg ground state (J.C. Lopez and A.Turbiner, Phys. Rev A 62, 022510, 2000) was performed obtaining that the potential energy curve displays a sufficiently deep minimum for finite internuclear distances, indicating the possible existence of the molecular ion H 4 3+ , for magnetic fields of strength B > ∼ 3 x 10 13 G. It is demonstrated that the excited state 1π u , can exist for a magnetic field B = 4.414 x 10 13 G corresponding to the limit of applicability of the non-relativistic theory. (Author)

Studies on the selectivity of the reaction of (CO){sub 5}W=C(aryl)H with enynes: transfer of the carbene ligand to the C=C Bond versus insertion of the C triple bond C into the W=C Bond

Energy Technology Data Exchange (ETDEWEB)

Fischer, H.; Volkland, H.P.; Stumpf, R.

1996-10-01

The strongly electrophilic monophenylcarbene complex [(CO){sub 5}W=C(Ph)H] (2a) reacts with the enynes H-C triple bond C-R(R=-C(Me)=CH{sub 2})(3), -C{sub 6}H{sub 4}-CH=CH{sub 2}-p (5) and subsequently with PMe{sub 3} to form the C{sub a}lpha-PMe{sub 3} adducts of the vinylidene complexes [(CO){sub 5}W-{l_brace}C(PMe{sub 3})=CH-C{sub 3}H{sub 3}(Me)Ph{r_brace}] (4) and [(CO){sub 5}W {l_brace}C(PMe{sub 3})=CH-C{sub 6}H{sub 4}-C{sub 3}H{sub 4}Ph{r_brace}] (6). The reaction very likely proceeds by transfer of the carbene ligand to the C=C bond of the enyne to form a cyclopropyl-substituted alkyne complex which is in equilibrium with its vinylidene isomer.

Measurement of 2J(H,C)- and 3J(H,C)-coupling constants by α/β selective HC(C)H-TOCSY

International Nuclear Information System (INIS)

Duchardt, Elke; Richter, Christian; Reif, Bernd; Glaser, Steffen J.; Engels, Joachim W.; Griesinger, Christian; Schwalbe, Harald

2001-01-01

A new heteronuclear NMR pulse sequence for the measurement of n J(C,H) coupling constants, the α/βselective HC(C)H-TOCSY, is described. It is shown that the S 3 E element (Meissner et al., 1997a,b) can be used to obtain spin state selective coherence transfer in molecules, in which adjacent CH moieties are labeled with 13 C. Application of the α/β selective HC(C)H-TOCSY to a 10nt RNA tetraloop 5'-CGCUUUUGCG-3', in which the four uridine residues are 13 C labeled in the sugar moiety, allowed measurement of two bond and three bond J(C,H) coupling constants, which provide additional restraints to characterize the sugar ring conformation of RNA in cases of conformational averaging

Combustion/absorption process for the separation of {sup 14}C and {sup 3}H in radwastes released from nuclear power plants and their analysis

Energy Technology Data Exchange (ETDEWEB)

Ko, Young Gun, E-mail: ygko@kaeri.re.kr; Kim, Chang-Jong; Cho, Young Hyun; Chung, Kun Ho; Kang, Mun Ja

2017-06-05

Highlights: • {sup 14}CO{sub 2} and THO were produced by the combustion of radwaste samples. • The radioactivity of {sup 14}CO{sub 2} and THO absorbed sorbents were measured by LSC. • The CO{sub 2} absorption in the {sup 14}C sorbent was analyzed using by FT-IR and a rheometer. • The temperature and viscosity of the CO{sub 2} absorbed {sup 14}C sorbent was investigated. - Abstract: Radioactivities of {sup 3}H and {sup 14}C in spent radioactive ion exchange resins and spent radioactive lubricant oils released from nuclear power plants, has been determined using a combustion and sorption method (combustion method). The liquid scintillation counting (LSC) spectra showed that the interference of other radionuclides has not significantly affected the determination of radioactivities of {sup 3}H and {sup 14}C in the radwaste samples. The chemical structure of {sup 14}CO{sub 2}, which originated from the combustion of radwastes, trapped {sup 14}C sorbent has been investigated using Fourier transform infrared spectroscopy (FT-IR). FT-IR study showed interesting results that peaks for uncoupled CO{sub 2} and carbonic amide appeared at FT-IR spectra of CO{sub 2} high-absorbed {sup 14}C sorbents, while the peak for carbamate was only observed at the spectra of CO{sub 2} low-absorbed sorbents. During the CO{sub 2} sorption in {sup 14}C sorbent, temperature and viscosity of the sorbent increased owing to decrease of enthalpy and increase of apparent molecular weight of the sorbent caused by the bonding formation between sorbent molecules.

Biocompatible Silver-containing a-C:H and a-C coatings: AComparative Study

Energy Technology Data Exchange (ETDEWEB)

Endrino, Jose Luis; Allen, Matthew; Escobar Galindo, Ramon; Zhang, Hanshen; Anders, Andre; Albella, Jose Maria

2007-04-01

Hydrogenated diamond-like-carbon (a-C:H) and hydrogen-free amorphous carbon (a-C) coatings are known to be biocompatible and have good chemical inertness. For this reason, both of these materials are strong candidates to be used as a matrix that embeds metallic elements with antimicrobial effect. In this comparative study, we have incorporated silver into diamond-like carbon (DLC) coatings by plasma based ion implantation and deposition (PBII&D) using methane (CH4) plasma and simultaneously depositing Ag from a pulsed cathodic arc source. In addition, we have grown amorphous carbon - silver composite coatings using a dual-cathode pulsed filtered cathodic-arc (FCA) source. The silver atomic content of the deposited samples was analyzed using glow discharge optical spectroscopy (GDOES). In both cases, the arc pulse frequency of the silver cathode was adjusted in order to obtain samples with approximately 5 at.% of Ag. Surface hardness of the deposited films was analyzed using the nanoindentation technique. Cell viability for both a-C:H/Ag and a-C:/Ag samples deposited on 24-well tissue culture plates has been evaluated.

RIR MAPLE procedure for deposition of carbon rich Si/C/H films

International Nuclear Information System (INIS)

Dřínek, Vladislav; Strašák, Tomáš; Novotný, Filip; Fajgar, Radek; Bastl, Zdeněk

2014-01-01

We applied the resonant infrared matrix assisted pulsed laser evaporation (RIR MAPLE) technique to demonstrate a new approach to a controlled deposition of carbon rich amorphous Si/C/H film. In absence of radicals and accelerated species commonly generated in PECVD and sputtering setups, the RIR MAPLE method does not decompose precursor molecules. Moreover, unlike the standard MAPLE procedure, in which solvent molecules absorb laser energy from excimer or near infrared lasers, we applied the pulsed TEA CO 2 laser to excite the dendrimer precursor molecules in a frozen target. In this manner we achieved just cross-linking of the starting precursor on substrates and the deposition of carbon rich Si/C/H film. The film was analyzed by Fourier Transformed Infrared (FTIR), UV/VIS, Raman and X-ray Photoelectron (XPS) spectroscopy and Atomic Force Microscopy (AFM) technique. According to analyses the film retained the precursor elemental composition free of graphitic (sp 2 ) clusters. In course of reaction only the peripheral allyl groups containing C=C bonds were opened to achieve cross-linking. Whereas annealing to 300 °C was necessary for the elimination of =C–H 1 , 2 bonds in the films prepared at 200 °C, those bonds vanished completely for the films prepared at substrate temperature 255 °C. The film posseses a smooth surface with root mean square (RMS) parameter up to 10 nm within scanned distance 2.5 μm.

RIR MAPLE procedure for deposition of carbon rich Si/C/H films

Energy Technology Data Exchange (ETDEWEB)

Dřínek, Vladislav, E-mail: drinek@icpf.cas.cz [Institute of Chemical Process Fundamentals of the ASCR, v. v. i., Rozvojova 135, 165 02 Prague 6 (Czech Republic); Strašák, Tomáš [Institute of Chemical Process Fundamentals of the ASCR, v. v. i., Rozvojova 135, 165 02 Prague 6 (Czech Republic); Novotný, Filip [Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, 115 19 Prague (Czech Republic); Fajgar, Radek [Institute of Chemical Process Fundamentals of the ASCR, v. v. i., Rozvojova 135, 165 02 Prague 6 (Czech Republic); Bastl, Zdeněk [J. Heyrovsky Institute of Physical Chemistry of the ASCR, v. v. i., Dolejškova 2155/3, 182 23 Prague 8 (Czech Republic)

2014-02-15

We applied the resonant infrared matrix assisted pulsed laser evaporation (RIR MAPLE) technique to demonstrate a new approach to a controlled deposition of carbon rich amorphous Si/C/H film. In absence of radicals and accelerated species commonly generated in PECVD and sputtering setups, the RIR MAPLE method does not decompose precursor molecules. Moreover, unlike the standard MAPLE procedure, in which solvent molecules absorb laser energy from excimer or near infrared lasers, we applied the pulsed TEA CO{sub 2} laser to excite the dendrimer precursor molecules in a frozen target. In this manner we achieved just cross-linking of the starting precursor on substrates and the deposition of carbon rich Si/C/H film. The film was analyzed by Fourier Transformed Infrared (FTIR), UV/VIS, Raman and X-ray Photoelectron (XPS) spectroscopy and Atomic Force Microscopy (AFM) technique. According to analyses the film retained the precursor elemental composition free of graphitic (sp{sup 2}) clusters. In course of reaction only the peripheral allyl groups containing C=C bonds were opened to achieve cross-linking. Whereas annealing to 300 °C was necessary for the elimination of =C–H{sub 1}, {sub 2} bonds in the films prepared at 200 °C, those bonds vanished completely for the films prepared at substrate temperature 255 °C. The film posseses a smooth surface with root mean square (RMS) parameter up to 10 nm within scanned distance 2.5 μm.

Gamma-Ray Irradiation Effects on the Characteristics of New Material P Type 6H-SiC Ni-Schottky Diodes (Application For Nuclear Fuel Facilities)

International Nuclear Information System (INIS)

U-Sudjadi; T-Ohshima, N. Iwamoto; S-Hishiki; N-Iwamoto, K. Kawano

2007-01-01

Effects of gamma-ray irradiation on electrical characteristics of new material p type 6H-SiC Ni-Schottky diodes were investigated. Ni Schottky diodes fabricated on p type 6H-SiC epi-layer were irradiated with gamma-rays at RT. The electrical characteristics of the diodes were evaluated before and after irradiation. The value of the on-resistance does not change up to 1 MGy, and the value increases with increasing absorbed dose above 1 MGy. For n factor, no significant increase is observed below 500 kGy, however, the value increases above 500 kGy. Schottky Barrier Height (SBH) decreases with increasing absorbed dose. Leakage current tends to increase due to irradiation. (author)

Radioactive iodine absorbing properties of tetrathiafulvalene

Energy Technology Data Exchange (ETDEWEB)

Ito, Tomiyasu; Nakamura, Asao (Ajinomoto Co. Inc., Kawasaki, Kanagawa (Japan). Central Research Labs.); Nogawa, Norio; Oohashi, Kunio; Morikawa, Naotake

1989-05-01

For the purpose of searching some effective absorbents of gaseous radioactive iodine, 16 substances considered as having an affinity for iodine were investigated with regular iodine and /sup 125/I. In a preliminary survey, only tetrathiafulvalene (TTF) was found to have satisfactory absorbing properties comparable to activated charcoal. A further detailed comparison of the properties between TTF and activated charcoal led us to the conclusion that the former has more preferable properties as absorbent of radioactive iodine than the latter in all points studied. The results are summarized as follows: (1) The absorption of iodine on TTF in atmosphere was about twice as much as that on activated charcoal. Desorption of iodine from saturatedly absorbed iodine on TTF was practically negligible except trace amount of initial desorption, while that on activated charcoal was considerable (3%/50h) even in the air at room temperature. (2) Absorbed amount of iodine on activated charcoal decreased with increasing gaseous iodine concentration, air flow rate, on humidity of flowing-air. On the other hand, those factors scarcely affected that on TTF. Under an air flow rate of 1m/s, activated charcoal absorbs only 80% of iodine, while TTF absorbs more than 99%. (3) In flowing-air saturated with water vapor, iodine absorbed on activated charcoal was gradually liberated although by small amount (0.08%/100h), while that on TTF was much more stable for a long period (0.004%/100h). As a conclusion, TTF is considered to be useful as a quite effective radioactive iodine absorbent, especially in the case where protection from radioactive iodine should be serious, though it is expensive now. (author).

Radioactive iodine absorbing properties of tetrathiafulvalene

International Nuclear Information System (INIS)

Ito, Tomiyasu; Nakamura, Asao; Nogawa, Norio; Oohashi, Kunio; Morikawa, Naotake.

1989-01-01

For the purpose of searching some effective absorbents of gaseous radioactive iodine, 16 substances considered as having an affinity for iodine were investigated with regular iodine and 125 I. In a preliminary survey, only tetrathiafulvalene (TTF) was found to have satisfactory absorbing properties comparable to activated charcoal. A further detailed comparison of the properties between TTF and activated charcoal led us to the conclusion that the former has more preferable properties as absorbent of radioactive iodine than the latter in all points studied. The results are summarized as follows: (1) The absorption of iodine on TTF in atmosphere was about twice as much as that on activated charcoal. Desorption of iodine from saturatedly absorbed iodine on TTF was practically negligible except trace amount of initial desorption, while that on activated charcoal was considerable (3%/50h) even in the air at room temperature. (2) Absorbed amount of iodine on activated charcoal decreased with increasing gaseous iodine concentration, air flow rate, on humidity of flowing-air. On the other hand, those factors scarcely affected that on TTF. Under an air flow rate of 1m/s, activated charcoal absorbs only 80% of iodine, while TTF absorbs more than 99%. (3) In flowing-air saturated with water vapor, iodine absorbed on activated charcoal was gradually liberated although by small amount (0.08%/100h), while that on TTF was much more stable for a long period (0.004%/100h). As a conclusion, TTF is considered to be useful as a quite effective radioactive iodine absorbent, especially in the case where protection from radioactive iodine should be serious, though it is expensive now. (author)

Si/C and H coadsorption at 4H-SiC{0001} surfaces

Energy Technology Data Exchange (ETDEWEB)

Wachowicz, E., E-mail: elwira@ifd.uni.wroc.pl [Institute of Experimental Physics, University of Wrocław, Plac M. Borna 9, PL-50-204 Wrocław (Poland); Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, Pawińskiego 5a, PL-02-106 Warsaw (Poland)

2016-06-15

Highlights: • Si on C-terminated and C on Si-terminated surface adsorb in the H{sub 3} hollow site. • The preferred adsorption site is in contrary to the stacking order of bulk crystal. • The presence of hydrogen increases the adsorption energy of Si/C. • Hydrogen weakens the bonds between the adsorbed Si or C and the surface. • Carbon adsorbs on top of the surface carbon on the C-terminated surface. • With both C and H on Si-terminated surface the surface state vanishes. - Abstract: Density functional theory (DFT) study of adsorption of 0.25 monolayer of either Si or C on 4H-SiC{0001} surfaces is presented. The adsorption in high-symmetry sites on both Si- and C-terminated surfaces was examined and the influence of the preadsorbed 0.25 ML of hydrogen on the Si/C adsorption was considered. It was found out that for Si on C-terminated surface and C on Si-terminated the most favourable is threefolded adsorption site on both clean and H-precovered surface. This is contrary to the bulk crystal stacking order which would require adsorption on top of the topmost surface atom. In those cases, the presence of hydrogen weakens the bonding of the adsorbate. Carbon on the C-terminated surface, only binds on-top of the surface atom. The C−C bond-length is almost the same for the clean surface and for one with H and equals to ∼1.33 Å which is shorter by ∼0.2 than in diamond. The analysis of the electronic structure changes under adsorption is also presented.

Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems

International Nuclear Information System (INIS)

Li, Jun; Zhang, Zhigang; Luo, Xiaorong; Li, Xiaochun

2015-01-01

Highlights: • A new model was established for the phase equilibria of C1–C2–C3–nC4–brine systems. • The model can reproduce of hydrocarbon–brine equilibria to high T&P and salinity. • The model can well predict H 2 O solubility in light hydrocarbon rich phases. - Abstract: A thermodynamic model is presented for the mutual solubility of CH 4 –C 2 H 6 –C 3 H 8 –nC 4 H 10 –brine systems up to high temperature, pressure and salinity. The Peng–Robinson model is used for non-aqueous phase fugacity calculations, and the Pitzer model is used for aqueous phase activity calculations. The model can accurately reproduce the experimental solubilities of CH 4 , C 2 H 6 , C 3 H 8 and nC 4 H 10 in water or NaCl solutions and H 2 O solubility in the non-aqueous phase. The experimental data of mutual solubility for the CH 4 –brine subsystem are sufficient for temperatures exceeding 250 °C, pressures exceeding 1000 bar and NaCl molalities greater than 6 molal. Compared to the CH 4 –brine system, the mutual solubility data of C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine are not sufficient. Based on the comparison with the experimental data of H 2 O solubility in C 2 H 6 -, C 3 H 8 - or nC 4 H 10 -rich phases, the model has an excellent capability for the prediction of H 2 O solubility in hydrocarbon-rich phases, as these experimental data were not used in the modelling. Predictions of hydrocarbon solubility (at temperatures up to 200 °C, pressures up to 1000 bar and NaCl molalities greater than 6 molal) were made for the C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine systems. The predictions suggest that increasing pressure generally increases the hydrocarbon solubility in water or brine, especially in the lower-pressure region. Increasing temperature usually decreases the hydrocarbon solubility at lower temperatures but increases the hydrocarbon solubility at higher temperatures. Increasing water salinity dramatically decreases

Black Cr/α-Cr2O3 nanoparticles based solar absorbers

International Nuclear Information System (INIS)

Khamlich, S.; Nemraoui, O.; Mongwaketsi, N.; McCrindle, R.; Cingo, N.; Maaza, M.

2012-01-01

Monodisperse spherical core–shell particles of Cr/α-Cr 2 O 3 with high adhesion were successfully coated on rough copper substrates by a simple self-assembly-like method for the use in solar thermal absorbers. The structure and morphology of the core-shell particles of Cr/α-Cr 2 O 3 were effectively controlled by deposition temperature and the pH of the initial precursor solution. Their characterizations were carried out with X-ray diffraction, scanning electron microscopy, energy dispersive spectrometry and attenuated total reflection, as well as UV–vis diffuse reflectance spectroscopy. The samples aged for more than 40 h at 75 °C exhibit the targeted high absorbing optical characteristic “Black chrome” while those aged for ≤40 h show a significant high UV–vis diffuse reflectance “green color”.

Estimation of absorbed dose in cell nuclei due to DNA-bound /sup 3/H

Energy Technology Data Exchange (ETDEWEB)

Saito, M; Ishida, M R; Streffer, C; Molls, M

1985-04-01

The average absorbed dose due to DNA-bound /sup 3/H in a cell nucleus was estimated by a Monte Carlo simulation for a model nucleus which was assumed to be spheroidal. The volume of the cell nucleus was the major dose-determining factor for cell nuclei which have the same DNA content and the same specific activity of DNA. This result was applied to estimating the accumulated dose in the cell nuclei of organs of young mice born from mother mice which ingested /sup 3/H-thymidine with drinking water during pregnancy. The values of dose-modifying factors for the accumulated dose due to DNA-bound /sup 3/H compared to the dose due to an assumed homogenous distribution of /sup 3/H in organ were found to be between about 2 and 6 for the various organs.

Iridium complexes containing mesoionic C donors: selective C(sp3)-H versus C(sp2)-H bond activation, reactivity towards acids and bases, and catalytic oxidation of silanes and water.

Science.gov (United States)

Petronilho, Ana; Woods, James A; Mueller-Bunz, Helge; Bernhard, Stefan; Albrecht, Martin

2014-11-24

Metalation of a C2-methylated pyridylimidazolium salt with [IrCp*Cl2]2 affords either an ylidic complex, resulting from C(sp(3))-H bond activation of the C2-bound CH3 group if the metalation is performed in the presence of a base, such as AgO2 or Na2CO3, or a mesoionic complex via cyclometalation and thermally induced heterocyclic C(sp(2))-H bond activation, if the reaction is performed in the absence of a base. Similar cyclometalation and complex formation via C(sp(2))-H bond activation is observed when the heterocyclic ligand precursor consists of the analogous pyridyltriazolium salt, that is, when the metal bonding at the C2 position is blocked by a nitrogen rather than a methyl substituent. Despite the strongly mesoionic character of both the imidazolylidene and the triazolylidene, the former reacts rapidly with D(+) and undergoes isotope exchange at the heterocyclic C5 position, whereas the triazolylidene ligand is stable and only undergoes H/D exchange under basic conditions, where the imidazolylidene is essentially unreactive. The high stability of the Ir-C bond in aqueous solution over a broad pH range was exploited in catalytic water oxidation and silane oxidation. The catalytic hydrosilylation of ketones proceeds with turnover frequencies as high as 6,000 h(-1) with both the imidazolylidene and the triazolylidene system, whereas water oxidation is enhanced by the stronger donor properties of the imidazol-4-ylidene ligands and is more than three times faster than with the triazolylidene analogue. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparison of the 1-gram [14C]xylose, 10-gram lactulose-H2, and 80-gram glucose-H2 breath tests in patients with small intestine bacterial overgrowth

International Nuclear Information System (INIS)

King, C.E.; Toskes, P.P.

1986-01-01

The sensitivity of three breath tests (1-g [ 14 C]xylose, 10-g lactulose-H 2 , and 80-g glucose-H 2 ) was studied in 20 subjects with culture-documented small intestine bacterial overgrowth. Elevated breath 14 CO2 levels were seen within 30 min of [ 14 C]xylose administration in 19 of 20 subjects with bacterial overgrowth and 0 of 10 controls. In contrast, H 2 breath tests demonstrated uninterpretable tests (absence of H 2 -generating bacteria) in 2 of 20 subjects with bacterial overgrowth and 1 of 10 controls and nondiagnostic increases in H 2 production in 3 of 18 glucose-H 2 and 7 of 18 lactulose-H 2 breath tests in subjects with bacterial overgrowth. These findings demonstrate continued excellent reliability of the 1-g [ 14 C]xylose breath test as a diagnostic test for bacterial overgrowth, indicate inadequate sensitivity of H 2 breath tests in detecting bacterial overgrowth, and suggest the need for evaluation of a 13 CO 2 breath test having the same characteristics as the [ 14 C]xylose test (avidly absorbed substrate having minimal contact with the colonic flora) for nonradioactive breath detection of bacterial overgrowth in children and reproductive-age women

Utilizing strongly absorbing materials for low-loss surface-wave nonlinear optics

Science.gov (United States)

Grosse, Nicolai B.; Franz, Philipp; Heckmann, Jan; Pufahl, Karsten; Woggon, Ulrike

2018-04-01

Optical media endowed with large nonlinear susceptibilities are highly prized for their employment in frequency conversion and the generation of nonclassical states of light. Although the presence of an optical resonance can greatly increase the nonlinear response (e.g., in epsilon-near-zero materials), the non-negligible increase in linear absorption often precludes the application of such materials in nonlinear optics. Absorbing materials prepared as thin films, however, can support a low-loss surface wave: the long-range surface exciton polariton (LRSEP). Its propagation lifetime increases with greater intrinsic absorption and reduced film thickness, provided that the film is embedded in a transparent medium (symmetric cladding). We explore LRSEP propagation in a molybdenum film by way of a prism-coupling configuration. Our observations show that excitation of the LRSEP mode leads to a dramatic increase in the yield of second-harmonic generation. This implies that the LRSEP mode is an effective vehicle for utilizing the nonlinear response of absorbing materials.

Preparation of Active Absorbent for Flue Gas Desulfurization From Coal Bottom Ash: Effect of Absorbent Preparation Variables

Directory of Open Access Journals (Sweden)

Chang Chin Li, Lee Keat Teong, Subhash Bhatia and Abdul Rahman Mohamed

2012-08-01

Full Text Available An active absorbent for flue gas desulfurization was prepared from coal bottom ash, calcium oxide (CaO and calcium sulfate by hydro-thermal process. The absorbent was examined for its micro-structural properties. The experiments conducted were based on Design Of Experiments (DOE according to 23 factorial design. The effect of various absorbent preparation variables such as ratio of CaO to bottom ash (A, hydration temperature (B and hydration period (C towards the BET (Brunauer-Emmett-Teller specific surface area of the absorbent were studied. At a CaO to bottom ash ratio = 2, hydration temperature = 200 ?C and hydration period = 10 hrs, absorbent with a surface area of 90.1 m2/g was obtained. Based on the analysis of the factorial design, it was concluded that factor A and C as well as the interaction of factors ABC and BC are the significant factors that effect the BET surface area of the absorbent. A linear mathematical model that describes the relation between the independent variables and interaction between variables towards the BET specific surface area of the absorbent was also developed. Analysis of variance (ANOVA showed that the model was significant at 1% level.Key Words: Absorbent, Bottom Ash, Design Of Experiments, Desulfurization, Surface Area.

Electrooxidative Rhodium-Catalyzed C-H/C-H Activation: Electricity as Oxidant for Cross-Dehydrogenative Alkenylation.

Science.gov (United States)

Qiu, Youai; Kong, Wei-Jun; Struwe, Julia; Sauermann, Nicolas; Rogge, Torben; Scheremetjew, Alexej; Ackermann, Lutz

2018-04-06

Rhodium(III) catalysis has enabled a plethora of oxidative C-H functionalizations, which predominantly employ stoichiometric amounts of toxic and/or expensive metal oxidants. In contrast, we describe the first electrochemical C-H activation by rhodium catalysis that avoids hazardous chemical oxidants. Thus, environmentally-benign twofold C-H/C-H functionalizations were accomplished with weakly-coordinating benzoic acids and benzamides, employing electricity as the terminal oxidant with H2 as the sole byproduct. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solution and solid-phase halogen and C-H hydrogen bonding to perrhenate.

Science.gov (United States)

Massena, Casey J; Riel, Asia Marie S; Neuhaus, George F; Decato, Daniel A; Berryman, Orion B

2015-01-28

(1)H NMR spectroscopic and X-ray crystallographic investigations of a 1,3-bis(4-ethynyl-3-iodopyridinium)benzene scaffold with perrhenate reveal strong halogen bonding in solution, and bidentate association in the solid state. A nearly isostructural host molecule demonstrates significant C-H hydrogen bonding to perrhenate in the same phases.

Radioactive levels and doses of 3H and 14C in white spirits

International Nuclear Information System (INIS)

Deng, G.

1992-01-01

'Full Text:' White (and yeast) spirits is a general name for strong alcoholic beverages in China. The paper reports levels and doses of 3 H and 14 C in 65 spirits samples between 1986 and 1987. Experiments were made by measuring end analyzing each sample, using a low background liquid scintillation spectrometer. Radioactive levels of 65 spirits samples are as follows: Variant range of 3 H activity is 98.2 - 170.6Bq.dm -3 and its average is 149.2 ± 17.3Bq.dm -3 ; Variant range of 14 C activity is 38.8-80.2Bq.dm -3 and its average is 57.4±8.2Bq.dm -3 . If the man drinks 200cm 3 of spirits daily, the annual dose equivalents will be 0.19uSv of 3 H and 2.5uSv of 14 C . In ordinary strong alcoholic beverages that contain 57-60% alcohol, the mean 3 H and 14 C activities are 153.8Bq.dm -3 and 60.3Bq.dm -3 , respectively, but in spirits of lower alcoholic content (38-40%), the mean 3H activity is 114.6Bq.dm -3 , that is 25.5% less than ordinary spirits, and the mean 14 C activity is 46.1Bq.dm -3 , that is 23.5% less than ordinary spirits. We compared the 3 H and 14 C contents of five kinds of staple grains from both Sichuan and Guangdong provinces. We learned that the level of activity in spirits is ten times higher than in grains and water, and the level of 14 C activity in spirits is equivalent to that in grains. White spirits has fully concentrated 3 H and 14 C from both grain and water, and activities increase with increasing alcoholic content. 3 H in spirits probably is averaged from both water and grain, and 14 C is averaged mostly from grain. (author)

Synthesis and optical characterization of C-SiO2 and C-NiO sol-gel composite films for use as selective solar absorbers

CSIR Research Space (South Africa)

Makiwa, G

2008-08-01

Full Text Available The authors present a cheaper and environmentally friendly method to fabricate efficient spectrally selective solar absorber materials. The sol-gel technique was used to fabricate carbon-silica (C-SiO2) and carbon-nickel oxide (C-NiO) composite...

Charge transfer processes in collisions of H+ ions with H2, D2, CO, CO2 CH4, C2H2, C2H6 and C3H8 molecules below 10 keV

International Nuclear Information System (INIS)

Kusakabe, T.; Buenker, R.J.; Kimura, M.

2002-01-01

Charge transfer processes resulting from collisions of H + ions with H 2 , D 2 , CO, CO 2 CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 molecules have been investigated in the energy range of 0.2 to 4.0 keV experimentally and theoretically. The initial growth rate method was employed in the experiment for studying the dynamics and cross sections. Theoretical analysis based on a molecular-orbital expansion method for H 2 , D 2 , CO, CH 4 and C 2 H 2 targets was also carried out. The present results for the H 2 , CO and CO 2 molecules by H + impact are found to be in excellent accord with most of previous measurements above 1 keV, but they show some differences below this energy where our result displays a stronger energy-dependence. For CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 targets, both experimental and theoretical results indicate that if one assumes vibrationally excited molecular ions (CH 4 + , C 2 H 2 + , C 2 H 6 + and C 3 H 8 + ) formed in the exit channel, then charge transfer processes sometimes become more favorable since these vibrationally excited fragments meet an accidental resonant condition. This is a clear indication of the role of vibrational excited states for charge transfer, and is an important realization for general understanding. (author)

Fluorography--limitations on its use for the quantitative detection of 3H- and 14-C-labeled proteins in polyacrylamide gels

International Nuclear Information System (INIS)

Harding, C.R.; Scott, I.R.

1983-01-01

The suitability of fluorography for the detection of 3 H- and 14 C-labeled proteins on polyacrylamide gradient gels has been investigated. If was found that the absorbance of the fluorographic film image produced by a given level of radioactivity decreased as the acrylamide concentration in the gel increased. The use of Coomassie brilliant blue protein dyes to stain the gel prior to fluorography reduced the absorbance of the fluorographic image. It is concluded that quantitative fluorography can only be applied to unstained gels of a uniform acrylamide concentration

Development of optical tools for the characterization of selective solar absorber at elevated temperature

Science.gov (United States)

Giraud, Philemon; Braillon, Julien; Delord, Christine; Raccurt, Olivier

2016-05-01

Durability of solar components for CSP (Concentrated Solar Power Plant) technologies is a key point to lower cost and ensure their large deployment. These technologies concentrated the solar radiation by means of mirrors on a receiver tube where it is collected as thermal energy. The absorbers are submitted to strong environmental constraints and the degradation of their optical properties (emittance and solar absorbance) have a direct impact on performance. The objective is to develop new optical equipment for characterization of this solar absorber in condition of use that is to say in air and at elevated temperature. In this paper we present two new optical test benches developed for optical characterization of solar absorbers in condition of use up to 800°C. The first equipment is an integrated sphere with heated sample holder which measures the hemispherical reflectance between 280 and 2500 nm to calculate the solar absorbance at high temperature. The second optical test bench measures the emittance of samples up to 1000°C in the range of 1.25 to 28.57 µm. Results of high temperature measurements on a series of metallic absorbers with selective coating and refractory material for high thermal receiver are presented.

Self-shielding and burn-out effects in the irradiation of strongly-neutron-absorbing material

International Nuclear Information System (INIS)

Sekine, T.; Baba, H.

1978-01-01

Self-shielding and burn-out effects are discussed in the evaluation of radioisotopes formed by neutron irradiation of a strongly-neutron-absorbing material. A method of the evaluation of such effects is developed both for thermal and epithermal neutrons. Gadolinium oxide uniformly mixed with graphite powder was irradiated by reactor-neutrons together with pieces of a Co-Al alloy wire (the content of Co being 0.475%) as the neutron flux monitor. The configuration of the samples and flux monitors in each of two irradiations is illustrated. The yields of activities produced in the irradiated samples were determined by the γ-spectrometry with a Ge(Li) detector of a relative detection efficiency of 8%. Activities at the end of irradiation were estimated by corrections due to pile-up, self-absorption, detection efficiency, branching ratio, and decay of the activity. Results of the calculation are discussed in comparison with the observed yields of 153 Gd, 160 Tb, and 161 Tb for the case of neutron irradiation of disc-shaped targets of gadolinium oxide. (T.G.)

Ku-band electromagnetic wave absorbing properties of polysiloxane derived Si-O-C bulk ceramics

Science.gov (United States)

Ding, Donghai; Li, Zipei; Xiao, Guoqing; Yang, Shaoyu

2018-02-01

The bulk Si-O-C ceramics were prepared by polymer derived ceramics (PDCs) route using polysiloxane as precursor and their properties were investigated for electromagnetic wave absorbing in the frequency range of 12.4-18 GHz (Ku-band). It was found that the catalytic pyrolysis can enhance substantially the absorbing properties by in situ formation of turbostratic carbon network, ordered carbon, and multi-wall carbon nanotubes. The matching thickness of sample containing 1.5 wt% FeCl3 (FPSO-1.5) is 2.2 mm, and its reflection loss exceeds -10 dB in the whole Ku-band with an absorption peak of -35.48 dB at 14.16 GHz. For sample containing 1.5 wt% FeCl3, its absorption peak increases to -15.78 dB, but its matching thickness decreases significantly to 2.2 mm. The polymer derived Si-O-C ceramics could be used as excellent electromagnetic functional devices working in harsh environments.

The singlet-triplet energy gap in divalent three, five and seven-membered cyclic C2H2M, C4H4M and C6H6M (M = C, Si, Ge, Sn AND Pb

Directory of Open Access Journals (Sweden)

E. Vessally

2009-08-01

Full Text Available Total energy gaps, ∆Et–s, enthalpy gaps, ∆Ht–s, and Gibbs free energy gaps, ∆Gt–s, between singlet (s and triplet (t states were calculated for three, five and seven-membered cyclic C2H2M, C4H4M and C6H6M (M = C, Si, Ge, Sn and Pb at B3LYP/6-311++G**. The singlet-triplet free energy gaps, ∆Gt–s, for C2H2M (M = C, Si, Ge, Sn and Pb are found to be increased in the order: C2H2Si > C2H2C > C2H2Ge > C2H2Sn > C2H2Pb. The ∆Gt–s of C4H4M are found to be increased in the order: C4H4Pb > C4H4Sn > C4H4Ge > C4H4Si > C4H4C. Also, the ∆Gt–s of C6H6M are determined in the order: C6H6Pb > C6H6Ge ≥ C6H6Sn > C6H6Si > C6H6C. The most stable conformers of C2H2M, C4H4M and C6H6M are proposed for both the singlet and triplet states. Nuclear independent chemical shifts (NICS calculations were carried out for determination of aromatic character. The geometrical parameters are calculated and discussed.

First-principles investigation of neutron-irradiation-induced point defects in B4C, a neutron absorber for sodium-cooled fast nuclear reactors

Science.gov (United States)

You, Yan; Yoshida, Katsumi; Yano, Toyohiko

2018-05-01

Boron carbide (B4C) is a leading candidate neutron absorber material for sodium-cooled fast nuclear reactors owing to its excellent neutron-capture capability. The formation and migration energies of the neutron-irradiation-induced defects, including vacancies, neutron-capture reaction products, and knocked-out atoms were studied by density functional theory calculations. The vacancy-type defects tend to migrate to the C–B–C chains of B4C, which indicates that the icosahedral cage structures of B4C have strong resistance to neutron irradiation. We found that lithium and helium atoms had significantly lower migration barriers along the rhombohedral (111) plane of B4C than perpendicular to this plane. This implies that the helium and lithium interstitials tended to follow a two-dimensional diffusion regime in B4C at low temperatures which explains the formation of flat disk like helium bubbles experimentally observed in B4C pellets after neutron irradiation. The knocked-out atoms are considered to be annihilated by the recombination of the close pairs of self-interstitials and vacancies.

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

International Nuclear Information System (INIS)

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

2002-01-01

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

Substrate-Mediated C-C and C-H Coupling after Dehalogenation.

Science.gov (United States)

Kong, Huihui; Yang, Sha; Gao, Hongying; Timmer, Alexander; Hill, Jonathan P; Díaz Arado, Oscar; Mönig, Harry; Huang, Xinyan; Tang, Qin; Ji, Qingmin; Liu, Wei; Fuchs, Harald

2017-03-15

Intermolecular C-C coupling after cleavage of C-X (mostly, X = Br or I) bonds has been extensively studied for facilitating the synthesis of polymeric nanostructures. However, the accidental appearance of C-H coupling at the terminal carbon atoms would limit the successive extension of covalent polymers. To our knowledge, the selective C-H coupling after dehalogenation has not so far been reported, which may illuminate another interesting field of chemical synthesis on surfaces besides in situ fabrication of polymers, i.e., synthesis of novel organic molecules. By combining STM imaging, XPS analysis, and DFT calculations, we have achieved predominant C-C coupling on Au(111) and more interestingly selective C-H coupling on Ag(111), which in turn leads to selective synthesis of polymeric chains or new organic molecules.

Oxidative addition of C--H bonds in organic molecules to transition metal centers

International Nuclear Information System (INIS)

Bergman, R.G.

1989-04-01

Alkanes are among the most chemically inert organic molecules. They are reactive toward a limited range of reagents, such as highly energetic free radicals and strongly electrophilic and oxidizing species. This low reactivity is a consequence of the C--H bond energies in most saturated hydrocarbons. These values range from 90 to 98 kcal/mole for primary and secondary C--H bonds; in methane, the main constituent of natural gas, the C--H bond energy is 104 kcal/mole. This makes methane one of the most common but least reactive organic molecules in nature. This report briefly discusses the search for metal complexes capable of undergoing the C--H oxidative addition process allowing alkane chemistry to be more selective than that available using free radical reagents. 14 refs

Monte Carlo simulation of reflection spectra of random multilayer media strongly scattering and absorbing light

International Nuclear Information System (INIS)

Meglinskii, I V

2001-01-01

The reflection spectra of a multilayer random medium - the human skin - strongly scattering and absorbing light are numerically simulated. The propagation of light in the medium and the absorption spectra are simulated by the stochastic Monte Carlo method, which combines schemes for calculations of real photon trajectories and the statistical weight method. The model takes into account the inhomogeneous spatial distribution of blood vessels, water, and melanin, the degree of blood oxygenation, and the hematocrit index. The attenuation of the incident radiation caused by reflection and refraction at Fresnel boundaries of layers inside the medium is also considered. The simulated reflection spectra are compared with the experimental reflection spectra of the human skin. It is shown that a set of parameters that was used to describe the optical properties of skin layers and their possible variations, despite being far from complete, is nevertheless sufficient for the simulation of the reflection spectra of the human skin and their quantitative analysis. (laser applications and other topics in quantum electronics)

MODERATE C IV ABSORBER SYSTEMS REQUIRE 10{sup 12} M{sub Sun} DARK MATTER HALOS AT z {approx} 2.3: A CROSS-CORRELATION STUDY OF C IV ABSORBER SYSTEMS AND QUASARS IN SDSS-III BOSS DR9

Energy Technology Data Exchange (ETDEWEB)

Vikas, Shailendra; Wood-Vasey, W. Michael [Pittsburgh Particle Physics, Astrophysics, and Cosmology Center (PITT PACC), Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, PA 15260 (United States); Lundgren, Britt [Department of Physics, Yale University, New Haven, CT 06511 (United States); Ross, Nicholas P. [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 92420 (United States); Myers, Adam D. [Department of Physics and Astronomy, University of Wyoming, Laramie, WY 82071 (United States); AlSayyad, Yusra [Department of Astronomy, University of Washington, Seattle, WA 98195 (United States); York, Donald G. [Department of Astronomy, University of Chicago, 5640 S. Ellis Ave, Chicago, IL 60637 (United States); Schneider, Donald P. [Department of Astronomy and Astrophysics, Pennsylvania State University, University Park, PA 16802 (United States); Brinkmann, J.; Bizyaev, Dmitry; Brewington, Howard; Malanushenko, Elena; Malanushenko, Viktor; Oravetz, Daniel; Pan, Kaike; Snedden, Stephanie [Apache Point Observatory, P.O. Box 59, Sunspot, NM 88349-0059 (United States); Ge, Jian [Department of Astronomy, University of Florida, Gainesville, FL 32611 (United States); Muna, Demitri [Center for Cosmology and Particle Physics, New York University, New York, NY 10003 (United States); Paris, Isabelle; Petitjean, Patrick, E-mail: skv4@pitt.edu [UPMC-CNRS, UMR7095, Institut d' Astrophysique de Paris, F-75014 Paris (France); and others

2013-05-01

We measure the two-point cross-correlation function of C IV absorber systems and quasars, using spectroscopic data from the Sloan Digital Sky Survey III Baryon Oscillation Spectroscopic Survey (BOSS; Data Release 9). The 19,701 quasars and 6149 C IV ''moderate'' absorbers, 0.28 A < rest-frame equivalent width (EW) < 5 A, in our study cover a redshift range of 2.1 < z < 2.5 over 3300 deg{sup 2} and represent a factor of two increase in sample size over previous investigations. We find a correlation scale length and slope of the redshift-space cross-correlation function of s{sub 0} = 8.46 {+-} 1.24 Mpc, {gamma} = 1.68 {+-} 0.19, in the redshift-space range 10 < s < 100 Mpc. We find a projected cross-correlation function of C IV absorption systems and quasars of r{sub 0} = 7.76 {+-} 2.80 Mpc, {gamma} = 1.74 {+-} 0.21. We measure the combined quasar and C IV bias to be b{sub QSO} b{sub C{sub IV}} = 8.81 {+-} 2.28. Using an estimate of b{sub QSO} from the quasar auto-correlation function we find b{sub CIV} = 2.38 {+-} 0.62. This b{sub CIV} implies that EW > 0.28 A C IV absorbers at z {approx} 2.3 are typically found in dark matter halos that have masses {>=}10{sup 11.3}-10{sup 13.4} M{sub Sun} at that redshift. The complete BOSS sample will triple the number of both quasars and absorption systems and increase the power of this cross-correlation measurement by a factor of two.

Gold electrodes modified with 16H, 18H-dibenzo[c,l]-7,9-dithia-16,18-diazapentacene for electrocatalytic oxidation of NADH

NARCIS (Netherlands)

Rosca, V.; Muresan, L.; Popescu, I.C.; Cristea, C.; Silberg, I.A.

2001-01-01

16H,18H-Dibenzo[c,l]-7,9-dithia-16,18-diazapentacene (DDDP), a new phenothiazine derivative containing two linearly condensed phenothiazine rings, strongly adsorbs on polyoriented gold resulting in a modified electrode with electrocatalytic activity for ß-nicotinamide adenine dinucleotide (NADH)

Absorbent material for type a radioactive materials packaging containing liquids

International Nuclear Information System (INIS)

Saunders, G.A.

1989-11-01

The application of absorbent materials to the packaging and transport of liquid radioactive materials in Type A packages has not been reported in the literature. However, a significant body of research exists on absorbent materials for personal hygiene products such as diapers. Absorption capacity is dependent on both the absorbent material and the liquid being absorbed. Theoretical principles for capillary absorption in both the horizontal and the vertical plane indicate that small contact angle between the absorbent fibre and the liquid, and a small inter-fibre pore size are important. Some fluid parameters such as viscosity affect the rate of absorption but not the final absorption capacity. There appears to be little comparability between results obtained for the same absorbent and fluid using different test procedures. Test samples of materials from several classes of potential absorbents have been evaluated in this study, and shown to have a wide range of absorbent capacities. Foams, natural fibres, artificial fibres and granular materials are all potentially useful absorbents, with capacities ranging from as little as 0.86 to as much as 40.6 grams of distilled water per gram of absorbent. Two experimental procedures for evaluating the absorbent capacity of these materials have been detailed in this report, and found suitable for evaluating granular, fibrous or foam materials. Compression of the absorbent material reduces its capacity, but parameters such as relative humidity, pH, temperature, and viscosity appear to have little significant influence on capacity. When the materials were loaded to 50% of their one-minute absorbency, subsequent loss of the absorbed liquid was generally minimal. All of the absorbent materials rapidly lost their absorbed water through evaporation within twenty-four hours in still air at 21 degrees C and 50% relative humidity

Experimental studies of collisions of excited Li(4p) atoms with C2H4, C2H6, C3H8 and theoretical interpretation of the Li-C2H4 system

International Nuclear Information System (INIS)

Semmineh, Natenael; Bililign, Solomon; Hagebaum-Reignier, Denis; Jeung, Gwang-Hi

2009-01-01

Collisions of excited Li(4p) states with C 2 H 4 , C 2 H 6 and C 3 H 8 are studied experimentally using far-wing scattering state spectroscopy techniques. High-level ab initio quantum mechanical studies of the Li-C 2 H 4 system are conducted to explain the results of the experiment for this system. The recent and present works indicate that knowledge of the internal structure of the perturber (C 2 H 4 , C 2 H 6 and C 3 H 8 ) is essential to fully understand the interaction between the metal and the hydrocarbon molecules. The ab initio calculation shows that the Li(4d) (with little probability under the experimental conditions) and the Li(4p) can be formed directly through the laser pumping. It also shows that the Li(4s) and Li(3d) states can be formed through an electronic diabatic coupling involving a radiationless process. However, the Li(3p), Li(3s) and Li(2p) states can only be formed through a secondary diabatic coupling which is a much less probable process than the primary one. The calculation limited to two C 2v sections of the potential energy surfaces (PESs) shows peculiar multi-state crossings that we have never seen in other lithium complexes we studied

Ultrafine Nanocrystalline CeO2@C-Containing NaAlH4 with Fast Kinetics and Good Reversibility for Hydrogen Storage.

Science.gov (United States)

Zhang, Xin; Liu, Yongfeng; Wang, Ke; Li, You; Gao, Mingxia; Pan, Hongge

2015-12-21

A nanocrystalline CeO2@C-containing NaAlH4 composite is successfully synthesized in situ by hydrogenating a NaH-Al mixture doped with CeO2@C. Compared with NaAlH4 , the as-prepared CeO2@C-containing NaAlH4 composite, with a minor amount of excess Al, exhibits significantly improved hydrogen storage properties. The dehydrogenation onset temperature of the hydrogenated [NaH-Al-7 wt % CeO2@C]-0.04Al sample is 77 °C lower than that of the pristine sample because of a reduced kinetic barrier. More importantly, the dehydrogenated sample absorbs ∼4.7 wt % hydrogen within 35 min at 100°C and 10 MPa of hydrogen. Compositional and structural analyses reveal that CeO2 is converted to CeH2 during ball milling and that the newly formed CeH2 works with the excess of Al to synergistically improve the hydrogen storage properties of NaAlH4. Our findings will aid in the rational design of novel catalyst-doped complex hydride systems with low operating temperatures, fast kinetics, and long-term cyclability. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fragmentation of C2H4 by charge-changing collisions of O2+ ions

International Nuclear Information System (INIS)

Sato, S.; Mizuno, T.; Yamada, T.; Imai, M.; Shibata, H.; Itoh, A.; Tsuchida, H.

2009-01-01

We investigated molecular fragmentation of C 2 H 4 in charge-changing collisions of 1.14MeV O 2+ ions. Branching ratios associated with decaying from temporary produced (C 2 H 4 ) r+ ions into various fragment channels were obtained. Dissociation via a C-C bond breaking is preferential in 1-electron loss collisions in comparison with 1-electron capture collisions. We confirmed that multiple ionization and dissociation rarely occur in electron capture collisions, while they occur rather strongly in electron loss collisions. (author)

Carbon dioxide utilization via carbonate-promoted C-H carboxylation.

Science.gov (United States)

Banerjee, Aanindeeta; Dick, Graham R; Yoshino, Tatsuhiko; Kanan, Matthew W

2016-03-10

Using carbon dioxide (CO2) as a feedstock for commodity synthesis is an attractive means of reducing greenhouse gas emissions and a possible stepping-stone towards renewable synthetic fuels. A major impediment to synthesizing compounds from CO2 is the difficulty of forming carbon-carbon (C-C) bonds efficiently: although CO2 reacts readily with carbon-centred nucleophiles, generating these intermediates requires high-energy reagents (such as highly reducing metals or strong organic bases), carbon-heteroatom bonds or relatively acidic carbon-hydrogen (C-H) bonds. These requirements negate the environmental benefit of using CO2 as a substrate and limit the chemistry to low-volume targets. Here we show that intermediate-temperature (200 to 350 degrees Celsius) molten salts containing caesium or potassium cations enable carbonate ions (CO3(2-)) to deprotonate very weakly acidic C-H bonds (pKa > 40), generating carbon-centred nucleophiles that react with CO2 to form carboxylates. To illustrate a potential application, we use C-H carboxylation followed by protonation to convert 2-furoic acid into furan-2,5-dicarboxylic acid (FDCA)--a highly desirable bio-based feedstock with numerous applications, including the synthesis of polyethylene furandicarboxylate (PEF), which is a potential large-scale substitute for petroleum-derived polyethylene terephthalate (PET). Since 2-furoic acid can readily be made from lignocellulose, CO3(2-)-promoted C-H carboxylation thus reveals a way to transform inedible biomass and CO2 into a valuable feedstock chemical. Our results provide a new strategy for using CO2 in the synthesis of multi-carbon compounds.

Tritium Labeled Gentamicin C: II.- Bioradiactive Degradation Products of Gentamicin by Catalytic H2O-3H Exchange Reaction; Getamicina C Tritiada: II.- Productos de Degradacion Radiactivos y Bioactivos en el Intercambio Catalitico con H2O-3H

Energy Technology Data Exchange (ETDEWEB)

Suarez, C; Diaz, A; Paz, D; Jimeno, M L

1992-07-01

The main bio radioactive degradation products from catalytic hydrogen exchange of gentamicin C, (C1 + C2 + Cla) in basic form, are generated by N-demethylation in 3{sup -}N and 6-N positions. Their structures were confirmed by 1HNMR and 13CNMR. These derivatives were fractionated by chromatography on silica gel. Antibacterial activities were similar to those of the parent antibiotics. Tritium exchange, under vacuum or nitrogen, is highly increased (4:1) when gentamicin are in basic form. In contrast with gentamicin sulfate, hydrolytic sub products as gramine, genta mines, garosamine and purpurosamines are practically absent. To properly optimize the exchange process, the composition of the gentamicin C complex must be taken into account. The exchange decreases in the order C2 > C1> Cla. Because of 6'-N-demethyl gentamicin C1 is C2, the radiochemical yield of C2 appears enhanced in the H2O-3H exchange of a mixture of them. Radioactivity distribution among the components and subunits of these three gentamicin were studied by strong and mild hydrolysis, and by methanolysis. (Author) 18 refs.

A HIGH RESOLUTION VIEW OF THE WARM ABSORBER IN THE QUASAR MR 2251-178

Energy Technology Data Exchange (ETDEWEB)

Reeves, J. N.; Gofford, J.; Nardini, E. [Astrophysics Group, School of Physical and Geographical Sciences, Keele University, Keele, Staffordshire, ST5 5BG (United Kingdom); Porquet, D. [Observatoire Astronomique de Strasbourg, Université de Strasbourg, CNRS, UMR 7550, 11 rue de l' Université, F-67000 Strasbourg (France); Braito, V. [INAF - Osservatorio Astronomico di Brera, Via Bianchi 46 I-23807 Merate (Italy); Turner, T. J. [Center for Space Science and Technology, University of Maryland Baltimore County, 1000 Hilltop Circle, Baltimore, MD 21250 (United States); Crenshaw, D. M. [Department of Physics and Astronomy, Georgia State University, Astronomy Offices, One Park Place South SE, Suite 700, Atlanta, GA 30303 (United States); Kraemer, S. B., E-mail: j.n.reeves@keele.ac.uk [Institute for Astrophysics and Computational Sciences, Department of Physics, The Catholic University of America, Washington, DC 20064 (United States)

2013-10-20

High resolution X-ray spectroscopy of the warm absorber in a nearby quasar, MR 2251-178 (z = 0.06398), is presented. The observations were carried out in 2011 using the Chandra High Energy Transmission Grating (HETG) and the XMM-Newton Reflection Grating Spectrometer, with net exposure times of approximately 400 ks each. A multitude of absorption lines from C to Fe are detected, revealing at least three warm absorbing components ranging in ionization parameter from log (ξ/erg cm s{sup –1}) = 1-3 with outflow velocities ∼< 500 km s{sup –1}. The lowest ionization absorber appears to vary between the Chandra and XMM-Newton observations, which implies a radial distance of between 9 and 17 pc from the black hole. Several broad soft X-ray emission lines are strongly detected, most notably from He-like oxygen, with FWHM velocity widths of up to 10,000 km s{sup –1}, consistent with an origin from broad-line region (BLR) clouds. In addition to the warm absorber, gas partially covering the line of sight to the quasar appears to be present, with a typical column density of N{sub H} = 10{sup 23} cm{sup –2}. We suggest that the partial covering absorber may arise from the same BLR clouds responsible for the broad soft X-ray emission lines. Finally, the presence of a highly ionized outflow in the iron K band from both the 2002 and 2011 Chandra HETG observations appears to be confirmed, which has an outflow velocity of –15600 ± 2400 km s{sup –1}. However, a partial covering origin for the iron K absorption cannot be excluded, resulting from low ionization material with little or no outflow velocity.

Interfacial engineering of solution-processed Ni nanochain-SiO{sub x} (x < 2) cermets towards thermodynamically stable, anti-oxidation solar selective absorbers

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiaobai; Wang, Xiaoxin; Liu, Jifeng, E-mail: Jifeng.Liu@dartmouth.edu [Thayer School of Engineering, Dartmouth College, 14 Engineering Drive, Hanover, New Hampshire 03755 (United States); Zhang, Qinglin [Department of Chemical and Materials Engineering, University of Kentucky, 177 F. Paul Anderson Tower, Lexington, Kentucky 40506 (United States)

2016-04-07

interfacial changes due to the localized surface plasmon resonances of the metal nanostructures. This phenomenon holds true for Ni nanoparticle diameter down to 40 nm in Ni-SiO{sub x} system, where the optical response remains stable for 53 h at 550 °C in air. The oxidation vs. time curve also shows saturation behavior deviating from the kinetic Deal-Grove oxidation model. These results strongly suggest a promising approach to thermodynamically stable, anti-oxidation Ni/SiO{sub x} cermet absorbers via interfacial engineering.

Optical properties and thermal stability of TiAlN/AlON tandem absorber prepared by reactive DC/RF magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Barshilia, Harish C.; Selvakumar, N.; Rajam, K.S. [Surface Engineering Division, National Aerospace Laboratories, Bangalore 560 017 (India); Biswas, A. [Spectroscopy Division, Bhabha Atomic Research Center, Mumbai 400 085 (India)

2008-11-15

Spectrally selective TiAlN/AlON tandem absorbers were deposited on copper and stainless steel substrates using a reactive DC/RF magnetron sputtering system. The compositions and thicknesses of the individual component layers were optimized to achieve high absorptance ({alpha}=0.931-0.942) and low emittance ({epsilon}=0.05-0.06) on copper substrate. The experimental spectroscopic ellipsometric data have been fitted with the theoretical models to derive the dispersion of the optical constants (n and k). In order to study the thermal stability of the tandem absorbers, they were subjected to heat treatment (in air and vacuum) for different durations and temperatures. The tandem absorber deposited on Cu substrates exhibited high solar selectivity ({alpha}/{epsilon}) of 0.946/0.07 even after heat treatment in air up to 600 C for 2 h. At 625 C, the solar selectivity decreased significantly on Cu substrates (e.g., {alpha}/{epsilon}=0.924/0.30). The tandem absorber on Cu substrates was also stable in air up to 100 h at 400 C with a solar selectivity of 0.919/0.06. Studies on the accelerated aging tests indicated that the activation energy for the degradation of the tandem absorber is of the order of 100 kJ/mol. (author)

Polymeric thermal analysis of C + H and C + H + Ar ion implanted UHMWPE samples

International Nuclear Information System (INIS)

Kaya, N.; Oztarhan, Ahmet M.; Urkac, E.S.; Ila, D.; Budak, S.; Oks, E.; Nikolaev, A.; Ezdesir, A.; Tihminlioglu, F.; Tek, Z.; Cetiner, S.; Muntele, C.

2007-01-01

Chemical surface characterization of C + H hybrid ion implanted UHMWPE samples were carried out using DSC (differential scanning calorimeter) and TGA (thermal gravimetric analysis) techniques. Samples were implanted with a fluence of 10 17 ion/cm 2 and an extraction voltage of 30 kV. The study of TGA and DSC curves showed that: (1) Polymeric decomposition temperature increased (2) T m , ΔC p and ΔH m values changed while ΔC p and ΔH m increased. T g value could not be measured, because of some experimental limitations. However, the increase in ΔH m values showed that T g values increased (3) the branch density which indicated the increase in number of cross-link (M c ) decreased in ion implanted samples and (4) increase in ΔH m values indicated increase in crystallinity of implanted surface of UHMWPE samples

Computational Study of Pincer Iridium Catalytic Systems: C-H, N-H, and C-C Bond Activation and C-C Coupling Reactions

Science.gov (United States)

Zhou, Tian

Computational chemistry has achieved vast progress in the last decades in the field, which was considered to be only experimental before. DFT (density functional theory) calculations have been proven to be able to be applied to large systems, while maintaining high accuracy. One of the most important achievements of DFT calculations is in exploring the mechanism of bond activation reactions catalyzed by organometallic complexes. In this dissertation, we discuss DFT studies of several catalytic systems explored in the lab of Professor Alan S. Goldman. Headlines in the work are: (1) (R4PCP)Ir alkane dehydrogenation catalysts are highly selective and different from ( R4POCOP)Ir catalysts, predicting different rate-/selectivity-determining steps; (2) The study of the mechanism for double C-H addition/cyclometalation of phenanthrene or biphenyl by (tBu4PCP)Ir(I) and ( iPr4PCP)Ir illustrates that neutral Ir(III) C-H addition products can undergo a very facile second C-H addition, particularly in the case of sterically less-crowded Ir(I) complexes; (3) (iPr4PCP)Ir pure solid phase catalyst is highly effective in producing high yields of alpha-olefin products, since the activation enthalpy for dehydrogenation is higher than that for isomerization via an allyl pathway; higher temperatures favor the dehydrogenation/isomerization ratio; (4) (PCP)Ir(H)2(N2H4) complex follows a hydrogen transfer mechanism to undergo both dehydrogenation to form N 2 and H2, as well as hydrogen transfer followed by N-N bond cleavage to form NH3, N2, and H2; (5) The key for the catalytic effect of solvent molecule in CO insertion reaction for RMn(CO)5 is hydrogen bond assisted interaction. The basicity of the solvent determines the strength of the hydrogen bond interaction during the catalytic path and determines the catalytic power of the solvent; and (6) Dehydrogenative coupling of unactivated C-H bonds (intermolecular vinyl-vinyl, intramolecular vinyl-benzyl) is catalyzed by precursors of the

pH dependent green synthesis of gold nanoparticles by completely C6-carboxylated curdlan under high temperature and various pH conditions.

Science.gov (United States)

Qiu, Wen-Yi; Wang, Kai; Wang, Yao-Yao; Ding, Zhi-Chao; Wu, Li-Xia; Cai, Wu-Dan; Yan, Jing-Kun

2018-01-01

A C6-carboxylated curdlan (C6-Cc) obtained from 4-acetamido-TEMPO-mediated oxidation of curdlan was used both as a reducing and stabilizing agent for green synthesis of pH-responsive AuNPs, which was carried out by controlling the pH of the C6-Cc solution at a high temperature (100°C). C6-Cc presented a semi-flexible random coil chain in the aqueous medium at pH 5.5 and became more expanded and rigid in alkaline conditions (pH 7.1-12.0), though the primary chemical structure of C6-Cc was virtually unchanged with the pH variation. The AuNPs prepared with C6-Cc at various pHs were characterized by various instrumental measurements. The shapes and sizes of AuNPs were found to be strongly dependent on the pH of the C6-Cc solution. The C6-Cc-decorated AuNPs exhibited a more well-dispersed spherical morphology with smaller particle sizes under alkaline conditions (pH 7.1-12.0). Through this study, a facile, simple, and green method has been demonstrated for preparation of stimuli-sensitive AuNPs using biocompatible polyanionic polysaccharides. Copyright © 2017 Elsevier B.V. All rights reserved.

Experimental and Theoretical Studies of the Factors Affecting the Cycloplatination of the Chiral Ferrocenylaldimine (SC-[(η5-C5H5Fe{(η5-C5H4–C(H=N–CH(Me(C6H5}

Directory of Open Access Journals (Sweden)

Concepción López

2014-11-01

Full Text Available The study of the reactivity of the enantiopure ferrocenyl Schiff base (SC-[FcCH=N–CH(Me(C6H5] (1 (Fc = (η5-C5H5Fe(η5-C5H4 with cis-[PtCl2(dmso2] under different experimental conditions is reported. Four different types of chiral Pt(II have been isolated and characterized. One of them is the enantiomerically pure trans-(SC-[Pt{κ1-N[FcCH=N–CH(Me(C6H5]}Cl2(dmso] (2a in which the imine acts as a neutral N-donor ligand; while the other three are the cycloplatinated complexes: [Pt{κ2-C,N [(C6H4–N=CHFc]}Cl(dmso] (7a and the two diastereomers {(Sp,SC and (Rp,SC} of [Pt{κ2-C,N[(η5-C5H3–CH=N–{CH(Me(C6H5}]Fe(η5-C5H5}Cl(dmso] (8a and 9a, respectively. Isomers 7a-9a, differ in the nature of the metallated carbon atom [CPh (in 7a or CFc (in 8a and 9a] or the planar chirality of the 1,2-disubstituted ferrocenyl unit (8a and 9a. Reactions of 7a–9a with PPh3 gave [Pt{κ2-C,N[(C6H4–N=CHFc]}Cl(PPh3] (in 7b and the diastereomers (Sp,SC and (Rp,SC of [Pt{κ2-C,N[(η5-C5H3–CH=N–{CH(Me(C6H5}] Fe(η5-C5H5}Cl(PPh3] (8b and 9b, respectively. Comparative studies of the electrochemical properties and cytotoxic activities on MCF7 and MDA-MB231 breast cancer cell lines of 2a and cycloplatinated complexes 7b-9b are also reported. Theoretical studies based on DFT calculations have also been carried out in order to rationalize the results obtained from the cycloplatination of 1, the stability of the Pt(II complexes and their electrochemical properties.

Anomalous temperature dependence of H{sub c2} in BiSrCuO

Energy Technology Data Exchange (ETDEWEB)

Broto, J.M. [Service National Des Champs Magnetiques Pulses, 31077 Toulouse Cedex (France); Rakoto, H. [Service National Des Champs Magnetiques Pulses, 31077 Toulouse Cedex (France); Ousset, J.C. [Service National Des Champs Magnetiques Pulses, 31077 Toulouse Cedex (France); Coffe, G. [Service National Des Champs Magnetiques Pulses, 31077 Toulouse Cedex (France); Askenazy, S. [Service National Des Champs Magnetiques Pulses, 31077 Toulouse Cedex (France); Osofsky, M.S. [Naval Research Laboratory, Washington, DC 20375-5000 (United States); Soulen, R.J. Jr. [Naval Research Laboratory, Washington, DC 20375-5000 (United States); Wolf, S.A. [Naval Research Laboratory, Washington, DC 20375-5000 (United States); Pari, P. [Centre d`Etudes de Saclay, Service de Physique de l`Etat Condense, Laboratoire des Basses Temperatures, 91191 Gif-sur-Yvette (France); Bozovic, I. [Edward L. Ginzton Research Center, Varian Associates, Palo Alto, CA 94304-1025 (United States); Eckstein, J.N. [Edward L. Ginzton Research Center, Varian Associates, Palo Alto, CA 94304-1025 (United States); Virshup, G.F. [Edward L. Ginzton Research Center, Varian Associates, Palo Alto, CA 94304-1025 (United States)

1995-05-01

H{sub c2}(T) has been measured for thin BSCO films at temperatures down to 65 mK and pulsed fields up to 35 T. H{sub c2}(T) diverged anomalously as the temperature decreased: at the lowest temperature, it was five times that expected for a conventional superconductor. Although deviations from the conventional behavior have been observed in other superconductors, such strong divergence over such a large range of reduced temperature has not been seen before. (orig.).

Semiconductor saturable absorbers for ultrafast terahertz signals

DEFF Research Database (Denmark)

Hoffmann, Matthias C.; Turchinovich, Dmitry

2010-01-01

states, due to conduction band onparabolicity and scattering into satellite valleys in strong THz fields. Saturable absorber parameters, such as linear and nonsaturable transmission, and saturation fluence, are extracted by fits to a classic saturable absorber model. Further, we observe THz pulse......We demonstrate saturable absorber behavior of n-type semiconductors GaAs, GaP, and Ge in the terahertz THz frequency range at room temperature using nonlinear THz spectroscopy. The saturation mechanism is based on a decrease in electron conductivity of semiconductors at high electron momentum...

Segregation of H, C and B to Σ = 5 (0 1 3) α-Fe grain boundary: A theoretical study

International Nuclear Information System (INIS)

Gesari, S.; Irigoyen, B.; Juan, A.

2006-01-01

The ASED-MO theory is used to study the effects of H and the H-C and H-B pairs in the electronic structure of a Fe grain boundary (GB). The results obtained for H in a GB model are consistent with its behavior as a chemical embrittler. The total energies calculated for FeH, FeC and FeB clusters indicate that all interstitials segregate to the GB. C has the lowest energy, followed by B, and could compete with other impurities for the site location on the GB. The results obtained for FeCH and FeBH are consistent with the observed behavior of C and B as cohesion enhancers. A strong repulsive interaction between C and H and B and H atoms is developed if they occupy the nearest interstitial site on the GB. When C or B are present, the total energies are similar to that obtained for the FeH cluster. This indicates that H is displaced from the capped trigonal prism (CTP). Also, we do not detect any C-H or B-H interaction. Density of states (DOS) and crystal orbital overlap population (COOP) curves are used to shed more light on the interstitial-Fe GB interaction. The existence of strong metal-metalloid bonds is shown, which are primarily due to Fe 3d, 4s and C (or B) 2s, 2p interactions

Palladium Catalyzed Allylic C-H Alkylation

DEFF Research Database (Denmark)

Engelin, Casper Junker; Fristrup, Peter

2011-01-01

are highlighted with emphasis on those leading to C-C bond formation, but where it was deemed necessary for the general understanding of the process closely related C-H oxidations and aminations are also included. It is found that C-H cleavage is most likely achieved by ligand participation which could involve......-H alkylation reaction which is the topic of the current review. Particular emphasis is put on current mechanistic proposals for the three reaction types comprising the overall transformation: C-H activation, nucleophillic addition, and re-oxidation of the active catalyst. Recent advances in C-H bond activation...... an acetate ion coordinated to Pd. Several of the reported systems rely on benzoquinone for re-oxidation of the active catalyst. The scope for nucleophilic addition in allylic C-H alkylation is currently limited, due to demands on pKa of the nucleophile. This limitation could be due to the pH dependence...

H-D exchange in metal carbene complexes: Structure of cluster (μ-H)(μ-OCD3)Os3(CO)9{:C(CD3)NC2H8O}

Science.gov (United States)

Savkov, Boris; Maksakov, Vladimir; Kuratieva, Natalia

2015-10-01

X-ray and spectroscopic data for the new complex (μ-H)(μ-OCH3)Os3(CO)9{:C(CD3)NC2H8O} (2) obtained in the reaction of the (μ-H)(μ-Cl)Os3(CO)9{:C(CH3)NC2H8O} (1) with NaOCD3 in CD3OD solution are reported. It is shown that cluster 1 has the property of CH-acidity inherent of Fisher type carbenes. This had demonstrated using hydrogen deuterium exchange reaction in the presence of a strong base. Bridging chlorine to metoxide ligand substitution takes place during the reaction. The molecular structure of 2 is compared with known analogues.

Heat pump cycle by hydrogen-absorbing alloys to assist high-temperature gas-cooled reactor in producing hydrogen

International Nuclear Information System (INIS)

Satoshi, Fukada; Nobutaka, Hayashi

2010-01-01

A chemical heat pump system using two hydrogen-absorbing alloys is proposed to utilise heat exhausted from a high-temperature source such as a high-temperature gas-cooled reactor (HTGR), more efficiently. The heat pump system is designed to produce H 2 based on the S-I cycle more efficiently. The overall system proposed here consists of HTGR, He gas turbines, chemical heat pumps and reaction vessels corresponding to the three-step decomposition reactions comprised in the S-I process. A fundamental research is experimentally performed on heat generation in a single bed packed with a hydrogen-absorbing alloy that may work at the H 2 production temperature. The hydrogen-absorbing alloy of Zr(V 1-x Fe x ) 2 is selected as a material that has a proper plateau pressure for the heat pump system operated between the input and output temperatures of HTGR and reaction vessels of the S-I cycle. Temperature jump due to heat generated when the alloy absorbs H 2 proves that the alloy-H 2 system can heat up the exhaust gas even at 600 deg. C without any external mechanical force. (authors)

Correlation of nanostructure and charge transport properties of oxidized a -SiC:H films

Energy Technology Data Exchange (ETDEWEB)

Gordienko, S.O.; Nazarov, A.N.; Vasin, A.V.; Rusavsky, A.V.; Lysenko, V.S. [Lashkaryov Institute of Semiconductor Physics, National Academy of Sciences of Ukraine, Prospekt Nauki 41, 03028 Kyiv (Ukraine)

2012-06-15

This paper considers the influence of low temperature oxidation on structural and electrical properties of amorphous carbon-rich a -Si{sub 1-x}C{sub x}:H thin films fabricated by reactive RF magnetron sputtering. It is shown that oxidation leads to formation of SiO{sub x} matrix with graphite-like carbon inclusions. Such conductive precipitates has a strong effect on charge transport in oxidized a -Si{sub 1-x}C{sub x}:H films (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Coexistence effect of UVA absorbers to increase their solubility and stability of supersaturation.

Science.gov (United States)

Endo, M; Mukawa, T; Sato, N; Maezawa, D; Ohtsu, Y; Kuroda, A; Wakabayashi, M; Asakura, K

2014-12-01

Sunscreens containing UVA absorbers in high concentrations are expected to be developed, since recent studies have suggested the possibility of involvement of UVA ray in skin cancer and early skin aging. Solubility and stability of supersaturation of UVA absorbers in UVB absorber were determined in the absence and the presence of cosmetic oil. Coexistence effect of UVA absorbers was analyzed to dissolve them in high concentrations. Two UVA absorbers, diethylamino hydroxybenzoyl hexyl benzoate (DHHB) and butyl methoxydibenzoylmethane (BMDM), a UVB absorber, 2-ethylhexyl methoxycinnamate (EHMC), and a cosmetic oil, 2-ethylhexyl ester of oligomer of hydroxystearic acid (EH-O-HSA), were used. Their solutions were prepared at 80°C and cooled to 5°C. The solid DHHB and/or BMDM were added to it, and the time evolution of concentrations of the UVA absorbers in the solution phase was monitored. At the saturation in the absence of EH-O-HSA at 5°C, weight ratio of DHHB and BMDM to EHMC was 0.39/1.00 and 0.22/1.00, respectively. Addition of EH-O-HSA slightly changed the solubility of DHHB and BMDM. When the weight ratio of EH-O-HSA to EHMC was 0.20/1.00, weight ratio of DHHB and BMDM to EHMC was 0.35/1.00 and 0.25/1.00, respectively at the saturation at 5°C. In the presence of EH-O-HSA, a strong coexistence effect of DHHB and BMDM was found on their solubility. A thermodynamically stable saturated solution at 5°C having the composition that DHHB: BMDM: EHMC: EH-O-HSA = 0.47: 0.46: 1.00: 0.20 was obtained by the simultaneous addition of solid DHHB and BMDM into the initial solution. The solution type composite having the highest concentrations of DHHB and BMDM prepared in this study exhibited critical wavelength at 368 nm that was just below the border for sunscreens being qualified as 'Broad Spectrum' protection under the new rule launched by US FDA. © 2014 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Zinc-induced Self-association of Complement C3b and Factor H

Science.gov (United States)

Nan, Ruodan; Tetchner, Stuart; Rodriguez, Elizabeth; Pao, Po-Jung; Gor, Jayesh; Lengyel, Imre; Perkins, Stephen J.

2013-01-01

The sub-retinal pigment epithelial deposits that are a hallmark of age-related macular degeneration contain both C3b and millimolar levels of zinc. C3 is the central protein of complement, whereas C3u is formed by the spontaneous hydrolysis of the thioester bridge in C3. During activation, C3 is cleaved to form active C3b, then C3b is inactivated by Factor I and Factor H to form the C3c and C3d fragments. The interaction of zinc with C3 was quantified using analytical ultracentrifugation and x-ray scattering. C3, C3u, and C3b associated strongly in >100 μm zinc, whereas C3c and C3d showed weak association. With zinc, C3 forms soluble oligomers, whereas C3u and C3b precipitate. We conclude that the C3, C3u, and C3b association with zinc depended on the relative positions of C3d and C3c in each protein. Computational predictions showed that putative weak zinc binding sites with different capacities exist in all five proteins, in agreement with experiments. Factor H forms large oligomers in >10 μm zinc. In contrast to C3b or Factor H alone, the solubility of the central C3b-Factor H complex was much reduced at 60 μm zinc and even more so at >100 μm zinc. The removal of the C3b-Factor H complex by zinc explains the reduced C3u/C3b inactivation rates by zinc. Zinc-induced precipitation may contribute to the initial development of sub-retinal pigment epithelial deposits in the retina as well as reducing the progression to advanced age-related macular degeneration in higher risk patients. PMID:23661701

Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C₂H₂—H₂O and C₂H₄—H₂O complexes

DEFF Research Database (Denmark)

Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

2017-01-01

-bonded configuration with the H2O subunit acting as the hydrogen bond donor to the π-cloud of C2H4. A (semi)-empirical value for the change of vibrational zero-point energy of 4.0–4.1 kJ mol−1 is proposed and the combination with quantum chemical calculations at the CCSD(T)-F12b/aug-cc-pVQZ level provides a reliable....... The present findings demonstrate that the relative stability of the weak hydrogen bond motifs is not entirely rooted in differences of electronic energy but also to a large extent by differences in the vibrational zero-point energy contributions arising from the class of large-amplitude intermolecular modes....... estimate of 7.1 ± 0.3 kJ mol−1 for the dissociation energy D0 of the C2H4—H2O complex. In addition, tentative assignments for the two strongly infrared active OH librational modes of the ternary C2H4—HOH—C2H4 complex having H2O as a doubly OH⋯π hydrogen bond donor are proposed at 213.6 and 222.3 cm−1...

Thermodynamic properties of hydrated cement phases: C-S-H, C-A-S-H and M-S-H

International Nuclear Information System (INIS)

Roosz, Cedric

2016-01-01

Concrete is one of the most widely used building materials in the world. Durability, mechanical and chemical properties have made it a material of choice in storage concepts proposed by the French National Agency for Radioactive Waste Management (Andra), including the achievement of retaining structures, cell plugs, massive supports or conditioning waste. The study of the stability of the constituent phases of cementitious materials is needed in view of the planned quantities and the durability of the structures, and must consider (i) temperature ranges suitable for cement matrices containment in contact with exothermic waste (25-80 deg. C), and (ii) a representative time scale of the lifetime of the storage. The Andra ThermoChimie project therefore aims to develop a consistent thermodynamic database, to model the chemical evolution of cement materials in the environment of radioactive waste. However, in the present state, the database offers only thermodynamic data of cementitious crystalline phases, as well as a limited data set of three different chemical compositions for nano-crystalline C-S-H. This does not allow to reproduce the degradation of cementitious materials, or model the degradation of the new formulations, such as 'Low pH' concretes. The objective is therefore to acquire a thermodynamic complementary data set on phases such as C-S-H (Calcium Silicate Hydrates) C-A-S-H (Calcium Aluminate Silicate Hydrates) and M-S-H (Magnesium Silicate Hydrates), to complete the ThermoChimie database. This study is based on experimental, analytical and digital work, in order to obtain a set of thermodynamic data (Δ f G 0 , Δ f H 0 , Cp(T), S 0 ) sufficiently representative of the chemical variability of these phases. Finally, this set of data allows the development of a thermodynamic predictive model in extended spaces of compositions and temperatures. Development of this predictive model requires (i) The acquisition of thermodynamic properties on

Tritium Labeled Gentamicin C: II.- Bioradiactive Degradation Products of Gentamicin by Catalytic H2O-3H Exchange Reaction; Getamicina C Tritiada: II.- Productos de Degradacion Radiactivos y Bioactivos en el Intercambio Catalitico con H2O-3H

Energy Technology Data Exchange (ETDEWEB)

Suarez, C.; Diaz, A.; Paz, D.; Jimeno, M. L.

1992-07-01

The main bio radioactive degradation products from catalytic hydrogen exchange of gentamicin C, (C1 + C2 + Cla) in basic form, are generated by N-demethylation in 3{sup -}N and 6-N positions. Their structures were confirmed by 1HNMR and 13CNMR. These derivatives were fractionated by chromatography on silica gel. Antibacterial activities were similar to those of the parent antibiotics. Tritium exchange, under vacuum or nitrogen, is highly increased (4:1) when gentamicin are in basic form. In contrast with gentamicin sulfate, hydrolytic sub products as gramine, genta mines, garosamine and purpurosamines are practically absent. To properly optimize the exchange process, the composition of the gentamicin C complex must be taken into account. The exchange decreases in the order C2 > C1> Cla. Because of 6'-N-demethyl gentamicin C1 is C2, the radiochemical yield of C2 appears enhanced in the H2O-3H exchange of a mixture of them. Radioactivity distribution among the components and subunits of these three gentamicin were studied by strong and mild hydrolysis, and by methanolysis. (Author) 18 refs.

H2O2-responsive liposomal nanoprobe for photoacoustic inflammation imaging and tumor theranostics via in vivo chromogenic assay.

Science.gov (United States)

Chen, Qian; Liang, Chao; Sun, Xiaoqi; Chen, Jiawen; Yang, Zhijuan; Zhao, He; Feng, Liangzhu; Liu, Zhuang

2017-05-23

Abnormal H 2 O 2 levels are closely related to many diseases, including inflammation and cancers. Herein, we simultaneously load HRP and its substrate, 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), into liposomal nanoparticles, obtaining a Lipo@HRP&ABTS optical nanoprobe for in vivo H 2 O 2 -responsive chromogenic assay with great specificity and sensitivity. In the presence of H 2 O 2 , colorless ABTS would be converted by HRP into the oxidized form with strong near-infrared (NIR) absorbance, enabling photoacoustic detection of H 2 O 2 down to submicromolar concentrations. Using Lipo@HRP&ABTS as an H 2 O 2 -responsive nanoprobe, we could accurately detect the inflammation processes induced by LPS or bacterial infection in which H 2 O 2 is generated. Meanwhile, upon systemic administration of this nanoprobe we realize in vivo photoacoustic imaging of small s.c. tumors (∼2 mm in size) as well as orthotopic brain gliomas, by detecting H 2 O 2 produced by tumor cells. Interestingly, local injection of Lipo@HRP&ABTS further enables differentiation of metastatic lymph nodes from those nonmetastatic ones, based on their difference in H 2 O 2 contents. Moreover, using the H 2 O 2 -dependent strong NIR absorbance of Lipo@HRP&ABTS, tumor-specific photothermal therapy is also achieved. This work thus develops a sensitive H 2 O 2 -responsive optical nanoprobe useful not only for in vivo detection of inflammation but also for tumor-specific theranostic applications.

Average [O II] nebular emission associated with Mg II absorbers: dependence on Fe II absorption

Science.gov (United States)

Joshi, Ravi; Srianand, Raghunathan; Petitjean, Patrick; Noterdaeme, Pasquier

2018-05-01

We investigate the effect of Fe II equivalent width (W2600) and fibre size on the average luminosity of [O II] λλ3727, 3729 nebular emission associated with Mg II absorbers (at 0.55 ≤ z ≤ 1.3) in the composite spectra of quasars obtained with 3 and 2 arcsec fibres in the Sloan Digital Sky Survey. We confirm the presence of strong correlations between [O II] luminosity (L_{[O II]}) and equivalent width (W2796) and redshift of Mg II absorbers. However, we show L_{[O II]} and average luminosity surface density suffer from fibre size effects. More importantly, for a given fibre size, the average L_{[O II]} strongly depends on the equivalent width of Fe II absorption lines and found to be higher for Mg II absorbers with R ≡W2600/W2796 ≥ 0.5. In fact, we show the observed strong correlations of L_{[O II]} with W2796 and z of Mg II absorbers are mainly driven by such systems. Direct [O II] detections also confirm the link between L_{[O II]} and R. Therefore, one has to pay attention to the fibre losses and dependence of redshift evolution of Mg II absorbers on W2600 before using them as a luminosity unbiased probe of global star formation rate density. We show that the [O II] nebular emission detected in the stacked spectrum is not dominated by few direct detections (i.e. detections ≥3σ significant level). On an average, the systems with R ≥ 0.5 and W2796 ≥ 2 Å are more reddened, showing colour excess E(B - V) ˜ 0.02, with respect to the systems with R < 0.5 and most likely trace the high H I column density systems.

Experimental investigation of slow-positron emission from 4H-SiC and 6H-SiC surfaces

International Nuclear Information System (INIS)

Ling, C.C.; Beling, C.D.; Fung, S.; Weng, H.M.

2002-01-01

Slow-positron emission from the surfaces of as-grown n-type 4H-SiC and 6H-SiC (silicon carbide) with a conversion efficiency of ∼10 -4 has been observed. After 30 min of 1000 deg. C annealing in forming gas, the conversion efficiency of the n-type 6H-SiC sample was observed to be enhanced by 75% to 1.9x10 -4 , but it then dropped to ∼10 -5 upon a further 30 min annealing at 1400 deg. C. The positron work function of the n-type 6H-SiC was found to increase by 29% upon 1000 deg. C annealing. For both p-type 4H-SiC and p-type 6H-SiC materials, the conversion efficiency was of the order of ∼10 -5 , some ten times lower than that for the n-type materials. This was attributed to the band bending at the p-type material surface which caused positrons to drift away from the positron emitting surface. (author)

Electrochemical Cobalt-Catalyzed C-H Activation.

Science.gov (United States)

Sauermann, Nicolas; Meyer, Tjark H; Ackermann, Lutz

2018-06-19

Carbon-heteroatom bonds represent omnipresent structural motifs of the vast majority of functionalized materials and bioactive compounds. C-H activation has emerged as arguably the most efficient strategy to construct C-Het bonds. Despite of major advances, these C-H transformations were largely dominated by precious transition metal catalysts, in combination with stoichiometric, toxic metal oxidants. Herein, we discuss the recent evolution of cobalt-catalyzed C-H activations that enable C-Het formations with electricity as the sole sustainable oxidant until May 2018. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photodissociation of C3H5Br and C4H7Br at 234 nm

International Nuclear Information System (INIS)

Kim, Hyun Kook; Paul, Dababrata; Hong, Ki Ryong; Cho, Ha Na; Kim, Tae Kyu; Lee, Kyoung Seok

2012-01-01

The photodissociation dynamics of cyclopropyl bromide (C-3H 5 Br) and cyclobutyl bromide (C 4 H 7 Br) at 234 nm was investigated. A two-dimensional photofragment ion-imaging technique coupled with a [2+1] resonance enhanced multiphoton ionization scheme was utilized to obtain speed and angular distributions of the nascent Br( 2 P 3/2 ) and Br*( 2 P 1/2 ) atoms. The recoil anisotropies for the Br and Br* channels were measured to be βBr = 0.92 ± 0.03 and βBr* = 1.52 ± 0.04 for C 3 H 5 Br and βBr = 1.10 ± 0.03 and βBr* = 1.49 ± 0.05 for C 4 H 7 Br. The relative quantum yield for Br was found to be ΦBr = 0.13 ± 0.03 and for C 3 H 5 Br and C 4 H 7 Br, respectively. The soft radical limit of the impulsive model adequately modeled the related energy partitioning. The nonadiabatic transition probability from the 3A' and 4A' potential energy surfaces was estimated and discussed

Quantitative film detection of 3H and 14C in polyacrylamide gels by fluorography

International Nuclear Information System (INIS)

Laskey, R.A.; Mills, A.D.

1975-01-01

Methods which use the scintillator PPO to record film images of 3 H in chromatograms and polyacrylamide gels (fluorography) have been described elsewhere. This paper demonstrates that pre-exposure of the film to a brief flash of light greatly increases the sensitivity of fluorography. Pre-exposure also permits quantitative interpretation of the film image, because it corrects the non-linear relationship between redioactivity of the sample and absorbance of the film image. Therefore the distribution of radioactivity in the sample is accurately represented by micro-densitometry of the image obtained on pre-exposed film. Using pre-exposed film 300 dis. 3 H/min or 30 dis. 14 C/min can be detected in a band in a gel in a 24-h exposure. The appendix describes revisions and extensions of existing fluorographic procedures, including application to agarose gels and a rapid procedure for recovering PPO for re-use. (orig.) [de

Accumulation of uranium in plant roots absorbed from aqueous solutions

International Nuclear Information System (INIS)

Dohi, Terumi; Haga, Nobuhiko; Nakashima, Satoru; Tagai, Tokuhei

2007-01-01

In order to study accumulation mechanisms of uranium (U) in terrestrial plants, uptake experiments for U have been carried out by using Indian mustard (Brassica juncea). This plant is edible and known as a heavy metal accumulator, especially for cadmium (Cd). About 30 rootsstocks of Indian mustard grown hydroponically in laboratory dishes were kept in uranyl (UO 2 2+ ) nitrate solutions (initially 0.5 mmol/l) at 25degC for 24, 48 and 72 hours (h). The average U concentrations in leaves increased until 48 h up to about 0.6 mg/g and then decreased slightly. Those in roots showed similar trends, but with much higher maximum U concentrations of about 30 mg/g. Backscattered electron images under SEM of the roots showed that U was accumulated on the cell edges. EPMA elemental mapping indicated that phosphorus (P) distribution had a very strong correlation with that of U. The distribution of sulfur (S) appeared to be somewhat different form these U and P distributions. These results suggest that U can be absorbed into plant roots as uranyl (UO 2 2+ ) and might be fixed at the phospholipid rich cell membranes. This U accumulation mechanism appeared to be different from that for Cd which has a close association with S. (author)

Experimental and theoretical studies of the C{sub 6}H{sub 5} + C{sub 6}H{sub 6} reaction

Energy Technology Data Exchange (ETDEWEB)

Park, J.; Burova, S.; Rodgers, A.S.; Lin, M.C.

1999-11-11

The absolute rate constants for the C{sub 6}H{sub 5} + C{sub 6}H{sub 6} and C{sub 6}D{sub 6} reactions have been measured by cavity ringdown spectrometry at temperatures between 298 and 495 K at a constant 40 Torr Ar pressure. The new results, which reveal no detectable kinetic isotopic effect, can be represented by the Arrhenius equation, {kappa}{sub 1} = 10{sup (11.91{+-}0.13)} exp[{minus}(2,102 {+-} 106)/T] cm{sup 3}/(mol s). Low-temperature data for the addition/stabilization process, C{sub 6}H{sub 5} + C{sub 6}H{sub 6} {r{underscore}arrow} C{sub 12}H{sub 11}, can be correlated with those obtained in a low-pressure, high-temperature Knudsen cell study for the addition/displacement reaction, C{sub 6}H{sub 5} + C{sub 6}H{sub 6} {r{underscore}arrow} C{sub 12}H{sub 10} + H, by the RRKM theory using the molecular and transition-state parameters computed at the B3LYP/6-311G(d,p) level of theory. Combination of these two sets of data gives {kappa}{sub 1} = 10{sup (11.98{+-}0.03)} exp[{minus}(2168 {+-} 34)/T] cm{sup 3}/(mol s) covering the temperature range 298--1,330 K. The RRKM theory also correlates satisfactorily the forward reaction data with the high-temperature shock-tube result for the reverse H-for-C{sub 6}H{sub 5} substitution process with 2.7 and 4.7 kcal/mol barriers for the entrance (C{sub 6}H{sub 5} + C{sub 6}H{sub 6}) and reverse (H + C{sub 12}H{sub 10}) reactions, respectively. For modeling applications, the authors have calculated the forward reaction rate constants for the formation of the two competing products, H + C{sub 12}H{sub 10} and C{sub 12}H{sub 11}, at several pressures covering 300 K {lt} T {lt} 2,500 K.

Identifying the Tunneling Site in Strong-Field Ionization of H_{2}^{+}.

Science.gov (United States)

Liu, Kunlong; Barth, Ingo

2017-12-15

The tunneling site of the electron in a molecule exposed to a strong laser field determines the initial position of the ionizing electron and, as a result, has a large impact on the subsequent ultrafast electron dynamics on the polyatomic Coulomb potential. Here, the tunneling site of the electron of H_{2}^{+} ionized by a strong circularly polarized (CP) laser pulse is studied by numerically solving the time-dependent Schrödinger equation. We show that the electron removed from the down-field site is directly driven away by the CP field and the lateral photoelectron momentum distribution (LPMD) exhibits a Gaussian-like distribution, whereas the corresponding LPMD of the electron removed from the up-field site differs from the Gaussian shape due to the Coulomb focusing and scattering by the down-field core. Our current study presents the direct evidence clarifying a long-standing controversy over the tunneling site in H_{2}^{+} and raises the important role of the tunneling site in strong-field molecular ionization.

Volume properties and refraction of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids lysine, threonine, and oxyproline (C60(C6H13N2O2)2, C60(C4H8NO3)2, and C60(C5H9NO2)2) at 25°C

Science.gov (United States)

Semenov, K. N.; Ivanova, N. M.; Charykov, N. A.; Keskinov, V. A.; Kalacheva, S. S.; Duryagina, N. N.; Garamova, P. V.; Kulenova, N. A.; Nabieva, A.

2017-02-01

Concentration dependences of the density of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids are studied by pycnometry. Concentration dependences of the average molar volumes and partial volumes of components (H2O and corresponding bisadducts) are calculated for C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems at 25°C. Concentration dependences of the indices of refraction of C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems are determined at 25°C. The concentration dependences of specific refraction and molar refraction of bisadducts and aqueous solutions of them are calculated.

Absorbing Aerosols Workshop, January 20-21, 2016

Energy Technology Data Exchange (ETDEWEB)

Nasiri, Shaima [Brookhaven National Lab. (BNL), Upton, NY (United States); Williamson, Ashley [Brookhaven National Lab. (BNL), Upton, NY (United States); Cappa, Christopher D. [Univ. of California, Berkeley, CA (United States); Kotamarthi, Davis Rao [Argonne National Lab. (ANL), Argonne, IL (United States); Sedlacek, Arthur J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Flynn, Conner [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lewis, Ernie [Brookhaven National Lab. (BNL), Upton, NY (United States); McComiskey, Allison [National Oceanic and Atmospheric Administration (NOAA), Boulder, CO (United States); Riemer, Nicole [Univ. of Illinois, Chicago, IL (United States)

2016-07-01

A workshop was held at DOE Headquarters on January 20-21, 2016 during which experts within and outside DOE were brought together to identify knowledge gaps in modeling and measurement of the contribution of absorbing aerosols (AA) to radiative forcing. Absorbing aerosols refer to those aerosols that absorb light, whereby they both reduce the amount of sunlight reaching the surface (direct effect) and heat their surroundings. By doing so, they modify the vertical distribution of heat in the atmosphere and affect atmospheric thermodynamics and stability, possibly hastening cloud drop evaporation, and thereby affecting cloud amount, formation, dissipation and, ultimately, precipitation. Deposition of AA on snow and ice reduces surface albedo leading to accelerated melt. The most abundant AA type is black carbon (BC), which results from combustion of fossil fuel and biofuel. The other key AA types are brown carbon (BrC), which also results from combustion of fossil fuel and biofuel, and dust (crustal material). Each of these sources may result from, and be strongly influenced by, anthropogenic activities. The properties and amounts of AA depend upon various factors, primarily fuel source and burn conditions (e.g., internal combustion engine, flaming or smoldering wildfire), vegetation type (in the case of BC and BrC), and in the case of dust, soil type and ground cover (i.e., vegetation, snow, etc.). After emission, AA undergo chemical processing in the atmosphere that affects their physical and chemical properties. Thus, attribution of sources of AA, and understanding processes AA undergo during their atmospheric lifetimes, are necessary to understand how they will behave in a changing climate.

Tritium Labeled Gentamicin C: II.- Bioradiactive Degradation Products of Gentamicin by Catalytic H2O-3H Exchange Reaction

International Nuclear Information System (INIS)

Suarez, C.; Diaz, A.; Paz, D.; Jimeno, M. L.

1992-01-01

The main bio radioactive degradation products from catalytic hydrogen exchange of gentamicin C, (C1 + C2 + Cla) in basic form, are generated by N-demethylation in 3 - N and 6-N positions. Their structures were confirmed by 1HNMR and 13CNMR. These derivatives were fractionated by chromatography on silica gel. Antibacterial activities were similar to those of the parent antibiotics. Tritium exchange, under vacuum or nitrogen, is highly increased (4:1) when gentamicin are in basic form. In contrast with gentamicin sulfate, hydrolytic sub products as gramine, genta mines, garosamine and purpurosamines are practically absent. To properly optimize the exchange process, the composition of the gentamicin C complex must be taken into account. The exchange decreases in the order C2 > C1> Cla. Because of 6'-N-demethyl gentamicin C1 is C2, the radiochemical yield of C2 appears enhanced in the H2O-3H exchange of a mixture of them. Radioactivity distribution among the components and subunits of these three gentamicin were studied by strong and mild hydrolysis, and by methanolysis. (Author) 18 refs

Direct measurements of rate constants for the reactions of CH3 radicals with C2H6, C2H4, and C2H2 at high temperatures.

Science.gov (United States)

Peukert, S L; Labbe, N J; Sivaramakrishnan, R; Michael, J V

2013-10-10

The shock tube technique has been used to study the reactions CH3 + C2H6 → C2H4 + CH4 + H (1), CH3 + C2H4 → Products + H (2), and CH3 + C2H2 → Products + H (3). Biacetyl, (CH3CO)2, was used as a clean high temperature thermal source for CH3-radicals for all the three reactions studied in this work. For reaction 1, the experiments span a T-range of 1153 K ≤ T ≤ 1297 K, at P ~ 0.4 bar. The experiments on reaction 2 cover a T-range of 1176 K ≤ T ≤ 1366 K, at P ~ 1.0 bar, and those on reaction 3 a T-range of 1127 K ≤ T ≤ 1346 K, at P ~ 1.0 bar. Reflected shock tube experiments performed on reactions 1-3, monitored the formation of H-atoms with H-atom Atomic Resonance Absorption Spectrometric (ARAS). Fits to the H-atom temporal profiles using an assembled kinetics model were used to make determinations for k1, k2, and k3. In the case of C2H6, the measurements of [H]-atoms were used to derive direct high-temperature rate constants, k1, that can be represented by the Arrhenius equation k1(T) = 5.41 × 10(-12) exp(-6043 K/T) cm(3) molecules(-1) s(-1) (1153 K ≤ T ≤ 1297 K) for the only bimolecular process that occurs, H-atom abstraction. TST calculations based on ab initio properties calculated at the CCSD(T)/CBS//M06-2X/cc-pVTZ level of theory show excellent agreement, within ±20%, of the measured rate constants. For the reaction of CH3 with C2H4, the present rate constant results, k2', refer to the sum of rate constants, k(2b) + k(2c), from two competing processes, addition-elimination, and the direct abstraction CH3 + C2H4 → C3H6 + H (2b) and CH3 + C2H4 → C2H2 + H + CH4 (2c). Experimental rate constants for k2' can be represented by the Arrhenius equation k2'(T) = 2.18 × 10(-10) exp(-11830 K/T) cm(3) molecules(-1) s(-1) (1176 K ≤ T ≤ 1366 K). The present results are in excellent agreement with recent theoretical predictions. The present study provides the only direct measurement for the high-temperature rate constants for these channels

Beryllium-induced immune response in C3H mice

Energy Technology Data Exchange (ETDEWEB)

Benson, J.M.; Bice, D.E.; Nikula, K.J. [and others

1995-12-01

Studies conducted at ITRI over the past several years have investigated whether Beagle dogs, monkeys, and mice are suitable models for human chronic beryllium-induced lung disease (CBD). Recent studies have focused on the histopathological and immunopathological changes occurring in A/J and C3H/HeJ mice acutely exposed by inhalation to Be metal. Lung lesions in both strains of mice included focal lymphocyte aggregates comprised primarily of B lymphocytes and lesser amounts of T-helper lymphocytes and microgranulomas consisting chiefly of macrophages and T-helper lymphocytes. The distribution of proliferating cells within the microgranulomas was similar to the distribution of T-helper cells. These results strongly suggested that A/J and C3H/HeJ mice responded to inhaled Be metal in a fashion similar to humans in terms of pulmonary lesions and the apparent in situ proliferation of T-helper cells. Results of these studies confirm lymphocyte involvement in the pulmonary response to inhaled Be metal.

Neutron diffraction study of phase relationship of Ti-C-H system

International Nuclear Information System (INIS)

Khidirov, I.; Mukhtarova, N.N.; Mirzaev, B.B.; Serikbaev, B.T.; Zaginaichenko, S.Yu.; Schur, D.V.; Pishuk, V.K.; Kuzmenko, L.V.; Garbuz, V.V.; Nuzhda, S.V.; Pishuk, O.V.

2006-01-01

Full text: Due to such properties as high temperature of melting, solidity, stability in aggressive environments, etc., titanium carbide is widely used in modern techniques. It is necessary to know the phase relationships in Ti-C system for scientifically proved using. According to the phase diagram of Ti-C system, there are three phases in it: the solid solutions of carbon in the hexagonal lattice of α-Ti and in the body-centered cubic (BCC) lattice of β-Ti with rather limited solubility and also the face-centered cubic (FCC) titanium carbide TiC x with wide homogeneity range (TiC 0,32 / TiC 1,00 ). A number of the ordered phases was observed on the basis of FCC-phase. It is known, that even insignificant hydrogen impurity strongly influences at the phase relations in Ti-C system. At the same time because of specificity of some technologies of titanium carbide reception, it contains an impurity of hydrogen in its composition. However influence of hydrogen on phase relations of Ti-C system is not investigated enough. The aim of the work is to study hydrogen influence on the phase relations in Ti-C system by neutron (λ =1.085 A) and X-ray ( λ =1.5418 A) diffraction methods. Samples of TiC x H y (x = C/Ti, y H/Ti) were synthesized in the wide interval of carbon and hydrogen concentrations by sintering method from the powder of titanium of PTS trade-mark containing 0,35 mass % of hydrogen, by addition both of given quantity of TiH 2 and of soot of the trade-mark 'very pure'; the samples were studied by neutron and X-ray diffraction methods. Quartz ampoules with briquettes of the samples were pumped out up to vacuum of 1.33 10'-'4 Pa at the room temperature and were sintered in the furnace using the special regime selected by us. The briquettes were annealed from the temperature of 600 deg. C. As our experiments show, at this temperature the formation of Ti 2 C 1-x H 2-x solid solution and rapid absorption of hydrogen by this solution were observed. Also at this

Depth dependent modification of optical constants arising from H+ implantation in n-type 4H-SiC measured using coherent acoustic phonons

Directory of Open Access Journals (Sweden)

Andrey Baydin

2016-06-01

Full Text Available Silicon carbide (SiC is a promising material for new generation electronics including high power/high temperature devices and advanced optical applications such as room temperature spintronics and quantum computing. Both types of applications require the control of defects particularly those created by ion bombardment. In this work, modification of optical constants of 4H-SiC due to hydrogen implantation at 180 keV and at fluences ranging from 1014 to 1016 cm−2 is reported. The depth dependence of the modified optical constants was extracted from coherent acoustic phonon spectra. Implanted spectra show a strong dependence of the 4H-SiC complex refractive index depth profile on H+ fluence. These studies provide basic insight into the dependence of optical properties of 4H silicon carbide on defect densities created by ion implantation, which is of relevance to the fabrication of SiC-based photonic and optoelectronic devices.

Transmission line model and fields analysis of metamaterial absorber in the terahertz band.

Science.gov (United States)

Wen, Qi-Ye; Xie, Yun-Song; Zhang, Huai-Wu; Yang, Qing-Hui; Li, Yuan-Xun; Liu, Ying-Li

2009-10-26

Metamaterial (MM) absorber is a novel device to provide near-unity absorption to electromagnetic wave, which is especially important in the terahertz (THz) band. However, the principal physics of MM absorber is still far from being understood. In this work, a transmission line (TL) model for MM absorber was proposed, and with this model the S-parameters, energy consumption, and the power loss density of the absorber were calculated. By this TL model, the asymmetric phenomenon of THz absorption in MM absorber is unambiguously demonstrated, and it clarifies that strong absorption of this absorber under studied is mainly related to the LC resonance of the split-ring-resonator structure. The distribution of power loss density in the absorber indicates that the electromagnetic wave is firstly concentrated into some specific locations of the absorber and then be strongly consumed. This feature as electromagnetic wave trapper renders MM absorber a potential energy converter. Based on TL model, some design strategies to widen the absorption band were also proposed for the purposes to extend its application areas.

Radiation sterilization of absorbent cotton and of absorbent gauze

International Nuclear Information System (INIS)

Hosobuchi, Kazunari; Oka, Mitsuru; Kaneko, Akira; Ishiwata, Hiroshi.

1986-01-01

The bioburden of absorbent cotton and of absorbent gauze and their physical and chemical characteristics after irradiation are investigated. The survey conducted on contaminants of 1890 cotton samples from 53 lots and 805 gauze samples from 56 lots showed maximum numbers of microbes per g of the cotton and gauze were 859 (an average of 21.4) and 777 (an average of 42.2), respectively. Isolation and microbiological and biochemical tests of representative microbes indicated that all of them, except one, were bacilli. The sterilization dose at 10 -6 of sterlity assurance level was found to be 2.0 Mrad when irradiated the spores loaded on paper strips and examined populations having graded D values from 0.10 to 0.28 Mrad. The sterilization dose would be about 1.5 Mrad if subjected the average numbers of contaminants observed in this study to irradiation. No significant differences were found between the irradiated samples and control up to 2 Mrad in tensile strength, change of color, absorbency, sedimentation rate, soluble substances, and pH of solutions used for immersion and other tests conventionally used. These results indicate that these products can be sterilized by irradiation. (author)

Three dimensional measurements of absorbed dose in BNCT by Fricke-gel imaging

International Nuclear Information System (INIS)

Gambarini, G.; Agosteo, S.; Marchesi, P.; Nava, E.; Palazzi, P.; Pecci, A.; Rosa, R.; Rosi, G.; Tinti, R.

2001-01-01

A method has been studied for absorbed dose imaging and profiling in a phantom exposed to thermal or epithermal neutron fields, also discriminating between various contributions to the absorbed dose. The proposed technique is based on optical imaging of FriXy-gel phantoms, which are proper tissue-equivalent phantoms acting as continuous dosimeters. Convenient modifications in phantom composition allow, from differential measurements, the discrimination of various contributions to the absorbed dose. The dosimetry technique is based on a chemical dosimeter incorporated in a tissue-equivalent gel (Agarose). The chemical dosimeter is a ferrous sulphate solution (which is the main component of the standard Fricke dosimeter) added with a metal ion indicator (Xylenol Orange). The absorbed dose is measured by analysing the variation of gel optical absorption in the visible spectrum, imaged by means of a CCD camera provided with a suitable filter. The technique validity has been tested by irradiating and analysing phantoms in the thermal facility of the fast research reactor TAPIRO (ENEA, Casaccia, Italy). In a cylindrical phantom simulating a head, we have imaged the therapy dose from thermal neutron reactions with 10 B and the dose in healthy tissue not containing boron. In tissue without boron, we have discriminated between the two main contributions to the absorbed dose, which comes from the 1 H(n,γ) 2 H and 14 N(n,p) 14 C reactions. The comparison with the results of other experimental techniques and of simulations reveals that the technique is very promising. A method for the discrimination of fast neutron contribution to the absorbed dose, still in an experimental stage, is proposed too. (author)

Electromagnetic radiation absorbers and modulators comprising polyaniline

Science.gov (United States)

Epstein, Arthur J.; Ginder, John M.; Roe, Mitchell G.; Hajiseyedjavadi, Hamid

1992-01-01

A composition for absorbing electromagnetic radiation, wherein said electromagnetic radiation possesses a wavelength generally in the range of from about 1000 Angstroms to about 50 meters, wherein said composition comprises a polyaniline composition of the formula ##STR1## where y can be equal to or greater than zero, and R.sup.1 and R.sup.2 are independently selected from the group containing of H, --OCH.sub.3, --CH.sub.3, --F, --Cl, --Br, --I, NR.sup.3 .sub.2, --NHCOR.sup.3, --OH, --O.sup.-, SR.sup.3, --OCOR.sup.3, --NO.sub.2, --COOH, --COOR.sup.3, --COR.sup.3, --CHO, and --CN, where R.sup.3 is a C.sub.1 to C.sub.8 alkyl, aryl or aralkyl group.

Amidines for versatile ruthenium(II)-catalyzed oxidative C-H activations with internal alkynes and acrylates.

Science.gov (United States)

Li, Jie; John, Michael; Ackermann, Lutz

2014-04-25

Cationic ruthenium complexes derived from KPF6 or AgOAc enabled efficient oxidative CH functionalizations on aryl and heteroaryl amidines. Thus, oxidative annulations of diversely decorated internal alkynes provided expedient access to 1-aminoisoquinolines, while catalyzed C-H activations with substituted acrylates gave rise to structurally novel 1-iminoisoindolines. The powerful ruthenium(II) catalysts displayed a remarkably high site-, regio- and, chemoselectivity. Therefore, the catalytic system proved tolerant of a variety of important electrophilic functional groups. Detailed mechanistic studies provided strong support for the cationic ruthenium(II) catalysts to operate by a facile, reversible C-H activation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cat-CVD-prepared oxygen-rich μc-Si:H for wide-bandgap material

International Nuclear Information System (INIS)

Matsumoto, Yasuhiro; Ortega, Mauricio; Peza, Juan-Manuel; Reyes, Mario-Alfredo; Escobosa, Arturo

2005-01-01

Microcrystalline phase-involved oxygen-rich a-Si:H (hydrogenated amorphous silicon) films have been obtained using catalytic chemical vapor deposition (Cat-CVD) process. Pure SiH 4 (silane), H 2 (hydrogen), and O 2 (oxygen) gases were introduced in the chamber by maintaining a pressure of 0.1 Torr. A tungsten catalyzer was fixed at temperatures of 1750 and 1950 deg. C for film deposition on glass and crystalline silicon substrates at 200 deg. C. As revealed from X-ray diffraction spectra, the microcrystalline phase appears for oxygen-rich a-Si:H samples deposited at a catalyzer temperature of 1950 deg. C. However, this microcrystalline phase tends to disappear for further oxygen incorporation. The oxygen content in the deposited films was corroborated by FTIR analysis revealing Si-O-Si bonds and typical Si-H bonding structures. The optical bandgap of the sample increases from 2.0 to 2.7 eV with oxygen gas flow and oxygen incorporation to the deposited films. In the present thin film deposition conditions, no strong tungsten filament degradation was observed after a number of sample preparations

Mg II-Absorbing Galaxies in the UltraVISTA Survey

Science.gov (United States)

Stroupe, Darren; Lundgren, Britt

2018-01-01

Light that is emitted from distant quasars can become partially absorbed by intervening gaseous structures, including galaxies, in its path toward Earth, revealing information about the chemical content, degree of ionization, organization and evolution of these structures through time. In this project, quasar spectra are used to probe the halos of foreground galaxies at a mean redshift of z=1.1 in the COSMOS Field. Mg II absorption lines in Sloan Digital Sky Survey quasar spectra are paired with galaxies in the UltraVISTA catalog at an impact parameter less than 200 kpc. A sample of 77 strong Mg II absorbers with a rest-frame equivalent width ≥ 0.3 Å and redshift from 0.34 < z < 2.21 are investigated to find equivalent width ratios of Mg II, C IV and Fe II absorption lines, and their relation to the impact parameter and the star formation rates, stellar masses, environments and redshifts of their host galaxies.

Selective solar absorber emittance measurement at elevated temperature

Science.gov (United States)

Giraud, Philémon; Braillon, Julien; Raccurt, Olivier

2017-06-01

Durability of solar components for CSP (Concentrated Solar Power Plant) technologies is a key point to lower cost and ensure their large deployment. These technologies concentrated the solar radiation by means of mirrors on a receiver tube where it is collected as thermal energy. The absorbers are submitted to strong environmental constraints and the degradation of their optical properties (emittance and solar absorbance) have a direct impact on performance. The characterization of a material in such condition is complicated and requires advanced apparatuses, and different measurement methods exist for the determination of the two quantities of relevance regarding an absorber, which are its emittance and its solar absorbance. The objective is to develop new optical equipment for measure the emittance of this solar absorber at elevated temperature. In this paper, we present an optical bench developed for emittance measurement on absorbers is conditions of use. Results will be shown, with a discussion of some factors of influence over this measurement and how to control them.

Directing-Group-mediated C-H-Alkynylations.

Science.gov (United States)

Caspers, Lucien D; Nachtsheim, Boris J

2018-05-18

C-C triple bonds are amongst the most versatile functional groups in synthetic chemistry. Complementary to the Sonogashira coupling the direct metal-catalyzed alkynylation of C-H bonds has emerged as a highly promising approach in recent years. To guarantee a high regioselectivity suitable directing groups (DGs) are necessary to guide the transition metal (TM) into the right place. In this Focus Review we present the current developments in DG-mediated C(sp 2 )-H and C(sp 3 )-H modifications with terminal alkynes under oxidative conditions and with electrophilic alkynylation reagents. We will discuss further modifications of the alkyne, in particular subsequent cyclizations to carbo- and heterocycles and modifications of the DG in the presence of the alkyne. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermal stability of nanocomposite CrC/a-C:H thin films

International Nuclear Information System (INIS)

Gassner, G.; Mayrhofer, P.H.; Patscheider, J.; Mitterer, C.

2007-01-01

The thermal stability of low-friction Me-C/a-C:H coatings is important for their potential applications in the tool and automotive industry. Recently we showed that CrC x /a-C:H coatings prepared by unbalanced magnetron sputtering of a Cr target in Ar + CH 4 glow discharges exhibit a nanocomposite structure where metastable fcc CrC nanocrystals are encapsulated by an a-C:H phase. Here, we present the structural evolution of these nanocomposite CrC/a-C:H coatings during annealing. High-temperature X-ray diffraction in vacuum and differential scanning calorimetry (DSC) combined with thermo-gravimetric analysis in Ar atmosphere indicate decomposition of the formed metastable fcc CrC phase and subsequent formation of Cr 3 C 2 and Cr 7 C 3 and structural transformation of the a-C:H matrix phase towards higher sp 2 bonding contents at temperatures above 450 deg. C. Combined DSC and mass spectrometer analysis as well as elemental profiling after annealing in vacuum by elastic recoil detection analysis relate this transformation to the loss of bonded hydrogen at temperatures above 200 deg. C. Due to these structural changes the coefficient of friction depends on the annealing temperature of the nanocomposite a-C:H coatings and shows a minimum of ∼ 0.13 for T = 200 deg. C. The more complex tribochemical reactions, influenced by the hydrogen loss from the coating during in-situ high temperatures ball-on disc tests, result in coefficient of friction values below 0.05 for T < 120 deg. C

Nido-Carborane building-block reagents. 2. Bulky-substituent (alkyl)2C2B4H6 derivatives and (C6H5)2C2B4H6: synthesis and properties

International Nuclear Information System (INIS)

Boyter, H.A. Jr.; Grimes, R.N.

1988-01-01

The preparation and chemistry of nido-2,3-R 2 C 2 C 2 B 4 H 6 carboranes in which R is n-butyl, isopentyl, n-hexyl, and phenyl was investigated in order to further assess the steric and electronic influence of the R groups on the properties of the nido-C 2 B 4 cage, especially with respect to metal complexation at the C 2 B 3 face and metal-promoted oxidative fusion. The three dialkyl derivatives were prepared from the corresponding dialkylacetylenes via reaction with B 5 H 9 and triethylamine, but the diphenyl compound could not be prepared in this manner and was obtained instead in a thermal reaction of B 5 H 9 with diphenylacetylene in the absence of amine. All four carboranes are readily bridge-deprotonated by NaH in THF, and the anions of the dialkyl species, on treatment with FeCl 2 and air oxidation, generate the respective R 4 C 4 B 8 H 8 carborane fusion products were R = n-C 4 H 9 , i-C 5 H 11 or n-C 6 H 13 . The diphenylcarborane anion Ph 2 C 2 B 4 H 5 - did not form detectable metal complexes with Fe 2+ , Co 2+ , or Ni 2+ , and no evidence of a Ph 4 C 4 B 8 H 8 fusion product has been found. Treatment of Ph 2 C 2 B 4 H 6 with Cr(CO) 6 did not lead to metal coordination of the phenyl rings, unlike (PhCH 2 ) 2 C 2 B 4 H 6 , which had previously been shown to form mono- and bis(tricarbonylchromium) complexes. However, the reaction of Ph 2 C 2 B 4 H 5 - , CoCl 2 , and (PhPCH 2 ) 2 did give 1,1-(Ph 2 PCH 2 ) 2 -1-Cl-1,2,3-Co(Ph 2 C 2 B 4 H 4 ), the only case in which metal complexation of the diphenylcarborane was observed. 14 references, 3 figures, 3 tables

Superlattice photonic crystal as broadband solar absorber for high temperature operation.

Science.gov (United States)

Rinnerbauer, Veronika; Shen, Yichen; Joannopoulos, John D; Soljačić, Marin; Schäffler, Friedrich; Celanovic, Ivan

2014-12-15

A high performance solar absorber using a 2D tantalum superlattice photonic crystal (PhC) is proposed and its design is optimized for high-temperature energy conversion. In contrast to the simple lattice PhC, which is limited by diffraction in the short wavelength range, the superlattice PhC achieves solar absorption over broadband spectral range due to the contribution from two superposed lattices with different cavity radii. The superlattice PhC geometry is tailored to achieve maximum thermal transfer efficiency for a low concentration system of 250 suns at 1500 K reaching 85.0% solar absorptivity. In the high concentration case of 1000 suns, the superlattice PhC absorber achieves a solar absorptivity of 96.2% and a thermal transfer efficiency of 82.9% at 1500 K, amounting to an improvement of 10% and 5%, respectively, versus the simple square lattice PhC absorber. In addition, the performance of the superlattice PhC absorber is studied in a solar thermophotovoltaic system which is optimized to minimize absorber re-emission by reducing the absorber-to-emitter area ratio and using a highly reflective silver aperture.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-05-15

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

Measurement of the C / H ratio using neutrons; Mesure du rapport C / H au moyen des neutrons

Energy Technology Data Exchange (ETDEWEB)

Martinelli, P [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires; Ricci, H [Universite de Lima (Peru)

1960-07-01

A probe made up of a Ra ({alpha}, n) Be neutron source and a proportional counter filled with boron trifluoride has been used to measure the C/H ratio in hydrocarbons. The intensity of the thermal neutron flux in the neighbourhood of the detector increases with the concentration of the hydrocarbon hydrogen surrounding it. By measuring the density it is possible to deduce the C/H ratio. It is thus possible to evaluate the C/H ratio with a precision equal to that given by the {beta}-ray transmission method. The errors arising from the chemical nature of the hydrocarbon can be reduced to a minimum. This method has the advantage of allowing the measurement of the C/H ratio of hydrocarbons contained in recipients or thick steel tubing by means an independent portable apparatus. (author) [French] Une sonde constituee d'une source de neutrons Ra ({alpha}, n) Be et d'un compteur proportionnel a remplissage de trifluorure de bore a ete utilisee pour mesurer le rapport C/H dans les hydrocarbures. Le flux des neutrons thermiques au voisinage du detecteur est d'autant plus intense que la concentration en hydrogene de l'hydrocarbure qui entoure la sonde est plus elevee. Une mesure de densite permet d'en deduire le rapport C/H. On peut ainsi evaluer le rapport C/H avec une precision aussi bonne que celle que l'on obtient par transmission de rayons {beta}. Les erreurs provenant de la nature chimique de l'hydrocarbure peuvent etre minimisees. Cette methode presente l'avantage de permettre la mesure du rapport C/H d'hydrocarbures contenus dans des recipients ou des canalisations epaisses en acier a l'aide d'un appareil exterieur transportable. (auteur)

Spectroscopic determination of pH

International Nuclear Information System (INIS)

Faanu, A.; Glover, E.T.; Bailey, E.; Rochelle, C.

2009-01-01

A technique of measuring pH at temperature range of 20 - 70 0 C and high pressure conditions of 1 - 200 atmospheres has been developed by relating the ratio of absorbance peaks of indicator solutions (basic and acidic) as a function of pH, using ultraviolet-visible spectrophotometer. The pH values of the buffer solutions measured at 20 0 C and 70 0 C indicated slight temperature dependence, while the pressure had no effect. The pH of the buffer solutions increased with temperature with relative standard deviations in the range 0.4 - 0.5 % at 95 % confidence interval. The possible causes of the temperature dependence were attributed to changes in pH values as the temperature changed. (au)

4H-SiC gate turn-off (GTO) thyristor development

Energy Technology Data Exchange (ETDEWEB)

Casady, J.B.; Agarwal, A.K.; Rowland, L.B.; Siergiej, R.R.; Seshadri, S.; Mani, S.; Sanger, P.A.; Brandt, C.D. [Northrop Grumman Sci. and Technol. Center, Pittsburgh, PA (United States); Barrows, J.; Piccone, D. [Silicon Power Corp., Malvern, PA (United States)

1998-08-01

4H-SiC inverted, asymmetrical gate turn-off thyristors (GTOs) were fabricated and characterized over an ambient temperature range of 25 C to 390 C. Device performance was evaluated with respect to forward drop, current density, and blocking voltage. At room temperature, forward blocking voltages of up to 1000 V were achieved in smaller area devices (6.5 x 10{sup -4} cm{sup 2} active area) while larger area devices (3.63 x 10{sup -3} cm{sup 2} active area) could block up to 700 V. Reverse blocking was approximately 50 V for these asymmetrical devices. Current densities were evaluated up to 3500 A/cm{sup 2}, with the forward voltage drop strongly affected by temperature and anode contact resistance. (orig.) 11 refs.

Strong charge state dependence of H+ and H2+ sputtering induced by slow highly charged ions

International Nuclear Information System (INIS)

Kakutani, N.; Azuma, T.; Yamazaki, Y.; Komaki, K.; Kuroki, K.

1995-01-01

Secondary ion emission has been studied for very slow ( similar 0.01ν B ) highly charged Ar and N ions bombarding C 60 containing hydrogen as an impurity. It is found that the fragmentations of C 60 are very rare even for Ar 16+ bombardments. On the other hand, the sputtering of H + and H 2 + has been observed to increase drastically as a function of incident charge q like q γ (e.g., γ similar 4.6 for H + sputtering by 500 eV Ar q+ ). (orig.)

Fast Homoepitaxial Growth of 4H-SiC Films on 4° off-Axis Substrates in a SiH4-C2H4-H2 System

International Nuclear Information System (INIS)

Liu Bin; Sun Guo-Sheng; Liu Xing-Fang; Zhang Feng; Dong Lin; Zheng Liu; Yan Guo-Guo; Liu Sheng-Bei; Zhao Wan-Shun; Wang Lei; Zeng Yi-Ping; Wang Zhan-Guo; Li Xi-Guang; Yang Fei

2013-01-01

Homoepitaxial growth of 4H-SiC epilayers is conducted in a SiH 4 -C 2 H 4 -H 2 system by low pressure hot-wall vertical chemical vapor deposition (CVD). Thick epilayers of 45 μm are achieved at a high growth rate up to 26 μm/h under an optimized growth condition, and are characterized by using a Normaski optical microscope, a scanning electronic microscope (SEM), an atomic force microscope (AFM) and an x-ray diffractometer (XRD), indicating good crystalline quality with mirror-like smooth surfaces and an rms roughness of 0.9 nm in a 5 μm × 5μm area. The dependence of the 4H-SiC growth rate on growth conditions on 4° off-axis 4H-SiC substrates and its mechanism are investigated. It is found that the H 2 flow rate could influence the surface roughness, while good surface morphologies without Si droplets and epitaxial defects such as triangular defects could be obtained by increasing temperature

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

Energy Technology Data Exchange (ETDEWEB)

Colby, Denise; Bergman, Robert; Ellman, Jonathan

2010-05-13

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

A Structural Basis for the pH-Dependent Xanthophyll Cycle in Arabidopsis thaliana[C][W

Science.gov (United States)

Arnoux, Pascal; Morosinotto, Tomas; Saga, Giorgia; Bassi, Roberto; Pignol, David

2009-01-01

Plants adjust their photosynthetic activity to changing light conditions. A central regulation of photosynthesis depends on the xanthophyll cycle, in which the carotenoid violaxanthin is converted into zeaxanthin in strong light, thus activating the dissipation of the excess absorbed energy as heat and the scavenging of reactive oxygen species. Violaxanthin deepoxidase (VDE), the enzyme responsible for zeaxanthin synthesis, is activated by the acidification of the thylakoid lumen when photosynthetic electron transport exceeds the capacity of assimilatory reactions: at neutral pH, VDE is a soluble and inactive enzyme, whereas at acidic pH, it attaches to the thylakoid membrane where it binds its violaxanthin substrate. VDE also uses ascorbate as a cosubstrate with a pH-dependent Km that may reflect a preference for ascorbic acid. We determined the structures of the central lipocalin domain of VDE (VDEcd) at acidic and neutral pH. At neutral pH, VDEcd is monomeric with its active site occluded within a lipocalin barrel. Upon acidification, the barrel opens up and the enzyme appears as a dimer. A channel linking the two active sites of the dimer can harbor the entire carotenoid substrate and thus may permit the parallel deepoxidation of the two violaxanthin β-ionone rings, making VDE an elegant example of the adaptation of an asymmetric enzyme to its symmetric substrate. PMID:19638474

High-Temperature Tolerance in Multi-Scale Cermet Solar-Selective Absorbing Coatings Prepared by Laser Cladding.

Science.gov (United States)

Pang, Xuming; Wei, Qian; Zhou, Jianxin; Ma, Huiyang

2018-06-19

In order to achieve cermet-based solar absorber coatings with long-term thermal stability at high temperatures, a novel single-layer, multi-scale TiC-Ni/Mo cermet coating was first prepared using laser cladding technology in atmosphere. The results show that the optical properties of the cermet coatings using laser cladding were much better than the preplaced coating. In addition, the thermal stability of the optical properties for the laser cladding coating were excellent after annealing at 650 °C for 200 h. The solar absorptance and thermal emittance of multi-scale cermet coating were 85% and 4.7% at 650 °C. The results show that multi-scale cermet materials are more suitable for solar-selective absorbing coating. In addition, laser cladding is a new technology that can be used for the preparation of spectrally-selective coatings.

High-Temperature Tolerance in Multi-Scale Cermet Solar-Selective Absorbing Coatings Prepared by Laser Cladding

Directory of Open Access Journals (Sweden)

Xuming Pang

2018-06-01

Full Text Available In order to achieve cermet-based solar absorber coatings with long-term thermal stability at high temperatures, a novel single-layer, multi-scale TiC-Ni/Mo cermet coating was first prepared using laser cladding technology in atmosphere. The results show that the optical properties of the cermet coatings using laser cladding were much better than the preplaced coating. In addition, the thermal stability of the optical properties for the laser cladding coating were excellent after annealing at 650 °C for 200 h. The solar absorptance and thermal emittance of multi-scale cermet coating were 85% and 4.7% at 650 °C. The results show that multi-scale cermet materials are more suitable for solar-selective absorbing coating. In addition, laser cladding is a new technology that can be used for the preparation of spectrally-selective coatings.

Uptake of pH-Sensitive Gold Nanoparticles in Strong Polyelectrolyte Brushes

Directory of Open Access Journals (Sweden)

Dikran Kesal

2016-04-01

Full Text Available The impact of electrostatic attraction on the uptake of gold nanoparticles (AuNPs into positively charged strong poly-[2-(Methacryloyloxy ethyl] trimethylammonium chloride (PMETAC polyelectrolyte brushes was investigated. In this work, PMETAC brushes were synthesized via surface-initiated atom transfer radical polymerization (Si-ATRP. PMETAC/AuNP composite materials were prepared by incubation of the polymer brush coated samples into 3-mercaptopropionic acid-capped AuNP (5 nm in diameter suspension. The electrostatic interactions were tuned by changing the surface charge of the AuNPs through variations in pH value, while the charge of the PMETAC brush was not affected. Atomic-force microscopy (AFM, ellipsometry, UV/Vis spectroscopy, gravimetric analysis and transmission electron microscopy (TEM were employed to study the loading and penetration into the polymer brush. The results show that the number density of attached AuNPs depends on the pH value and increases with increasing pH value. There is also strong evidence that the particle assembly is dependent on the pH value of the AuNP suspension. Incubation of PMETAC brushes in AuNP suspension at pH 4 led to the formation of a surface layer on top of the brush (2D assembly due to sterical hindrance of the clustered AuNPs, while incubation in AuNP suspension at pH 8 led to deeper particle penetration into the brush (3D assembly. The straightforward control of particle uptake and assembly by tuning the charge density of the nanoparticle surface is a valuable tool for the development of materials for colorimetric sensor applications.

Recent Developments in C-H Activation for Materials Science in the Center for Selective C-H Activation.

Science.gov (United States)

Zhang, Junxiang; Kang, Lauren J; Parker, Timothy C; Blakey, Simon B; Luscombe, Christine K; Marder, Seth R

2018-04-16

Abstract : Organic electronics is a rapidly growing field driven in large part by the synthesis of ∏-conjugated molecules and polymers. Traditional aryl cross-coupling reactions such as the Stille and Suzuki have been used extensively in the synthesis of ∏-conjugated molecules and polymers, but the synthesis of intermediates necessary for traditional cross-couplings can include multiple steps with toxic and hazardous reagents. Direct arylation through C-H bond activation has the potential to reduce the number of steps and hazards while being more atom-economical. Within the Center for Selective C-H Functionalization (CCHF), we have been developing C-H activation methodology for the synthesis of ∏-conjugated materials of interest, including direct arylation of difficult-to-functionalize electron acceptor intermediates and living polymerization of ∏-conjugated polymers through C-H activation.

Observation of charge-exchange spectra on C6+ +H in low-energy collision

International Nuclear Information System (INIS)

Kobuchi, Takashi; Sato, Kuninori; Goto, Motoshi; Ohyabu, Nobuyoshi; Kawahata, Kazuo; Sudo, Shigeru; Motojima, Osamu

2003-01-01

The extreme ultraviolet spectra of C VI have been studied for a Neutral Beam Injection (NBI) plasmas in Large Helical Device (LHD). A strong distortion in the population distribution over the excited levels was observed and we conclude that is caused by charge-exchange recombining (CXR) processes between C 6+ ion and recycling neutral hydrogen. Spatially resolved measurements show that the C 6+ -H CXR processes take place in the plasma peripheral region in LHD. We have taken a CXR part of C VI 1s-4p line using the result of a calculation code. (author)

An estimation of applicable thermodynamic data for C-S-H gel to PHREEQC

International Nuclear Information System (INIS)

Kato, Hiroshige; Honda, Akira

2004-07-01

Cementitious materials will be used extensively in the TRU waste repository. The dissolution/precipitation of cementitious materials will affect the chemical condition of pore waster of TRU waste repository. Thus, it is important for estimation of chemical condition of pore water to apply the dissolution/precipitation of cementitious materials appropriately. A C-S-H gel (poorly crystallized calcium silicate hydrate) is a major component in cementitious materials which determined the mechanical characteristics of cementitious materials. The hydraulic condition of cementitious materials is strongly affected by the dissolution/precipitation of C-S-H gel due to the change of porosity accompanied with the dissolution/precipitation processes. Further, the chemical condition of pore water will be dominated by the dissolution/ precipitation of C-S-H gel for a long period. Therefore, an importance of the dissolution/precipitation of C-S-H gel has been recognized internationally, and several dissolution/precipitation models of C-S-H gel have been proposed. The principal scopes of the C-S-H gel models are description of an incongruent dissolution/precipitation behavior of C-S-H gel. On the other hand, PHREEQC is a compute program, which has been used generally for the geochemical calculation. PHREEQC can provide the state of chemical equilibrium of system defined by chemical equations and equilibrium constants (log K). In JNC, reference model groundwater determined by calculation using PHREEQC in HLW study will be also used in TRU waste study. In addition, PHREEQC will be used for calculation of the cement-water reaction. Therefore, applicability of the presented dissolution/precipitation models of C-S-H gel to PHREEQC was estimated. As a result of estimation of the applicability, Atkinson model and Reardon model were selected as suitable models to the PHREEQC. The chemical equations and log K values of C-S-H gel were derived from these models and tested using PHREEQC. The

Explicit analytical modeling of the low frequency a-Si:H/c-Si heterojunction capacitance: Analysis and application to silicon heterojunction solar cells

Energy Technology Data Exchange (ETDEWEB)

Maslova, O. [Keldysh Institute of Applied Mathematics, Russian Academy of Sciences, Miusskaya sq., 4, Moscow 125047 (Russian Federation); GeePs (Group of electrical engineering of Paris), CNRS UMR 8507, CentraleSupélec, Univ Paris-Sud, Sorbonne Universités-UPMC Univ Paris 06, 11 rue Joliot-Curie, Plateau de Moulon, F-91192 Gif-sur-Yvette Cedex (France); Brézard-Oudot, A.; Gueunier-Farret, M.-E.; Alvarez, J.; Kleider, J.-P. [GeePs (Group of electrical engineering of Paris), CNRS UMR 8507, CentraleSupélec, Univ Paris-Sud, Sorbonne Universités-UPMC Univ Paris 06, 11 rue Joliot-Curie, Plateau de Moulon, F-91192 Gif-sur-Yvette Cedex (France)

2015-09-21

We develop a fully analytical model in order to describe the temperature dependence of the low frequency capacitance of heterojunctions between hydrogenated amorphous silicon (a-Si:H) and crystalline silicon (c-Si). We demonstrate that the slope of the capacitance-temperature (C-T) curve is strongly enhanced if the c-Si surface is under strong inversion conditions compared to the usually assumed depletion layer capacitance. We have extended our analytical model to integrate a very thin undoped (i) a-Si:H layer at the interface and the finite thickness of the doped a-Si:H layer that are used in high efficiency solar cells for the passivation of interface defects and to limit short circuit current losses. Finally, using our calculations, we analyze experimental data on high efficiency silicon heterojunction solar cells. The transition from the strong inversion limited behavior to the depletion layer behavior is discussed in terms of band offsets, density of states in a-Si:H, and work function of the indium tin oxide (ITO) front electrode. In particular, it is evidenced that strong inversion conditions prevail at the c-Si surface at high temperatures down to 250 K, which can only be reproduced if the ITO work function is larger than 4.7 eV.

Hydrogenation and Deuteration of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} on Cold Grains: A Clue to the Formation Mechanism of C{sub 2}H{sub 6} with Astronomical Interest

Energy Technology Data Exchange (ETDEWEB)

Kobayashi, Hitomi; Kawakita, Hideyo [Koyama Astronomical Observatory, Kyoto Sangyo University Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan); Hidaka, Hiroshi; Hama, Tetsuya; Watanabe, Naoki [Institute of Low Temperature Science, Hokkaido University N19-W8, Kita-ku, Sapporo, Hokkaido 060-0819 (Japan); Lamberts, Thanja; Kästner, Johannes, E-mail: h_kobayashi@kyoto-nijikoubou.com [Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart (Germany)

2017-03-10

We quantitatively investigated the hydrogen addition reactions of acetylene (C{sub 2}H{sub 2}) and ethylene (C{sub 2}H{sub 4}) on amorphous solid water (ASW) at 10 and 20 K relevant to the formation of ethane (C{sub 2}H{sub 6}) on interstellar icy grains. We found that the ASW surface enhances the reaction rates for C{sub 2}H{sub 2} and C{sub 2}H{sub 4} by approximately a factor of 2 compared to those on the pure-solid C{sub 2}H{sub 2} and C{sub 2}H{sub 4} at 10 K, probably due to an increase in the sticking coefficient and adsorption energy of the H atoms on ASW. In contrast to the previous proposal that the hydrogenation rate of C{sub 2}H{sub 4} is orders of magnitude larger than that of C{sub 2}H{sub 2}, the present results show that the difference in hydrogenation rates of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} is only within a factor of 3 on both the surfaces of pure solids and ASW. In addition, we found the small kinetic isotope effect for hydrogenation/deuteration of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} at 10 K, despite the requirement of quantum tunneling. At 20 K, the reaction rate of deuteration becomes even larger than that of hydrogenation. These unusual isotope effects might originate from a slightly larger number density of D atoms than H atoms on ASW at 20 K. The hydrogenation of C{sub 2}H{sub 2} is four times faster than CO hydrogenation and can produce C{sub 2}H{sub 6} efficiently through C{sub 2}H{sub 4} even in the environment of a dark molecular cloud.

The Properties of Quasar 2175 Å Dust Absorbers at z = 1.0-2.5

Science.gov (United States)

Ma, Jingzhe; Ge, Jian; Prochaska, Jason; Zhao, Yinan; Zhang, Shaohua; Ji, Tuo; Lundgren, Britt; Zhou, Hongyan; Lu, Honglin; Schneider, Donald

2018-01-01

Quasar 2175 Å dust absorbers (2DAs) are a population of quasar absorption line systems identified by the broad absorption feature centered around rest-frame 2175 Å, which is ubiquitously seen in the Milky Way extinction curves. These absorbers are excellent tracers of gas and dust properties, metal abundances, chemical evolution, physical conditions, as well as kinematics in the absorbing galaxies. We present the metallicity, depletion pattern, kinematics, and the cold neutral content (HI and CI gas) of a sample of 2DAs at z = 1.0-2.5 that were initially selected from the Sloan Digital Sky Survey and followed up with Keck and MMT spectrographs. We perform a correlation analysis between metallicity, redshift, depletion level, velocity width, and explore relationships between 2DAs and other absorption line systems. The 2DAs on average have higher metallicity, higher depletion levels, and larger velocity widths than Damped Lyman-α absorbers (DLAs) or subDLAs. The correlation between [Zn/H] and [Fe/Zn] or [Zn/H] and logΔV90 can be used as alternative stellar mass estimators based on the well-established mass-metallicity relation. The relationship with other quasar absorption line systems can be described as (1) 2DAs are a subset of Mg II and Fe II absorbers, (2) 2DAs are preferentially metal-strong DLAs/subDLAs, (3) More importantly, all of the 2DAs show CI detections with N(CI) > 14.0 cm-2, (4) 2DAs can be used as molecular gas tracers. Their host galaxies are likely to be chemically enriched, evolved, and massive galaxies (more massive than typical DLA/subDLA galaxies). In addition, we have, for the first time, identified the host galaxy of a 2DA beyond the local Universe using HST IR direct imaging and grism spectroscopy.

Densities, viscosities, and refractive indexes for {C2H5CO2(CH2)2CH3+C6H13OH+C6H6} at T=308.15 K

International Nuclear Information System (INIS)

Casas, Herminio; Garcia-Garabal, Sandra; Segade, Luisa; Cabeza, Oscar.; Franjo, Carlos; Jimenez, Eulogio

2003-01-01

In this work we present densities, kinematic viscosities, and refractive indexes of the ternary system {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 13 OH+C 6 H 6 } and the corresponding binary mixtures {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 6 }, {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 13 OH}, and {C 6 H 13 OH+C 6 H 6 }. All data have been measured at T=308.15 K and atmospheric pressure over the whole composition range. The excess molar volumes, dynamic viscosity deviations, and changes of the refractive index on mixing were calculated from experimental measurements. The results for binary mixtures were fitted to a polynomial relationship to estimate the coefficients and standard deviations. The Cibulka equation has been used to correlate the experimental values of ternary mixtures. Also, the experimental values obtained for the ternary mixture were used to test the empirical methods of Kohler, Jacob and Fitzner, Colinet, Tsao and Smith, Toop, Scatchard et al., and Hillert. These methods predict excess properties of the ternary mixtures from those of the involved binary mixtures. The results obtained for dynamic viscosities of the binary mixtures were used to test the semi-empirical relations of Grunberg-Nissan, McAllister, Auslaender, and Teja-Rice. Finally, the experimental refractive indexes were compared with the predicted results for the Lorentz-Lorenz, Gladstone-Dale, Wiener, Heller, and Arago-Biot equations. In all cases, we give the standard deviation between the experimental data and that calculated with the above named relations

Streamer free operation of a 2 mm gap resistive plate chamber with $C_{2}F_{5}H$

CERN Document Server

Cerron-Zeballos, E; Hatzifotiadou, D; Lamas-Valverde, J; Williams, M C S; Zichichi, A

1999-01-01

It is necessary to operate the resistive plate chamber (RPC) in avalanche mode to obtain high efficiency at elevated particle fluxes. We examine this mode of operation with a 2 mm gap RPC using gas mixtures containing C/sub 2/F/sub 4/H/sub 2/ and C/sub 2/F/sub 5/H. In order to explain the data we propose that the avalanche growth is strongly limited by space charge effects. (10 refs).

Reactive carbon-chain molecules: synthesis of 1-diazo-2,4-pentadiyne and spectroscopic characterization of triplet pentadiynylidene (H-C[triple bond]C-:C-C[triple bond]C-H).

Science.gov (United States)

Bowling, Nathan P; Halter, Robert J; Hodges, Jonathan A; Seburg, Randal A; Thomas, Phillip S; Simmons, Christopher S; Stanton, John F; McMahon, Robert J

2006-03-15

1-Diazo-2,4-pentadiyne (6a), along with both monodeuterio isotopomers 6b and 6c, has been synthesized via a route that proceeds through diacetylene, 2,4-pentadiynal, and 2,4-pentadiynal tosylhydrazone. Photolysis of diazo compounds 6a-c (lambda > 444 nm; Ar or N2, 10 K) generates triplet carbenes HC5H (1) and HC5D (1-d), which have been characterized by IR, EPR, and UV/vis spectroscopy. Although many resonance structures contribute to the resonance hybrid for this highly unsaturated carbon-chain molecule, experiment and theory reveal that the structure is best depicted in terms of the dominant resonance contributor of penta-1,4-diyn-3-ylidene (diethynylcarbene, H-C[triple bond]C-:C-C[triple bond]C-H). Theory predicts an axially symmetric (D(infinity h)) structure and a triplet electronic ground state for 1 (CCSD(T)/ANO). Experimental IR frequencies and isotope shifts are in good agreement with computed values. The triplet EPR spectrum of 1 (absolute value(D/hc) = 0.6157 cm(-1), absolute value(E/hc) = 0.0006 cm(-1)) is consistent with an axially symmetric structure, and the Curie law behavior confirms that the triplet state is the ground state. The electronic absorption spectrum of 1 exhibits a weak transition near 400 nm with extensive vibronic coupling. Chemical trapping of triplet HC5H (1) in an O2-doped matrix affords the carbonyl oxide 16 derived exclusively from attack at the central carbon.

Catalytic alkylation of remote C-H bonds enabled by proton-coupled electron transfer.

Science.gov (United States)

Choi, Gilbert J; Zhu, Qilei; Miller, David C; Gu, Carol J; Knowles, Robert R

2016-11-10

Despite advances in hydrogen atom transfer (HAT) catalysis, there are currently no molecular HAT catalysts that are capable of homolysing the strong nitrogen-hydrogen (N-H) bonds of N-alkyl amides. The motivation to develop amide homolysis protocols stems from the utility of the resultant amidyl radicals, which are involved in various synthetically useful transformations, including olefin amination and directed carbon-hydrogen (C-H) bond functionalization. In the latter process-a subset of the classical Hofmann-Löffler-Freytag reaction-amidyl radicals remove hydrogen atoms from unactivated aliphatic C-H bonds. Although powerful, these transformations typically require oxidative N-prefunctionalization of the amide starting materials to achieve efficient amidyl generation. Moreover, because these N-activating groups are often incorporated into the final products, these methods are generally not amenable to the direct construction of carbon-carbon (C-C) bonds. Here we report an approach that overcomes these limitations by homolysing the N-H bonds of N-alkyl amides via proton-coupled electron transfer. In this protocol, an excited-state iridium photocatalyst and a weak phosphate base cooperatively serve to remove both a proton and an electron from an amide substrate in a concerted elementary step. The resultant amidyl radical intermediates are shown to promote subsequent C-H abstraction and radical alkylation steps. This C-H alkylation represents a catalytic variant of the Hofmann-Löffler-Freytag reaction, using simple, unfunctionalized amides to direct the formation of new C-C bonds. Given the prevalence of amides in pharmaceuticals and natural products, we anticipate that this method will simplify the synthesis and structural elaboration of amine-containing targets. Moreover, this study demonstrates that concerted proton-coupled electron transfer can enable homolytic activation of common organic functional groups that are energetically inaccessible using

Robustness up to 400°C of the passivation of c-Si by p-type a-Si:H thanks to ion implantation

Science.gov (United States)

Defresne, A.; Plantevin, O.; Roca i Cabarrocas, Pere

2016-12-01

Heterojunction solar cells based on crystalline silicon (c-Si) passivated by hydrogenated amorphous silicon (a-Si:H) thin films are one of the most promising architectures for high energy conversion efficiency. Indeed, a-Si:H thin films can passivate both p-type and n-type wafers and can be deposited at low temperature (layers, in particular p-type a-Si:H, show a dramatic degradation in passivation quality above 200°C. Yet, annealing at 300 - 400°C the TCO layer and metallic contacts is highly desirable to reduce the contact resistance as well as the TCO optical absorption. In this work, we show that as expected, ion implantation (5 - 30 keV) introduces defects at the c-Si/a-Si:H interface which strongly degrade the effective lifetime, down to a few micro-seconds. However, the passivation quality can be restored and lifetime values can be improved up to 2 ms over the initial value with annealing. We show here that effective lifetimes above 1 ms can be maintained up to 380°C, opening up the possibility for higher process temperatures in silicon heterojunction device fabrication.

A route to strong p-doping of epitaxial graphene on SiC

KAUST Repository

Cheng, Yingchun

2010-11-09

The effects of Au intercalation on the electronic properties of epitaxialgraphenegrown on SiC{0001} substrates are studied using first principles calculations. A graphenemonolayer on SiC{0001} restores the shape of the pristine graphene dispersion, where doping levels between strongly n-doped and weakly p-doped can be achieved by altering the Au coverage. We predict that Au intercalation between the two C layers of bilayer graphenegrown on SiC{0001} makes it possible to achieve a strongly p-doped graphene state, where the p-doping level can be controlled by means of the Au coverage.

The measurement of the indoor absorbed dose rate in air in Beijing

International Nuclear Information System (INIS)

Guo Mingqiang; Pan Ziqiang; Yi Nanchang; Wei Zemin; Zhang Chao; Wang Huamin; Zhu Wencai

1985-01-01

This paper describes the indoor absorbed dose rate in air in Beijing. The average indoor absorbed dose rate in air is 8.29 μrad/h. The ratio of indoor to outdoor absorbed dose rate for 849 buildings is 1.51

Rietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-H

KAUST Repository

Battocchio, Francesco

2012-11-01

Low-Q region Rietveld analyses were performed on C-S-H synchrotron XRD patterns, using the software MAUD. Two different crystal structures of tobermorite 11 Å were used as a starting model: monoclinic ordered Merlino tobermorite, and orthorhombic disordered Hamid tobermorite. Structural modifications were required to adapt the structures to the chemical composition and the different interlayer spacing of the C-S-H samples. Refinement of atomic positions was done by using special constraints called fragments that maintain interatomic distances and orientations within atomic polyhedra. Anisotropic crystallite size refinement showed that C-S-H has a nanocrystalline disordered structure with a preferred direction of elongation of the nanocrystallites in the plane of the Ca interlayer. The quality of the fit showed that the monoclinic structure gives a more adequate representation of C-S-H, whereas the disordered orthorhombic structure can be considered a more realistic model if the lack of long-range order of the silica chain along the c-direction is assumed. © 2012 Elsevier Ltd. All rights reserved.

STRONG GRAVITATIONAL LENSING BY THE SUPER-MASSIVE cD GALAXY IN ABELL 3827

International Nuclear Information System (INIS)

Carrasco, E. R.; Gomez, P. L.; Lee, H.; Diaz, R.; Bergmann, M.; Turner, J. E. H.; Miller, B. W.; West, M. J.; Verdugo, T.

2010-01-01

We have discovered strong gravitational lensing features in the core of the nearby cluster Abell 3827 by analyzing Gemini South GMOS images. The most prominent strong lensing feature is a highly magnified, ring-shaped configuration of four images around the central cD galaxy. GMOS spectroscopic analysis puts this source at z ∼ 0.2. Located ∼20'' away from the central galaxy is a secondary tangential arc feature which has been identified as a background galaxy with z ∼ 0.4. We have modeled the gravitational potential of the cluster core, taking into account the mass from the cluster, the brightest cluster galaxy (BCG), and other galaxies. We derive a total mass of (2.7 ± 0.4) x 10 13 M sun within 37 h -1 kpc. This mass is an order of magnitude larger than that derived from X-ray observations. The total mass derived from lensing data suggests that the BCG in this cluster is perhaps the most massive galaxy in the nearby universe.

Secure data storage by three-dimensional absorbers in highly scattering volume medium

International Nuclear Information System (INIS)

Matoba, Osamu; Matsuki, Shinichiro; Nitta, Kouichi

2008-01-01

A novel data storage in a volume medium with highly scattering coefficient is proposed for data security application. Three-dimensional absorbers are used as data. These absorbers can not be measured by interferometer when the scattering in a volume medium is strong enough. We present a method to reconstruct three-dimensional absorbers and present numerical results to show the effectiveness of the proposed data storage.

Self-irradiation damage in 4H-SiC by molecular dynamics simulation

International Nuclear Information System (INIS)

Han Miaomiao; Wang Qingyu; Li Taosheng; Li Zhongyu

2014-01-01

The development of nuclear technology is closely and inseparably related to the improvements of materials irradiation performance. The irradiation damage of nuclear materials is an important issue of characteristics and difficulties. Because of the excellent features, SiC becomes one of the candidate materials for the cladding material and structure material in fast neutron reactor and fusion reactor. As one of the polytypes, 4H-SiC has prospective important applications in a strong irradiation environment. In this work, molecular dynamics (MD) simulation was performed to study the irradiation-induced cascade damage in single-crystalline 4H-SiC to get the microscopic evolution during the irradiation, in the aim of getting access to the detail that we cannot get from experiments. The software LAMMPS was used to simulate the damage formation process and the recovery process. The results showed that the initial project direction, the temperature and PKA energy exerted significant effects on the number and morphology of defects. (authors)

CLEO-c and CESR-c: A new frontier in strong and weak interactions

Science.gov (United States)

Richichi, Stephen J.

2003-06-01

We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: "CESR-c and OLEO-c". Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model.

CLEO-c and CESR-c: A new frontier in strong and weak interactions

International Nuclear Information System (INIS)

Richichi, Stephen J.

2003-01-01

We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: ''CESR-c and OLEO-c''. Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model

Burnable neutron absorbers

International Nuclear Information System (INIS)

Radford, K.C.; Carlson, W.G.

1985-01-01

This patent deals with the fabrication of pellets for neutron absorber rods. Such a pellet includes a matrix of a refractory material which may be aluminum or zirconium oxide, and a burnable poison distributed throughout the matrix. The neutron absorber material may consist of one or more elements or compounds of the metals boron, gadolinium, samarium, cadmium, europium, hafnium, dysprosium and indium. The method of fabricating pellets of these materials outlined in this patent is designed to produce pores or voids in the pellets that can be used to take up the expansion of the burnable poison and to absorb the helium gas generated. In the practice of this invention a slurry of Al 2 O 3 is produced. A hard binder is added and the slurry and binder are spray dried. This powder is mixed with dry B 4 C powder, forming a homogeneous mixture. This mixture is pressed into green tubes which are then sintered. During sintering the binder volatilizes leaving a ceramic with nearly spherical high-density regions of

Tunable Robust pacs-MOFs: a Platform for Systematic Enhancement of the C2H2 Uptake and C2H2/C2H4 Separation Performance.

Science.gov (United States)

Chen, Di-Ming; Sun, Chun-Xiao; Zhang, Nan-Nan; Si, Huan-Huan; Liu, Chun-Sen; Du, Miao

2018-03-05

As a modulatable class of porous crystalline materials, metal-organic frameworks (MOFs) have gained intensive research attention in the domain of gas storage and separation. In this study, we report on the synthesis and gas adsorption properties of two robust MOFs with the general formula [Co 3 (μ 3 -OH)(cpt) 3 Co 3 (μ 3 -OH)(L) 3 (H 2 O) 9 ](NO 3 ) 4 (guests) n [L = 3-amino-1,2,4-triazole (1) and 3,5-diamino-1,2,4-triazole (2); Hcpt = 4-(4-carboxyphenyl)-1,2,4-triazole], which show the same pacs topology. Both MOFs are isostructural to each other and show MIL-88-type frameworks whose pore spaces are partitioned by different functionlized trinuclear 1,2,4-triazolate-based clusters. The similar framework components with different amounts of functional groups make them an ideal platform to permit a systematic gas sorption/separation study to evaluate the effects of distinctive parameters on the C 2 H 2 uptake and separation performance. Because of the presence of additional amido groups, the MOF 2 equipped with a datz-based cluster (Hdatz = 3,5-diamino-1,2,4-triazole) shows a much improved C 2 H 2 uptake capacity and separation performance over that of the MOF 1 equipped with atz-based clusters (Hatz = 3-amino-1,2,4-triazole), although the surface area of the MOF 1 is almost twice than that of the MOF 2. Moreover, the high density of open metal sites, abundant free amido groups, and charged framework give the MOF 2 an excellent C 2 H 2 separation performance, with ideal adsorbed solution theory selectivity values reaching up to 11.5 and 13 for C 2 H 2 /C 2 H 4 (1:99) and C 2 H 2 /CO 2 (50:50) at 298 K and 1 bar, showing potential for use in natural gas purification.

The film thickness dependent thermal stability of Al{sub 2}O{sub 3}:Ag thin films as high-temperature solar selective absorbers

Energy Technology Data Exchange (ETDEWEB)

Xiao Xiudi; Xu Gang, E-mail: xiudixiao@163.com; Xiong Bin; Chen Deming; Miao Lei [Chinese Academy of Sciences, Key Laboratory of Renewable Energy and Gas Hydrates, Guangzhou Institute of Energy Conversion (China)

2012-03-15

The monolayer Al{sub 2}O{sub 3}:Ag thin films were prepared by magnetron sputtering. The microstructure and optical properties of thin film after annealing at 700 Degree-Sign C in air were characterized by transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and spectrophotometer. It revealed that the particle shape, size, and distribution across the film were greatly changed before and after annealing. The surface plasmon resonance absorption and thermal stability of the film were found to be strongly dependent on the film thickness, which was believed to be associated with the evolution process of particle diffusion, agglomeration, and evaporation during annealing at high temperature. When the film thickness was smaller than 90 nm, the film SPR absorption can be attenuated until extinct with increasing annealing time due to the evaporation of Ag particles. While the film thickness was larger than 120 nm, the absorption can keep constant even after annealing for 64 h due to the agglomeration of Ag particles. On the base of film thickness results, the multilayer Al{sub 2}O{sub 3}:Ag solar selective thin films were prepared and the thermal stability test illustrated that the solar selectivity of multilayer films with absorbing layer thickness larger than 120 nm did not degrade after annealing at 500 Degree-Sign C for 70 h in air. It can be concluded that film thickness is an important factor to control the thermal stability of Al{sub 2}O{sub 3}:Ag thin films as high-temperature solar selective absorbers.

Scaling of C{sub 60} ionization and fragmentation with the energy deposited in collisions with H{sup +}, H{sub 2}{sup +}, H{sub 3}{sup +} and He{sup +} ions (2-130 keV)

Energy Technology Data Exchange (ETDEWEB)

Bordenave-Montesquieu, D. [LCAR, IRSAMC, UMR 5589 CNRS, Universite Paul Sabatier, Toulouse (France)]. E-mail: dbm@yosemite.ups-tlse.fr; Moretto-Capelle, P.; Bordenave-Montesquieu, A.; Rentenier, A. [LCAR, IRSAMC, UMR 5589 CNRS, Universite Paul Sabatier, Toulouse (France)

2001-03-14

Fragmentation, ionization and C{sub 2} fragment evaporation of the C{sub 60} molecule induced by collisions with H{sup +}, H{sub 2}{sup +}, H{sub 3}{sup +} and He{sup +} monocharged ions have been measured in coincidence with the electron emission in the 2-130 keV projectile energy range. The time-of-flight mass spectra were found to vary strongly with the collision energy or velocity and the projectile. On the other hand, they scale rather nicely with the energy deposited in the molecule. Relative weights of the total multi-fragmentation into small C{sub n}{sup +} fragments (n=1-14), individual multi-fragmentation (n=1,7 and 11), double ionization of the intact molecule and evaporation of C{sub 2} molecules associated with the doubly charged fullerene ion, are used to illustrate our finding quantitatively. (author). Letter-to-the-editor.

Neutron Absorbing Ability Variation in Neutron Absorbing Material Caused by the Neutron Irradiation in Spent Fuel Storage Facility

Energy Technology Data Exchange (ETDEWEB)

Sohn, Hee Dong; Han, Seul Gi; Lee, Sang Dong; Kim, Ki Hong; Ryu, Eag Hyang; Park, Hwa Gyu [Doosan Heavy Industries and Construction, Changwon (Korea, Republic of)

2014-10-15

In spent fuel storage facility like high density spent fuel storage racks and dry storage casks, spent fuels are stored with neutron absorbing materials installed as a part of those facilities, and they are used for absorbing neutrons emitted from spent fuels. Usually structural material with neutron absorbing material of racks and casks are located around spent fuels, so it is irradiated by neutrons for long time. Neutron absorbing ability could be changed by the variation of nuclide composition in neutron absorbing material caused by the irradiation of neutrons. So, neutron absorbing materials are continuously faced with spent fuels with boric acid solution or inert gas environment. Major nuclides in neutron absorbing material are Al{sup 27}, C{sup 12}, B{sup 11}, B{sup 10} and they are changed to numerous other ones as radioactive decay or neutron absorption reaction. The B{sup 10} content in neutron absorbing material dominates the neutron absorbing ability, so, the variation of nuclide composition including the decrease of B{sup 10} content is the critical factor on neutron absorbing ability. In this study, neutron flux in spent fuel, the activation of neutron absorbing material and the variation of nuclide composition are calculated. And, the minimum neutron flux causing the decrease of B{sup 10} content is calculated in spent fuel storage facility. Finally, the variation of neutron multiplication factor is identified according to the one of B{sup 10} content in neutron absorbing material. The minimum neutron flux to impact the neutron absorbing ability is 10{sup 10} order, however, usual neutron flux from spent fuel is 10{sup 8} order. Therefore, even though neutron absorbing material is irradiated for over 40 years, B{sup 10} content is little decreased, so, initial neutron absorbing ability could be kept continuously.

[11C]TASP457, a novel PET ligand for histamine H3 receptors in human brain

International Nuclear Information System (INIS)

Kimura, Yasuyuki; Seki, Chie; Ikoma, Yoko; Ichise, Masanori; Kawamura, Kazunori; Takahata, Keisuke; Moriguchi, Sho; Nagashima, Tomohisa; Ishii, Tatsuya; Kitamura, Soichiro; Niwa, Fumitoshi; Endo, Hironobu; Yamada, Makiko; Higuchi, Makoto; Zhang, Ming-Rong; Suhara, Tetsuya

2016-01-01

The histamine H 3 receptors are presynaptic neuroreceptors that inhibit the release of histamine and other neurotransmitters. The receptors are considered a drug target for sleep disorders and neuropsychiatric disorders with cognitive decline. We developed a novel PET ligand for the H 3 receptors, [ 11 C]TASP0410457 ([ 11 C]TASP457), with high affinity, selectivity and favorable kinetic properties in the monkey, and evaluated its kinetics and radiation safety profile for quantifying the H 3 receptors in human brain. Ten healthy men were scanned for 120 min with a PET scanner for brain quantification and three healthy men were scanned for radiation dosimetry after injection of 386 ± 6.2 MBq and 190 ± 7.5 MBq of [ 11 C]TASP457, respectively. For brain quantification, arterial blood sampling and metabolite analysis were performed using high-performance liquid chromatography. Distribution volumes (V T ) in brain regions were determined by compartment and graphical analyses using the Logan plot and Ichise multilinear analysis (MA1). For dosimetry, radiation absorbed doses were estimated using the Medical Internal Radiation Dose scheme. [ 11 C]TASP457 PET showed high uptake (standardized uptake values in the range of about 3 - 6) in the brain and fast washout in cortical regions and slow washout in the pallidum. The two-tissue compartment model and graphical analyses estimated V T with excellent identification using 60-min scan data (about 16 mL/cm 3 in the pallidum, 9 - 14 in the basal ganglia, 6 - 9 in cortical regions, and 5 in the pons), which represents the known distribution of histamine H 3 receptors. For parametric imaging, MA1 is recommended because of minimal underestimation with small intersubject variability. The organs with the highest radiation doses were the pancreas, kidneys, and liver. The effective dose delivered by [ 11 C]TASP457 was 6.9 μSv/MBq. [ 11 C]TASP457 is a useful novel PET ligand for the investigation of the density of histamine H 3

Polymeric anionic networks using dibromine as a crosslinker; the preparation and crystal structure of [(C4H9)4N]2[Pt2Br10].(Br2)7 and [(C4H9)4N]2[PtBr4Cl2].(Br2)6.

Science.gov (United States)

Berkei, Michael; Bickley, Jamie F; Heaton, Brian T; Steiner, Alexander

2002-09-21

The reaction of M[PtX3(CO)] (M+ = [(C4H9)4N]+, X = Br, Cl) with an excess of Br2 gives the new platinum(IV) salts, [(C4H9)4N]2[Pt2Br10].(Br2)7, 1, and [(C4H9)4N]2[PtBr4Cl2].(Br2)6, 2, which, in the solid state, contain strong Br Br interactions resulting in the formation of polymeric networks; they could provide useful solid storage reservoirs for elemental bromine.

CLEO-c and CESR-c: A new frontier in strong and weak interactions

Energy Technology Data Exchange (ETDEWEB)

Richichi, Stephen J

2003-06-01

We report on the physics potential of a charm and QCD factory, based on a proposal for the conversion of the existing CESR machine and CLEO detector: ''CESR-c and OLEO-c''. Such a facility will make major contributions to the field of quark flavor physics in this decade. It may also provide the best chance for understanding non-perturbative QCD, which is essential to understanding the strongly-coupled sectors of the new physics that lies beyond the Standard Model.

SIGNIFICANT ENHANCEMENT OF H{sub 2} FORMATION IN DISK GALAXIES UNDER STRONG RAM PRESSURE

Energy Technology Data Exchange (ETDEWEB)

Henderson, Benjamin; Bekki, Kenji [ICRAR, M468, The University of Western Australia, 35 Stirling Highway, Crawley, WA 6009 (Australia)

2016-05-10

We show for the first time that H{sub 2} formation on dust grains can be enhanced in disk galaxies under strong ram pressure (RP). We numerically investigate how the time evolution of H i and H{sub 2} components in disk galaxies orbiting a group/cluster of galaxies can be influenced by the hydrodynamical interaction between the gaseous components of the galaxies and the hot intracluster medium. We find that compression of H i caused by RP increases H{sub 2} formation in disk galaxies before RP rapidly strips H i, cutting off the fuel supply and causing a drop in H{sub 2} density. We also find that the level of this H{sub 2} formation enhancement in a disk galaxy under RP depends on the mass of its host cluster dark matter halo, the initial positions and velocities of the disk galaxy, and the disk inclination angle with respect to the orbital plane. We demonstrate that dust growth is a key factor in the evolution of the H i and H{sub 2} mass in disk galaxies under strong RP. We discuss how the correlation between H{sub 2} fractions and surface gas densities of disk galaxies evolves with time in the galaxies under RP. We also discuss whether galaxy-wide star formation rates (SFRs) in cluster disk galaxies can be enhanced by RP if the SFRs depend on H{sub 2} densities.

Acetylene C2H 2 retrievals from MIPAS data and regions of enhanced upper tropospheric concentrations in August 2003

Directory of Open Access Journals (Sweden)

V. P. Kanawade

2011-10-01

Full Text Available Acetylene (C2H2 volume mixing ratios (VMRs have been successfully retrieved from the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS Level 1B radiances during August 2003, providing the first global map of such data and ratios to CO in the literature. The data presented here contain most information between 300 hPa and 100 hPa with systematic errors less than 10% at the upper levels. Random errors per point are less than 15% at lower levels and are closer to 30% at 100 hPa. Global distributions of the C2H2 and C2H2/CO ratio confirm significant features associated with both the Asian monsoon anticyclone and biomass burning for this important hydrocarbon in a characteristic summer month (August 2003, showing tight correlations regionally, particularly at lower to medium values, but globally emphasising the differences between sources and lifetimes of CO and C2H2. The correlations are seen to be particularly disturbed in the regions of highest C2H2 concentrations, indicating variability in the surface emissions or fast processing. A strong isolation of C2H2 within the Asian monsoon anticyclone is observed, evidencing convective transport into the upper troposphere, horizontal advection within the anticyclone at 200 hPa, distinct gradients at the westward edge of the vortex and formation of a secondary dynamical feature from the eastward extension of the anticyclone outflow over the Asian Pacific. Ratios of C2H2/CO are consistent with the evidence from the cross-sections that the C2H2 is uplifted rapidly in convection. Observations are presented of enhanced C2H2 associated with the injection from biomass burning into the upper troposphere and the outflow from Africa at 200 hPa into both the Atlantic and Indian Oceans. In the biomass burning regions, C2H2 and CO are well correlated, but the uplift is less marked and peaks at lower altitudes compared to the strong effects observed in the Asian monsoon anticyclone. Ratios of C2H2/CO

Thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap semiconductors SiC, GaN, and ZnO

Directory of Open Access Journals (Sweden)

Zheng Huang

2015-09-01

Full Text Available We have investigated the thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap(n-type semiconductors SiC, GaN, and ZnO based on first-principles calculations and Boltzmann transport theory. Our results show that the thermoelectric performance increases from 3C to 6H, 4H, and 2H structures with an increase of hexagonality for SiC. However, for GaN and ZnO, their power factors show a very weak dependence on the polytype. Detailed analysis of the thermoelectric properties with respect to temperature and carrier concentration of 4H-SiC, 2H-GaN, and 2H-ZnO shows that the figure of merit of these three compounds increases with temperature, indicating the promising potential applications of these thermoelectric materials at high temperature. The significant difference of the polytype-dependent thermoelectric properties among SiC, GaN, and ZnO might be related to the competition between covalency and ionicity in these semiconductors. Our calculations may provide a new way to enhance the thermoelectric properties of wide-band-gap semiconductors through atomic structure design, especially hexagonality design for SiC.

Um estudo teórico de propriedades moleculares em complexos de hidrogênio trimoleculares C2H4···2HF, C2H2···2HF e C3h6···2HF A theoretical study of molecular properties of C2H4···2HF, C2H2···2HF AND C3H6···2HF trimolecular hydrogen-bonded complexes

Directory of Open Access Journals (Sweden)

Boaz G. Oliveira

2008-01-01

Full Text Available We present a theoretical study of molecular properties in C2H4···2HF, C2H2···2HF and C3H6···2HF trimolecular hydrogen-bonded complexes. From B3LYP/6-311++G(d,p calculations, the most important structural deformations are related to the C=C (C2H4, C≡C (C2H2, C-C (C3H6 and HF bond lengths. According to the Bader's atoms in molecules and CHELPG calculations, it was identified a tertiary interaction between the fluorine atom of the second hydrofluoric acid molecule and hydrogen atoms of the ethylene and acetylene within the C2H4···2HF and C2H2···2HF complexes, respectively. Additionally, the evaluation of the infrared spectrum characterized the new vibrational modes and bathochromic effect of the HF molecules.

Depth profiling of oxide-trapped charges in 6H-SiC MOS structures by slant etching method

Energy Technology Data Exchange (ETDEWEB)

Saitoh, Kazunari; Takahashi, Yoshihiro; Ohnishi, Kazunori [Nihon Univ., Tokyo (Japan). Coll. of Science and Technology; Yoshikawa, Masahito; Ohshima, Takeshi; Itoh, Hisayoshi; Nashiyama, Isamu

1997-03-01

In this paper, we propose a method to evaluate the depth profile of trapped charges in an oxide layer on SiC. Using this method, 6H-SiC MOS structures with different oxide thickness were fabricated on the same substrate under the same oxidation condition, and the depth profile of oxide-trapped charges before and after {sup 60}Co-gamma ray irradiation were obtained. It is found, from the depth profiling, that the trapping mechanism of electrons and holes in the oxide strongly depends on the bias polarity during irradiation, and these charges are trapped near 6H-SiC/SiO{sub 2} interface. We believe that this method is very useful for estimation of the oxide-trapped charges in 6H-SiC MOS structures. (author)

Advanced TiC/a-C : H nanocomposite coatings deposited by magnetron sputtering

NARCIS (Netherlands)

Pei, Y.T.; Galvan, D.; Hosson, J.Th.M. De; Strondl, C.

2006-01-01

TiC/a-C:H nanocomposite coatings have been deposited by magnetron Sputtering. They consist of 2-5 nm TiC nanocrystallites embedded in the amorphous hydrocarbon (a-C:H) matrix. A transition from a Columnar to a glassy microstructure has been observed in the nanocomposite coatings with increasing

Degradation of [14C]isofenphos in soil in the laboratory under different soil pH's, temperatures, and moistures

International Nuclear Information System (INIS)

Abou-Assaf, N.; Coats, J.R.

1987-01-01

The effects of three soil pH's, three soil temperatures, and three soil moistures on [ 14 C]isofenphos degradation were investigated. All three factors interacted strongly and significantly affected the persistence of isofenphos as well as the formation of the degradation products (p less than 1%). Isofenphos degradation was greatest at the higher temperatures 35 0 C greater than 25 0 C greater than 15 0 C (except under alkaline pH's), medium moisture 25% greater than 30% greater than 15%, and in both alkaline (pH = 8) and acidic soils (pH = 6) compared with neutral soil (pH = 7). Isofenphos oxon formation was greatest at higher temperatures 35 0 C compared with 25 0 C and 15 0 C, in acidic soil greater than neutral soil greater than alkaline soil, and under high moisture (30%) compared with the 15% and 22.5% moistures. The formation of soil-bound residues was greatest at higher temperatures 35 0 C greater than 25 0 C greater than 15 0 C, higher moisture 30% compared with 15% and 22.5%, and in alkaline soil compared with neutral and acidic soils

Structural, chemical and nanomechanical investigations of SiC/polymeric a-C:H films deposited by reactive RF unbalanced magnetron sputtering

Science.gov (United States)

Tomastik, C.; Lackner, J. M.; Pauschitz, A.; Roy, M.

2016-03-01

Amorphous carbon (or diamond-like carbon, DLC) films have shown a number of important properties usable for a wide range of applications for very thin coatings with low friction and good wear resistance. DLC films alloyed with (semi-)metals show some improved properties and can be deposited by various methods. Among those, the widely used magnetron sputtering of carbon targets is known to increase the number of defects in the films. Therefore, in this paper an alternative approach of depositing silicon-carbide-containing polymeric hydrogenated DLC films using unbalanced magnetron sputtering was investigated. The influence of the C2H2 precursor concentration in the deposition chamber on the chemical and structural properties of the deposited films was investigated by Raman spectroscopy, X-ray photoelectron spectroscopy and elastic recoil detection analysis. Roughness, mechanical properties and scratch response of the films were evaluated with the help of atomic force microscopy and nanoindentation. The Raman spectra revealed a strong correlation of the film structure with the C2H2 concentration during deposition. A higher C2H2 flow rate results in an increase in SiC content and decrease in hydrogen content in the film. This in turn increases hardness and elastic modulus and decreases the ratio H/E and H3/E2. The highest scratch resistance is exhibited by the film with the highest hardness, and the film having the highest overall sp3 bond content shows the highest elastic recovery during scratching.

Modeling X-ray Absorbers in AGNs with MHD-Driven Accretion-Disk Winds

Science.gov (United States)

Fukumura, Keigo; Kazanas, D.; Shrader, C. R.; Tombesi, F.; Contopoulos, J.; Behar, E.

2013-04-01

We have proposed a systematic view of the observed X-ray absorbers, namely warm absorbers (WAs) in soft X-ray and highly-ionized ultra-fast outflows (UFOs), in the context of magnetically-driven accretion-disk wind models. While potentially complicated by variability and thermal instability in these energetic outflows, in this simplistic model we have calculated 2D kinematic field as well as density and ionization structure of the wind with density profile of 1/r corresponding to a constant column distribution per decade of ionization parameter. In particular we show semi-analytically that the inner layer of the disk-wind manifests itself as the strongly-ionized fast outflows while the outer layer is identified as the moderately-ionized absorbers. The computed characteristics of these two apparently distinct absorbers are consistent with X-ray data (i.e. a factor of ~100 difference in column and ionization parameters as well as low wind velocity vs. near-relativistic flow). With the predicted contour curves for these wind parameters one can constrain allowed regions for the presence of WAs and UFOs.The model further implies that the UFO's gas pressure is comparable to that of the observed radio jet in 3C111 suggesting that the magnetized disk-wind with density profile of 1/r is a viable agent to help sustain such a self-collimated jet at small radii.

Laser Beam Melting of Alumina: Effect of Absorber Additions

Science.gov (United States)

Moniz, Liliana; Colin, Christophe; Bartout, Jean-Dominique; Terki, Karim; Berger, Marie-Hélène

2018-03-01

Ceramic laser beam melting offers new manufacturing possibilities for complex refractory structures. Poor absorptivity in near infra-red wavelengths of oxide ceramics is overcome with absorber addition to ceramic powders. Absorbers affect powder bed densities and geometrical stability of melted tracks. Optimum absorber content is defined for Al2O3 by minimizing powder bed porosity, maximizing melting pool geometrical stability and limiting shrinkage. Widest stability fields are obtained with addition of 0.1 wt.% C and 0.5 wt.% β-SiC. Absorption coefficient values of Beer-Lambert law follow stability trends: they increase with C additions, whereas with β-SiC, a maximum is reached for 0.5 wt.%. Powder particle ejections are also identified. Compared to metallic materials, this ejection phenomenon can no longer be neglected when establishing a three-dimensional manufacturing strategy.

Molecules in strong laser fields. In depth study of H2 molecule

International Nuclear Information System (INIS)

Awasthi, Manohar

2009-01-01

-threshold-ionization peaks is also demonstrated. The CI-TDSE results for H 2 are used for testing the validity of SAE approximation. In strong field physics, there are models based on the SAE approximation. Most popular are the Ammosov-Delone-Krainov (ADK) model, a molecular version of the ADK model called MO-ADK (MO stands for molecular orbital) and the strong field approximation (SFA). The validity of the second method for the solution of TDSE in SAE approximation is investigated by applying it to H 2 molecule where the exact two-electron results were already calculated using CI-TDSE. The SAE method uses density-functional-theory (DFT) for the description of field-free eigenstates and is thus abbreviated as DFT-SAE-TDSE. Since DFT is used for the calculation of field-free states, different functionals were also tested. The validity of MO-ADK model is also investigated. After establishing the DFT-SAE-TDSE method, the first excited state B 1 Σ u + of H 2 is studied over a large range of laser parameters. The effect of the closely lying excited states on ionization and excitation is studied. After successful testing of DFT-SAE-TDSE method on H 2 molecule, the results for larger molecules like N 2 , O 2 and C 2 H 2 in the DFT-SAE framework are presented. (orig.)

Catalyst- and Reagent-free Electrochemical Azole C-H Amination.

Science.gov (United States)

Qiu, Youai; Struwe, Julia; Meyer, Tjark H; Oliveira, Joao Carlos Agostinho Carlos Agostinho; Ackermann, Lutz

2018-06-14

Catalyst-, and chemical oxidant-free electrochemical azole C-H aminations were accomplished via cross-dehydrogenative C-H/N-H functionalization. The catalyst-free electrochemical C-H amination proved feasible on azoles with high levels of efficacy and selectivity, avoiding the use of stoichiometric oxidants under ambient conditions. Likewise, the C(sp3)-H nitrogenation proved viable under otherwise identical conditions. The dehydrogenative C-H amination featured ample scope, including cyclic and acyclic aliphatic amines as well as anilines, and employed sustainable electricity as the sole oxidant. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, structure, optical, photoluminescence and magnetic properties of K2[Co(C2O4)2(H2O)2]·4H2O

Science.gov (United States)

Narsimhulu, M.; Hussain, K. A.

2018-06-01

The synthesis, crystal structure, optical, photoluminescence and magnetic behaviour of potassium bis(oxalato)cobaltate(II)tertrahydrate{K2[Co(C2O4)2(H2O)2]·4H2O} are described. The compound was grown at room temperature from mixture of aqueous solutions by slow evaporation method. The X-ray crystallographic data showed that the compound belongs to the monoclinic crystal system with P21/n space group and Z = 4. The UV-visible diffuse absorbance spectra exhibited bands at 253, 285 and 541 nm in the visible and ultraviolet regions. The optical band gap of the compound was estimated as 3.4 eV. At room temperature, an intense photoluminescence was observed from this material around 392 nm when it excited at 254 nm. The variable temperature dc magnetic susceptibility measurements exposed paramagnetic behaviour at high temperatures and antiferromagnetic ordering at low temperatures.

The uptake of Cs, Cl, I, Co, U and Pu by C-S-H, portlandite and ettringite

International Nuclear Information System (INIS)

Le Callonnec, C.; Richet, C.; Ayache, R.

2000-01-01

The aim of this work is to study the retention of Pu, Cs, Cl, U, Co and I onto the three phases of a cement paste: calcium silicate hydrates or C-S-H (Ca/Si=1.65), portlandite (Ca(OH) 2 ) and ettringite (Ca 6 Al 2 S 3 O 21 .32H 2 O). C-S-H of Ca/Si molar ratio of 1.65 and ettringite were prepared in suspension, while portlandite was provided by an industrial laboratory. The sorptive power for each ion was determined by a batch model at 20 degrees Celsius. The uptake of ions onto the phases has been obtained by introducing a very small volume of radioactive Cs, Co, Cl, I, U and Pu solution in each batch. Aliquots of solution were periodically removed for analysis. The results show that there are two kinds of ions whatever the solid phase: those which are poorly sorbed: Cs, Cl, I and Co, U and Pu which are strongly sorbed (by a factor 100 to 10000). Elsewhere, the comparison between the sorptive power of each phase reveals that C-S-H develops a significant sorption potential for pluri-valent ions (Pu, U, Co) as well as for Cl. The retention capacity of portlandite mainly towards pluri-valent cations is one or two orders of magnitude weaker than C-S-H capacity. Ettringite only plays a sorptive role relatively to Cs. However, iodine does not have a strong affinity for any solid at all. The data allow us to calculate a global sorption coefficient Kd of the cement paste for each ion. Assuming that the proportion of C-S-H, portlandite, ettringite is respectively 65%, 15% and 5% in a Portland cement, the global sorption coefficient is in good agreement with literature regarding on U, Cs, I and Cl. Cementitious materials appear to be an interesting chemical barrier that can limit the diffusion of pluri-valent cations. As C-S-H represent from 60% to 75% of the cement paste, this study leads to underline that C-S-H is mainly responsible for the retention capacity of cementitious materials specially towards U, Pu, Co, Cl although its sorption power is limited concerning

Ir-catalyzed C-H silylations of phenyldeazapurines

Czech Academy of Sciences Publication Activity Database

Sabat, Nazarii; Poštová Slavětínská, Lenka; Hocek, Michal

2015-01-01

Roč. 56, č. 49 (2015), s. 6860-6862 ISSN 0040-4039 Institutional support: RVO:61388963 Keywords : C-H silylation * deazapurines * iridium catalysis * C-H activations Subject RIV: CC - Organic Chemistry Impact factor: 2.347, year: 2015

Energy analysis of a diffusion absorption cooling system using lithium nitrate, sodium thiocyanate and water as absorbent substances and ammonia as the refrigerant

International Nuclear Information System (INIS)

Acuña, A.; Velázquez, N.; Cerezo, J.

2013-01-01

A diffusion absorption cooling system is analyzed to determine the appropriate fluid for the unit, based on the coefficient of performance (COP) and operating conditions, by comparing lithium nitrate (LiNO 3 ), sodium thiocyanate (NaSCN) and water (H 2 O) as absorbent substances and by using ammonia (NH 3 ) as the refrigerant. The presence of crystallization in the system is analyzed as a function of the generator and absorber temperatures. Additionally, the effects on the efficiency of the system from adding the inert gas helium (He) or hydrogen (H 2 ) are studied. A mathematical model is developed and compared to experimental studies reported in the literature. At an evaporator temperature of −15 °C, a generator temperature of 120 °C and absorber and condenser temperatures of 40 °C, the results show that the best performance is achieved by the NH 3 –LiNO 3 –He mixture, with a COP of 0.48. This mixture performs 27–46% more efficient than the NH 3 –NaSCN mixture. The NH 3 –H 2 O mixture is 52–69% less efficient than the NH 3 –LiNO 3 mixture. However, when the evaporator runs at 7.5 °C, the NH 3 –H 2 O–He mixture achieves a more efficient COP than does the NH 3 –LiNO 3 –He mixture, and the NH 3 –NaSCN–He and NH 3 –LiNO 3 –He mixtures achieve the same COP when the evaporator is at 10 °C. At temperatures below 7.5 °C, the NH 3 –NaSCN–He mixture achieves a higher COP than does the NH 3 –H 2 O–He mixture. The NH 3 –LiNO 3 mixture shows crystallization at higher temperatures in the generator than does the NH 3 –NaSCN mixture. Moreover, at the same evaporator temperature, the NH 3 –LiNO 3 mixture works at activation temperatures lower than does the NH 3 –NaSCN mixture. -- Highlights: ► We studied a diffusion absorption cooling system with different working mixtures. ► The NH 3 –LiNO 3 mixture showed more efficiency than NH 3 –H 2 O mixture and NH 3 –NaSCN mixture. ► The generator and absorber temperature

Distributions of 12 elements on 64 absorbers from simulated Hanford Neutralized Current Acid Waste (NCAW)

International Nuclear Information System (INIS)

Svitra, Z.V.; Bowen, S.M.; Marsh, S.F.

1994-12-01

As part of the Hanford Tank Waste Remediation System program at Los Alamos, we evaluated 64 commercially available or experimental absorber materials for their ability to remove hazardous components from high-level waste. These absorbers included cation and anion exchange resins, inorganic exchangers, composite absorbers, and a series of liquid extractants sorbed on porous support-beads. We tested these absorbers with a solution that simulates Hanford neutralized current acid waste (NCAW) (pH 14.2). To this simulant solution we added the appropriate radionuclides and used gamma spectrometry to measure fission products (Cs, Sr, Tc, and Y) and matrix elements (Cr, Co, Fe, Mn, Ni, V, Zn, and Zr). For each of 768 element/absorber combinations, we measured distribution coefficients for dynamic contact periods of 30 min, 2 h, and 6 h to obtain information about sorption kinetics. On the basis of these 2304 measured distribution coefficients, we determined that many of the tested absorbers may be suitable for processing NCAW solutions

General allylic C-H alkylation with tertiary nucleophiles.

Science.gov (United States)

Howell, Jennifer M; Liu, Wei; Young, Andrew J; White, M Christina

2014-04-16

A general method for intermolecular allylic C-H alkylation of terminal olefins with tertiary nucleophiles has been accomplished employing palladium(II)/bis(sulfoxide) catalysis. Allylic C-H alkylation furnishes products in good yields (avg. 64%) with excellent regio- and stereoselectivity (>20:1 linear:branched, >20:1 E:Z). For the first time, the olefin scope encompasses unactivated aliphatic olefins as well as activated aromatic/heteroaromatic olefins and 1,4-dienes. The ease of appending allyl moieties onto complex scaffolds is leveraged to enable this mild and selective allylic C-H alkylation to rapidly diversify phenolic natural products. The tertiary nucleophile scope is broad and includes latent functionality for further elaboration (e.g., aliphatic alcohols, α,β-unsaturated esters). The opportunities to effect synthetic streamlining with such general C-H reactivity are illustrated in an allylic C-H alkylation/Diels-Alder reaction cascade: a reactive diene is generated via intermolecular allylic C-H alkylation and approximated to a dienophile contained within the tertiary nucleophile to furnish a common tricyclic core found in the class I galbulimima alkaloids.

Sensitivity of CLIC at 380 GeV to the top FCNC decay $t\\rightarrow cH$

CERN Document Server

AUTHOR|(SzGeCERN)442572

2017-01-01

In the Standard Model (SM), flavour changing neutral current (FCNC) top decays, possible at loop level only, are very strongly suppressed. Observation of any such decay would be a direct signature of physics beyond the SM. Large enhancements are possible in many "new physics" scenarios and the largest enhancement is in most cases expected for the $t\\rightarrow cH$ decay. A full study for CLIC was based on the WHIZARD simulation of FCNC top decays within the 2HDM(III) model. Beam polarization and beam-induced background were taken into account. Top pair production events with the FCNC decay $t\\rightarrow cH$ can be identified based on kinematic constrains and flavour tagging information. Due to a large overlap in the kinematic space with standard top pair events, the final signal selection-efficiency is small, at the 10% level. Expected limits on $BR(t\\rightarrow cH)\\times BR(H\\rightarrow b\\bar{b})$ are compared with earlier results based on parton level simulation.

A FORMAÇÃO DE LIGAÇÕES DE HIDROGÊNIO π‧‧‧H, F‧‧‧H E C‧‧‧H NOS COMPLEXOS C2H2‧‧‧(HF, C2H2‧‧‧2(HF E C2H2‧‧‧3(HF

Directory of Open Access Journals (Sweden)

Boaz G. Oliveira

2016-04-01

Full Text Available In this work, a theoretical study on the basis of structural, vibrational, electronic and topological parameters of the C2H2‧‧‧(HF, C2H2‧‧‧2(HF and C2H2‧‧‧3(HF complexes concerning the formation of π‧‧‧H, F‧‧‧H and C‧‧‧H hydrogen bonds is presented. The main difference among these complexes is not properly the interaction strength, but the hydrogen bond type whose benchmark is ruled justly by the structure. Meanwhile, the occurrence of π‧‧‧H hydrogen bonds was unveiled in both C2H2‧‧‧(HF dimer and C2H2‧‧‧3(HF tetramer, although in latter, this interaction is stronger than C‧‧‧H of the C2H2‧‧‧2(HF trimer. However, the F‧‧‧H hydrogen bonds within the subunits of hydrofluoric acid are the strongest ones, reaching a partial covalent limit, and thereby contribute decisively to the stabilization of the tetramer structure. In line with this, the largest red-shifts were observed on the hydrofluoric acid trimer of the C2H2‧‧‧3(HF complex.

Optical properties of selectively absorbing C/NiO nanocomposite coatings

CSIR Research Space (South Africa)

Roro, Kittessa T

2010-12-01

Full Text Available Nanocomposite thin films are widely used for solar thermal applications. Using carbon nanoparticle containing metal oxide as a spectrally selective solar absorber coating has grown significantly in recent years. Recently, Katumba et al. have...

Carbon dots with strong excitation-dependent fluorescence changes towards pH. Application as nanosensors for a broad range of pH

Energy Technology Data Exchange (ETDEWEB)

Barati, Ali [Faculty of Chemistry, Institute for Advanced Studies in Basic Sciences, Zanjan (Iran, Islamic Republic of); Department of Chemistry, Razi University, Kermanshah (Iran, Islamic Republic of); Shamsipur, Mojtaba, E-mail: mshamsipur@yahoo.com [Department of Chemistry, Razi University, Kermanshah (Iran, Islamic Republic of); Abdollahi, Hamid, E-mail: abd@iasbs.ac.ir [Faculty of Chemistry, Institute for Advanced Studies in Basic Sciences, Zanjan (Iran, Islamic Republic of)

2016-08-10

In this study, preparation of novel pH-sensitive N-doped carbon dots (NCDs) using glucose and urea is reported. The prepared NCDs present strong excitation-dependent fluorescence changes towards the pH that is a new behavior from these nanomaterials. By taking advantage of this unique behavior, two separated ratiometric pH sensors using emission spectra of the NCDs for both acidic (pH 2.0 to 8.0) and basic (pH 7.0 to 14.0) ranges of pH are constructed. Additionally, by considering the entire Excitation–Emission Matrix (EEM) of NCDs as analytical signal and using a suitable multivariate calibration method, a broad range of pH from 2.0 to 14.0 was well calibrated. The multivariate calibration method was independent from the concentration of NCDs and resulted in a very low average prediction error of 0.067 pH units. No changes in the predicted pH under UV irradiation (for 3 h) and at high ionic strength (up to 2 M NaCl) indicated the high stability of this pH nanosensor. The practicality of this pH nanosensor for pH determination in real water samples was validated with good accuracy and repeatability. - Highlights: • Novel pH-sensitive carbon dots with strong FL changes towards pH are reported. • Ratiometric FL pH-sensors for both acidic and basic ranges of pH are constructed. • Multivariate calibration methods were used to calibrate a broad range of pH. • Using EEM of carbon dots and ANN, pH from 2.0 to 14.0 was well calibrated. • The pH prediction is stable even at high ionic strength up to 2 M NaCl.

Carbon dots with strong excitation-dependent fluorescence changes towards pH. Application as nanosensors for a broad range of pH

International Nuclear Information System (INIS)

Barati, Ali; Shamsipur, Mojtaba; Abdollahi, Hamid

2016-01-01

In this study, preparation of novel pH-sensitive N-doped carbon dots (NCDs) using glucose and urea is reported. The prepared NCDs present strong excitation-dependent fluorescence changes towards the pH that is a new behavior from these nanomaterials. By taking advantage of this unique behavior, two separated ratiometric pH sensors using emission spectra of the NCDs for both acidic (pH 2.0 to 8.0) and basic (pH 7.0 to 14.0) ranges of pH are constructed. Additionally, by considering the entire Excitation–Emission Matrix (EEM) of NCDs as analytical signal and using a suitable multivariate calibration method, a broad range of pH from 2.0 to 14.0 was well calibrated. The multivariate calibration method was independent from the concentration of NCDs and resulted in a very low average prediction error of 0.067 pH units. No changes in the predicted pH under UV irradiation (for 3 h) and at high ionic strength (up to 2 M NaCl) indicated the high stability of this pH nanosensor. The practicality of this pH nanosensor for pH determination in real water samples was validated with good accuracy and repeatability. - Highlights: • Novel pH-sensitive carbon dots with strong FL changes towards pH are reported. • Ratiometric FL pH-sensors for both acidic and basic ranges of pH are constructed. • Multivariate calibration methods were used to calibrate a broad range of pH. • Using EEM of carbon dots and ANN, pH from 2.0 to 14.0 was well calibrated. • The pH prediction is stable even at high ionic strength up to 2 M NaCl.

Limits on top FCNC decay t$\\rightarrow$cH and t$\\rightarrow$c$\\gamma$ from CLIC at 380 GeV

CERN Document Server

Zarnecki, Aleksander

2018-01-01

FCNC top decays are very strongly suppressed in the Standard Model and the observation of any such decay would be a direct signature of physics beyond SM. Many "new physics" scenarios predict contributions to FCNC processes and the largest enhancement in many models is for t$\\rightarrow$cH decay. Enhancements for the decay channel t$\\rightarrow$c$\\gamma$ are more modest, but the decay still has a clearly identifiable kinematic signature. Prospects for measuring these decays at CLIC running at 380 GeV were studied with full detector simulation, taking the luminosity distribution, beam polarization and beam induced background into account. Top pair production events with t$\\rightarrow$cH decays can be identified based on the kinematic constraints and flavour tagging information. The analysis was divided into three steps: classification of top pair candidate events, event quality determination and kinematic reconstruction based on signal or background hypotheses, and final separation of signal from background. T...

Photodissociation of C{sub 3}H{sub 5}Br and C{sub 4}H{sub 7}Br at 234 nm

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyun Kook; Paul, Dababrata; Hong, Ki Ryong; Cho, Ha Na; Kim, Tae Kyu [Pusan National University, Busan (Korea, Republic of); Lee, Kyoung Seok [Korea Research Institute of Standards and Science, Daejeon (Korea, Republic of)

2012-01-15

The photodissociation dynamics of cyclopropyl bromide (C-3H{sub 5}Br) and cyclobutyl bromide (C{sub 4}H{sub 7}Br) at 234 nm was investigated. A two-dimensional photofragment ion-imaging technique coupled with a [2+1] resonance enhanced multiphoton ionization scheme was utilized to obtain speed and angular distributions of the nascent Br({sup 2}P{sub 3/2}) and Br*({sup 2}P{sub 1/2}) atoms. The recoil anisotropies for the Br and Br* channels were measured to be βBr = 0.92 ± 0.03 and βBr* = 1.52 ± 0.04 for C{sub 3}H{sub 5}Br and βBr = 1.10 ± 0.03 and βBr* = 1.49 ± 0.05 for C{sub 4}H{sub 7}Br. The relative quantum yield for Br was found to be ΦBr = 0.13 ± 0.03 and for C{sub 3}H{sub 5}Br and C{sub 4}H{sub 7}Br, respectively. The soft radical limit of the impulsive model adequately modeled the related energy partitioning. The nonadiabatic transition probability from the 3A' and 4A' potential energy surfaces was estimated and discussed.

Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

Science.gov (United States)

Ahmad, Bhat Zahoor; Want, Basharat

2016-04-01

We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C4H5O6)(C4H4O6)][3H2O]. X-ray crystal structure analyses reveal that it crystallizes in the P41212 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau- Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

Influence of oxidation temperature on photoluminescence and electrical properties of amorphous thin film SiC:H:O+Tb

Energy Technology Data Exchange (ETDEWEB)

Gordienko, S.O.; Nazarov, A.N.; Rusavsky, A.V.; Vasin, A.V.; Gomeniuk, Yu.V.; Lysenko, V.S.; Strelchuk, V.V.; Nikolaenko, A.S. [Lashkaryov Institute of Semiconductor Physics, National Academy of Sciences of Ukraine, Prospekt Nauki 41, 03028 Kyiv (Ukraine); Ashok, S. [The Pennsylvania State University, Department of Engineering Science, 212 Earth and Engineering Science Bldg., University Park, PA 16802 (United States)

2011-09-15

The influence of low-temperature oxidation on chemical composition, luminescent and electrical properties of a-Si{sub 1-x}C{sub x}:H thin films fabricated by reactive RF magnetron sputtering has been studied. A strong dependence on RF sputtering power is seen on the electrical and chemical properties. The a-Si{sub 1-x}C{sub x}:H films fabricated by low RF power levels followed by low-temperature oxidation (at 450 C-500 C) display high intensity of PL, good MOSCV characteristic and low leakage current through the dielectric. Increase of oxidation temperature increases precipitation of carbon nano-inclusions in the materials, that result in reduction of PL intensity and increase of dielectric leakage. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Conformation-induced remote meta-C-H activation of amines

Science.gov (United States)

Tang, Ri-Yuan; Li, Gang; Yu, Jin-Quan

2014-03-01

Achieving site selectivity in carbon-hydrogen (C-H) functionalization reactions is a long-standing challenge in organic chemistry. The small differences in intrinsic reactivity of C-H bonds in any given organic molecule can lead to the activation of undesired C-H bonds by a non-selective catalyst. One solution to this problem is to distinguish C-H bonds on the basis of their location in the molecule relative to a specific functional group. In this context, the activation of C-H bonds five or six bonds away from a functional group by cyclometallation has been extensively studied. However, the directed activation of C-H bonds that are distal to (more than six bonds away) functional groups has remained challenging, especially when the target C-H bond is geometrically inaccessible to directed metallation owing to the ring strain encountered in cyclometallation. Here we report a recyclable template that directs the olefination and acetoxylation of distal meta-C-H bonds--as far as 11 bonds away--of anilines and benzylic amines. This template is able to direct the meta-selective C-H functionalization of bicyclic heterocycles via a highly strained, tricyclic-cyclophane-like palladated intermediate. X-ray and nuclear magnetic resonance studies reveal that the conformational biases induced by a single fluorine substitution in the template can be enhanced by using a ligand to switch from ortho- to meta-selectivity.

A General Catalyst for Site-Selective C(sp(3))-H Bond Amination of Activated Secondary over Tertiary Alkyl C(sp(3))-H Bonds.

Science.gov (United States)

Scamp, Ryan J; Jirak, James G; Dolan, Nicholas S; Guzei, Ilia A; Schomaker, Jennifer M

2016-06-17

The discovery of transition metal complexes capable of promoting general, catalyst-controlled and selective carbon-hydrogen (C-H) bond amination of activated secondary C-H bonds over tertiary alkyl C(sp(3))-H bonds is challenging, as substrate control often dominates when reactive nitrene intermediates are involved. In this letter, we report the design of a new silver complex, [(Py5Me2)AgOTf]2, that displays general and good-to-excellent selectivity for nitrene insertion into propargylic, benzylic, and allylic C-H bonds over tertiary alkyl C(sp(3))-H bonds.

Fault Detection for Automotive Shock Absorber

Science.gov (United States)

Hernandez-Alcantara, Diana; Morales-Menendez, Ruben; Amezquita-Brooks, Luis

2015-11-01

Fault detection for automotive semi-active shock absorbers is a challenge due to the non-linear dynamics and the strong influence of the disturbances such as the road profile. First obstacle for this task, is the modeling of the fault, which has been shown to be of multiplicative nature. Many of the most widespread fault detection schemes consider additive faults. Two model-based fault algorithms for semiactive shock absorber are compared: an observer-based approach and a parameter identification approach. The performance of these schemes is validated and compared using a commercial vehicle model that was experimentally validated. Early results shows that a parameter identification approach is more accurate, whereas an observer-based approach is less sensible to parametric uncertainty.

Large-scale upper tropospheric pollution observed by MIPAS HCN and C2H6 global distributions

Science.gov (United States)

Glatthor, N.; von Clarmann, T.; Stiller, G. P.; Funke, B.; Koukouli, M. E.; Fischer, H.; Grabowski, U.; Höpfner, M.; Kellmann, S.; Linden, A.

2009-12-01

We present global upper tropospheric HCN and C2H6 amounts derived from MIPAS/ENVISAT limb emission spectra. HCN and C2H6 are retrieved in the spectral regions 715.5-782.7 cm-1 and 811.5-835.7 cm-1, respectively. The datasets consist of 54 days between September 2003 and March 2004. This period covers the peak and decline of the southern hemispheric biomass burning period and some months thereafter. HCN is a nearly unambiguous tracer of biomass burning with an assumed tropospheric lifetime of several months. Indeed, the most significant feature in the MIPAS HCN dataset is an upper tropospheric plume of enhanced values caused by southern hemispheric biomass burning, which in September and October 2003 extended from tropical South America over Africa, Australia to the Southern Pacific. The spatial extent of this plume agrees well with the MOPITT CO distribution of September 2003. Further there is good agreement with the shapes and mixing ratios of the southern hemispheric HCN and C2H6 fields measured by the ACE experiment between September and November 2005. The MIPAS HCN plume extended from the lowermost observation height of 8 km up to about 16 km altitude, with maximum values of 500-600 pptv in October 2003. It was still clearly visible in December 2003, but had strongly decreased by March 2004, confirming the assumed tropospheric lifetime. The main sources of C2H6 are production and transmission of fossil fuels, followed by biofuel use and biomass burning. The C2H6 distribution also clearly reflected the southern hemispheric biomass burning plume and its seasonal variation, with maximum amounts of 600-700 pptv. Generally there was good spatial overlap between the southern hemispheric distributions of both pollution tracers, except for the region between Peru and the mid-Pacific. Here C2H6was considerably enhanced, whereas the HCN amounts were low. Backward trajectory calculations suggested that industrial pollution was responsible for the elevated C2H6

Large-scale upper tropospheric pollution observed by MIPAS HCN and C2H6 global distributions

Directory of Open Access Journals (Sweden)

A. Linden

2009-12-01

Full Text Available We present global upper tropospheric HCN and C2H6 amounts derived from MIPAS/ENVISAT limb emission spectra. HCN and C2H6 are retrieved in the spectral regions 715.5–782.7 cm−1 and 811.5–835.7 cm−1, respectively. The datasets consist of 54 days between September 2003 and March 2004. This period covers the peak and decline of the southern hemispheric biomass burning period and some months thereafter. HCN is a nearly unambiguous tracer of biomass burning with an assumed tropospheric lifetime of several months. Indeed, the most significant feature in the MIPAS HCN dataset is an upper tropospheric plume of enhanced values caused by southern hemispheric biomass burning, which in September and October 2003 extended from tropical South America over Africa, Australia to the Southern Pacific. The spatial extent of this plume agrees well with the MOPITT CO distribution of September 2003. Further there is good agreement with the shapes and mixing ratios of the southern hemispheric HCN and C2H6 fields measured by the ACE experiment between September and November 2005. The MIPAS HCN plume extended from the lowermost observation height of 8 km up to about 16 km altitude, with maximum values of 500–600 pptv in October 2003. It was still clearly visible in December 2003, but had strongly decreased by March 2004, confirming the assumed tropospheric lifetime. The main sources of C2H6 are production and transmission of fossil fuels, followed by biofuel use and biomass burning. The C2H6 distribution also clearly reflected the southern hemispheric biomass burning plume and its seasonal variation, with maximum amounts of 600–700 pptv. Generally there was good spatial overlap between the southern hemispheric distributions of both pollution tracers, except for the region between Peru and the mid-Pacific. Here C2H6was considerably enhanced, whereas the HCN amounts were low. Backward trajectory calculations suggested that industrial pollution was responsible

Magnetic graphene enabled tunable microwave absorber via thermal control

Science.gov (United States)

Quan, L.; Qin, F. X.; Li, Y. H.; Estevez, D.; Fu, G. J.; Wang, H.; Peng, H.-X.

2018-06-01

By synthesizing nitrogen-doped graphene (NG) via a facile thermal annealing method, a fine control of the amount and location of doped nitrogen as well as the oxygen-containing functional groups is achieved with varying annealing temperature. The favorable magnetic properties have been achieved for N-doped rGO samples obtained at two temperatures of all NG samples, i.e., 500 °C and 900 °C with saturation magnetization of 0.63 emu g‑1 and 0.67 emu g‑1 at 2 K, respectively. This is attributed to the optimized competition of the N-doping and reduction process at 500 °C and the dominated reduction process at 900 °C. NG obtained at 300 °C affords the best overall absorbing performance: when the absorber thickness is 3.0 mm, the maximum absorption was ‑24.6 dB at 8.51 GHz, and the absorption bandwidth was 4.89 GHz (7.55–12.44 GHz) below ‑10 dB. It owes its large absorbing intensity to the good impedance match and significant dielectric loss. The broad absorption bandwidth benefits from local fluctuations of dielectric responses contributed by competing mechanisms. Despite the significant contribution from materials loss to the absorption, the one quarter-wavelength model is found to be responsible for the reflection loss peak positions. Of particular significance is that an appropriate set of electromagnetic parameters associated with reasonable reduction is readily accessible by convenient control of annealing temperature to modulate the microwave absorbing features of graphene. Thus, NG prepared by thermal annealing promises to be a highly efficient microwave absorbent.

Design and measuring of a tunable hybrid metamaterial absorber for terahertz frequencies

Science.gov (United States)

Zhong, Min; Liu, Shui Jie; Xu, Bang Li; Wang, Jie; Huang, Hua Qing

2018-04-01

A tunable hybrid metamaterial absorber is designed and experimentally produced in THz band. The hybrid metamaterial absorber contains two dielectric layers: SU-8 and VO2 layers. An absorption peak reaching to 83.5% is achieved at 1.04 THz. The hybrid metamaterial absorber exhibits high absorption when the incident angle reaches to 45°. Measured results indicate that the absorption amplitude and peak frequency of the hybrid metamaterial absorber is tunable in experiments. It is due to the insulator-to-metal phase transition is achieved when the measured temperature reaches to 68 °C. Moreover, the hybrid metamaterial absorber reveals high figure of merit (FOM) value when the measured temperature reaches to 68 °C.

Experimental ion mobility measurements in Xe-C2H6

Science.gov (United States)

Perdigoto, J. M. C.; Cortez, A. F. V.; Veenhof, R.; Neves, P. N. B.; Santos, F. P.; Borges, F. I. G. M.; Conde, C. A. N.

2017-10-01

In this paper we present the results of the ion mobility measurements made in gaseous mixtures of xenon (Xe) with ethane (C2H6) for pressures ranging from 6 to 10 Torr (8-10.6 mbar) and for low reduced electric fields in the 10 Td to 25 Td range (2.4-6.1 kVṡcm-1ṡ bar-1), at room temperature. The time of arrival spectra revealed two peaks throughout the entire range studied which were attributed to ion species with 3-carbons (C3H5+, C3H6+ C3H8+ and C3H9+) and with 4-carbons (C4H7+, C4H9+ and C4H10+). Besides these, and for Xe concentrations above 70%, a bump starts to appear at the right side of the main peak for reduced electric fields higher than 20 Td, which was attributed to the resonant charge transfer of C2H6+ to C2H6 that affects the mobility of its ion products (C3H8+ and C3H9+). The time of arrival spectra for Xe concentrations of 20%, 50%, 70% and 90% are presented, together with the reduced mobilities as a function of the Xe concentration calculated from the peaks observed for the low reduced electric fields and pressures studied.

Effect of H/C ratio on coal ignition

Energy Technology Data Exchange (ETDEWEB)

Furimsky, E.

1988-09-01

The Cahn balance technique was found to be suitable for estimating ignition temperature and its dependence on the H/C ratio of the coal. This temperature decreased with increasing H/C ratio of coals. For coals a linear correlation between H/C ratio and the temperature was established. Chars derived from the coals deviated from the linear correlation established on coals. 17 refs., 4 figs.

Interconversion of η3-H2SiRR' σ-complexes and 16-electron silylene complexes via reversible H-H or C-H elimination.

Science.gov (United States)

Lipke, Mark C; Neumeyer, Felix; Tilley, T Don

2014-04-23

Solid samples of η(3)-silane complexes [PhBP(Ph)3]RuH(η(3)-H2SiRR') (R,R' = Et2, 1a; PhMe, 1b; Ph2, 1c, MeMes, 1d) decompose when exposed to dynamic vacuum. Gas-phase H2/D2 exchange between isolated, solid samples of 1c-d3 and 1c indicate that a reversible elimination of H2 is the first step in the irreversible decomposition. An efficient solution-phase trap for hydrogen, the 16-electron ruthenium benzyl complex [PhBP(Ph)3]Ru[η(3)-CH2(3,5-Me2C6H3)] (3) reacts quantitatively with H2 in benzene via elimination of mesitylene to form the η(5)-cyclohexadienyl complex [PhBP(Ph)3]Ru(η(5)-C6H7) (4). This H2 trapping reaction was utilized to drive forward and quantify the elimination of H2 from 1b,d in solution, which resulted in the decomposition of 1b,d to form 4 and several organosilicon products that could not be identified. Reaction of {[PhBP(Ph)3]Ru(μ-Cl)}2 (2) with (THF)2Li(SiHMes2) forms a new η(3)-H2Si species [PhBP(Ph)3]Ru[CH2(2-(η(3)-H2SiMes)-3,5-Me2C6H2)] (5) which reacts with H2 to form the η(3)-H2SiMes2 complex [PhBP(Ph)3]RuH(η(3)-H2SiMes2) (1e). Complex 1e was identified by NMR spectroscopy prior to its decomposition by elimination of Mes2SiH2 to form 4. DFT calculations indicate that an isomer of 5, the 16-electron silylene complex [PhBP(Ph)3]Ru(μ-H)(═SiMes2), is only 2 kcal/mol higher in energy than 5. Treatment of 5 with XylNC (Xyl = 2,6-dimethylphenyl) resulted in trapping of [PhBP(Ph)3]Ru(μ-H)(═SiMes2) to form the 18-electron silylene complex [PhBP(Ph)3]Ru(CNXyl)(μ-H)(═SiMes2) (6). A closely related germylene complex [PhBP(Ph)3]Ru[CN(2,6-diphenyl-4-MeC6H2)](H)(═GeH(t)Bu) (8) was prepared from reaction of (t)BuGeH3 with the benzyl complex [PhBP(Ph)3]Ru[CN(2,6-diphenyl-4-MeC6H2)][η(1)-CH2(3,5-Me2C6H3)] (7). Single crystal XRD analysis indicated that unlike for 6, the hydride ligand in 8 is a terminal hydride that does not engage in 3c-2e Ru-H → Ge bonding. Complex 1b is an effective precatalyst for the catalytic Ge-H dehydrocoupling

Gravitational leptogenesis, C, CP and strong equivalence

International Nuclear Information System (INIS)

McDonald, Jamie I.; Shore, Graham M.

2015-01-01

The origin of matter-antimatter asymmetry is one of the most important outstanding problems at the interface of particle physics and cosmology. Gravitational leptogenesis (baryogenesis) provides a possible mechanism through explicit couplings of spacetime curvature to appropriate lepton (or baryon) currents. In this paper, the idea that these strong equivalence principle violating interactions could be generated automatically through quantum loop effects in curved spacetime is explored, focusing on the realisation of the discrete symmetries C, CP and CPT which must be broken to induce matter-antimatter asymmetry. The related issue of quantum corrections to the dispersion relation for neutrino propagation in curved spacetime is considered within a fully covariant framework.

Gravitational leptogenesis, C, CP and strong equivalence

Energy Technology Data Exchange (ETDEWEB)

McDonald, Jamie I.; Shore, Graham M. [Department of Physics, Swansea University,Swansea, SA2 8PP (United Kingdom)

2015-02-12

The origin of matter-antimatter asymmetry is one of the most important outstanding problems at the interface of particle physics and cosmology. Gravitational leptogenesis (baryogenesis) provides a possible mechanism through explicit couplings of spacetime curvature to appropriate lepton (or baryon) currents. In this paper, the idea that these strong equivalence principle violating interactions could be generated automatically through quantum loop effects in curved spacetime is explored, focusing on the realisation of the discrete symmetries C, CP and CPT which must be broken to induce matter-antimatter asymmetry. The related issue of quantum corrections to the dispersion relation for neutrino propagation in curved spacetime is considered within a fully covariant framework.

Fast microwave assisted pyrolysis of biomass using microwave absorbent.

Science.gov (United States)

Borges, Fernanda Cabral; Du, Zhenyi; Xie, Qinglong; Trierweiler, Jorge Otávio; Cheng, Yanling; Wan, Yiqin; Liu, Yuhuan; Zhu, Rongbi; Lin, Xiangyang; Chen, Paul; Ruan, Roger

2014-03-01

A novel concept of fast microwave assisted pyrolysis (fMAP) in the presence of microwave absorbents was presented and examined. Wood sawdust and corn stover were pyrolyzed by means of microwave heating and silicon carbide (SiC) as microwave absorbent. The bio-oil was characterized, and the effects of temperature, feedstock loading, particle sizes, and vacuum degree were analyzed. For wood sawdust, a temperature of 480°C, 50 grit SiC, with 2g/min of biomass feeding, were the optimal conditions, with a maximum bio-oil yield of 65 wt.%. For corn stover, temperatures ranging from 490°C to 560°C, biomass particle sizes from 0.9mm to 1.9mm, and vacuum degree lower than 100mmHg obtained a maximum bio-oil yield of 64 wt.%. This study shows that the use of microwave absorbents for fMAP is feasible and a promising technology to improve the practical values and commercial application outlook of microwave based pyrolysis. Copyright © 2014 Elsevier Ltd. All rights reserved.

Specific primary ionization induced by minimum ionizing electrons in CH4, C2H6, C3H8, i-C4H10, Ar, DME,TEA and TMAE

International Nuclear Information System (INIS)

Melamud, G.; Breskin, A.; Chechik, R.; Pansky, A.

1992-10-01

Specific primary ionization induced by minimum ionizing electrons has been measured in several gases and vapors. Charges deposited by β-electrons in a low pressure gas, were collected, amplified by a multistep gaseous electron multiplier and counted. The high counting efficiency of the multiplier provided results of systematically higher values as compared to existing data. The respective values of the specific primary ionization in CH 4 C 2 H 6 , C 3 H 8 ,i-C 4 H 10 , Argon, Dimethylether, Triethylamine and Tetrakis(dimethylamino) ethylene are: 0.034, 0.065, 0.095, 0.12, 0.03, 0.082, 0.0195 and 0.370 clusters/cm*Torr. We present the experimental method and discuss the results and their accuracy. (authors)

Superhard nanocomposite nc-TiC/a-C:H film fabricated by filtered cathodic vacuum arc technique

International Nuclear Information System (INIS)

Wang Yaohui; Zhang Xu; Wu Xianying; Zhang Huixing; Zhang Xiaoji

2008-01-01

Superhard nanocomposite nc-TiC/a-C:H films, with an excellent combination of high elastic recovery, low friction coefficient and good H/E ratio, were prepared by filtered cathodic vacuum arc technique using the C 2 H 2 gas as the precursor. The effect of C 2 H 2 flow rate on the microstructure, phase composition, mechanical and tribological properties of nanocomposite nc-TiC/a-C:H films have been investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), energy disperse spectroscopy (EDS), microindentation and tribotester measurements. It was observed that the C 2 H 2 flow rate significantly affected the Ti content and hardness of films. Furthermore, by selecting the proper value for C 2 H 2 flow rate, 20 sccm, one can deposit the nanocomposite film nc-TiC/a-C:H with excellent properties such as superhardness (66.4 GPa), high elastic recovery (83.3%) and high H/E ratio (0.13)

Proton relays in anomalous carbocations dictate spectroscopy, stability, and mechanisms: case studies on C2H5+ and C3H3.

Science.gov (United States)

Sager, LeeAnn M; Iyengar, Srinivasan S

2017-10-18

We present a detailed analysis of the anomalous carbocations: C 2 H 5 + and C 3 H 3 + . This work involves (a) probing electronic structural properties, (b) ab initio dynamics simulations over a range of internal energies, (c) analysis of reduced dimensional potential surfaces directed along selected conformational transition pathways, (d) dynamically averaged vibrational spectra computed from ab initio dynamics trajectories, and (e) two-dimensional time-frequency analysis to probe conformational dynamics. Key findings are as follows: (i) as noted in our previous study on C 2 H 3 + , it appears that these non-classical carbocations are stabilized by delocalized nuclear frameworks and "proton shuttles". We analyze this nuclear delocalization and find critical parallels between conformational changes in C 2 H 3 + , C 2 H 5 + , and C 3 H 3 + . (ii) The vibrational signatures of C 2 H 5 + are dominated by the "bridge-proton" conformation, but also show critical contributions from the "classical" configuration, which is a transition state at almost all levels of theory. This result is further substantiated through two-dimensional time-frequency analysis and is at odds with earlier explanations of the experimental spectra, where frequencies close to the classical region were thought to arise from an impurity. While this is still possible, our results here indicate an additional (perhaps more likely) explanation that involves the "classical" isomer. (iii) Finally, in the case of C 3 H 3 + our explanation of the experimental result includes the presence of multiple, namely, "cyclic", "straight", and propargyl, configurations. Proton shuttles and nuclear delocalization, reminiscent of those seen in the case of C 2 H 3 + , were seen all through and have a critical role in all our observations.

Distributions of 15 elements on 58 absorbers from simulated Hanford Double-Shell Slurry Feed (DSSF)

International Nuclear Information System (INIS)

Marsh, S.F.; Svitra, Z.V.; Bowen, S.M.

1994-11-01

As part of the Hanford Tank Waste Remediation System program at Los Alamos, we evaluated 58 commercially available or experimental absorber materials for their ability to remove hazardous components from high-level waste. These absorbers included cation and anion exchange resins, inorganic exchangers, composite absorbers, pillared layered materials, and a series of liquid extractants sorbed on porous support-beads. We tested these absorbers with a solution that simulates Hanford double-shell slurry feed (DSSF) (pH 14.0). To this simulant solution we added the appropriate radionuclides and used gamma spectrometry to measure fission products (Ce, Cs, Sr, Tc, and Y), actinides (U and Am), and matrix elements (Cr, Co, Fe, Mn, Ni, V, Zn, and Zr). For each of 870 element/absorber combinations, we measured distribution coefficients for dynamic contact periods of 30 min, 2 h, and 6 h to obtain information about sorption kinetics. On the basis of these 2610 measured distribution coefficients, we determined that many of the tested absorbers may be suitable for processing DSSF solutions

Reaction of the C2H radical with 1-butyne (C4H6): Low Temperature Kinetics and Isomer-Specific Product Detection

Energy Technology Data Exchange (ETDEWEB)

Soorkia, Satchin; Trevitt, Adam J.; Selby, Talitha M.; Osborn, David L.; Taatjes, Craig A.; Wilson, Kevin R.; Leone, Stephen R.

2009-12-22

The rate coefficient for the reaction of the ethynyl radical (C{sub 2}H) with 1-butyne (H-C{triple_bond}C-CH{sub 2}-CH{sub 3}) is measured in a pulsed Laval nozzle apparatus. Ethynyl radicals are formed by laser photolysis of acetylene (C{sub 2}H{sub 2}) at 193 nm and detected via chemiluminescence (C{sub 2}H + O{sub 2} {yields} CH (A{sup 2}{Delta}) + CO{sub 2}). The rate coefficients are measured over the temperature range of 74-295 K. The C{sub 2}H + 1-butyne reaction exhibits no barrier and occurs with rate constants close to the collision limit. The temperature dependent rate coefficients can be fit within experimental uncertainties by the expression k = (2.4 {+-} 0.5) x 10{sup -10} (T/295 K)-(0.04 {+-} 0.03) cm{sup 3} molecule{sup -1}s{sup -1}. Reaction products are detected at room temperature (295 K) and 533 Pa using a Multiplexed Photoionization Mass Spectrometer (MPIMS) coupled to the tunable VUV synchrotron radiation from the Advanced Light Source at the Lawrence Berkeley National Laboratory. Two product channels are identified for this reaction: m/z = 64 (C{sub 5}H{sub 4}) and m/z = 78 (C{sub 6}H{sub 6}) corresponding to the CH{sub 3}- and H-loss channels, respectively. Photoionization efficiency (PIE) curves are used to analyze the isomeric composition of both product channels. The C{sub 5}H{sub 4} products are found to be exclusively linear isomers composed of ethynylallene and methyldiacetylene in a 4:1 ratio. In contrast, the C{sub 6}H{sub 6} product channel includes two cyclic isomers, fulvene 18({+-}5)% and 3,4-dimethylenecyclobut-1-ene 32({+-}8)%, as well as three linear isomers, 2-ethynyl-1,3-butadiene 8({+-}5)%, 3,4-hexadiene-1-yne 28({+-}8)% and 1,3-hexadiyne 14({+-}5)%. Within experimental uncertainties, we do not see appreciable amounts of benzene and an upper limit of 10% is estimated. Diacetylene (C{sub 4}H{sub 2}) formation via the C{sub 2}H{sub 5}-loss channel is also thermodynamically possible but cannot be observed due to experimental

Shock absorber

International Nuclear Information System (INIS)

Housman, J.J.

1978-01-01

A shock absorber is described for use in a hostile environment at the end of a blind passage for absorbing impact loads. The shock absorber includes at least one element which occupies the passage and which is comprised of a porous brittle material which is substantially non-degradable in the hostile environment. A void volume is provided in the element to enable the element to absorb a predetermined level of energy upon being crushed due to impact loading

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

International Nuclear Information System (INIS)

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

1979-01-01

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

Growth of Ba-hexaferrite films on single crystal 6-H SiC

International Nuclear Information System (INIS)

Chen Zhoahui; Yang, Aria; Yoon, S.D.; Ziemer, Katherine; Vittoria, Carmine; Harris, V.G.

2006-01-01

Barium hexaferrite films have been processed by pulsed laser deposition on single crystal 6-H silicon carbide substrates. Atomic force microscopy images show hexagonal crystals (∼0.5μm in diameter) oriented with the c-axis perpendicular to the film plane. X-ray θ-2θ diffraction measurements indicate a strong (0,0,2n) alignment of crystallites. The magnetization for low-pressure deposition (20mTorr) is comparable to bulk values (4πM s ∼4320G). The loop squareness, important for self-bias microwave device applications, increases with oxygen pressure reaching a maximum value of 70%. This marks the first growth of a microwave ferrite on SiC substrates and offers a new approach in the design and development of μ-wave and mm-wave monolithic integrated circuits. c integrated circuits

Numerical Investigation of an Absorption-Diffusion Cooling Machine Using C3H8/C9H20 as Binary Working Fluid Étude numérique d’une machine frigorifique à absorption-diffusion utilisant le couple C3H8/C9H20

Directory of Open Access Journals (Sweden)

Dardour H.

2013-05-01

Full Text Available This paper is concerned with the analysis and the simulation of a heat-driven absorption-diffusion cooling machine which can operate with low-grade heat sources. The simplified configuration of the heat-powered absorption-diffusion refrigerating machine considered in this study is based on the Platen-Munters single pressure refrigerators principle [Platen B.C.V. and Munters C.G. (1928 Refrigerator, US Patent 1, 685-764J. Three working fluids are used, nonane as an absorbent, propane as a refrigerant and hydrogen as the inert auxiliary gas. The designed cooling capacity of the machine is 1 kW which is suitable for a domestic use for refrigeration purposes. We restricted the maximum temperature of the driving heat supplied to the generator to 130 °C, a temperature achievable with evacuated-tube solar collectors. The simulations are carried out using a commercially available flow sheeting software with the PengRobinson equation of state as property prediction method. In this paper, we analyze the heat and mass transfer characteristics in all relevant machine components (absorber, condenser, generator and solution heat exchangers. The simulations results allow determining the values of different parameters of the systems such as the refrigerant and the solvent temperatures in various points of the machine, the liquid and the vapor flow rates and compositions. The system performances were parametrically analyzed using the flow sheeting software. Performance characteristics were determined for a wide range of operating conditions allowing investigating and evaluating the effect of various design parameters. Ce papier est consacré à l’étude et l’analyse d’une machine frigorifique à absorption-diffusion. La machine est actionnée grâce à une source de chaleur de température modérée. La configuration et le principe de fonctionnement de l’appareil obéissent au modèle de Platen Munters [Platen B.C.V. and Munters C.G. (1928 Refrigerator

Ligand-controlled, tunable silver-catalyzed C-H amination.

Science.gov (United States)

Alderson, Juliet M; Phelps, Alicia M; Scamp, Ryan J; Dolan, Nicholas S; Schomaker, Jennifer M

2014-12-03

The development of readily tunable and regioselective C-H functionalization reactions that operate solely through catalyst control remains a challenge in modern organic synthesis. Herein, we report that simple silver catalysts supported by common nitrogenated ligands can be used to tune a nitrene transfer reaction between two different types of C-H bonds. The results reported herein represent the first example of ligand-controlled and site-selective silver-promoted C-H amination.

Advanced TiC/a-C: H nanocomposite coatings deposited by magnetron sputtering

OpenAIRE

Pei, Y.T.; Galvan, D.; Hosson, J.Th.M. De; Strondl, C.

2006-01-01

TiC/a-C:H nanocomposite coatings have been deposited by magnetron Sputtering. They consist of 2-5 nm TiC nanocrystallites embedded in the amorphous hydrocarbon (a-C:H) matrix. A transition from a Columnar to a glassy microstructure has been observed in the nanocomposite coatings with increasing substrate bias or carbon content. Micro-cracks induced by nanoindentation or wear tests readily propagate through the column boundaries whereas the coatings without a columnar inicrostructure exhibit s...

Symmetry breaking and spectral considerations of the surprisingly floppy c-C3H radical and the related dipole-bound excited state of c-C3H-

Science.gov (United States)

Bassett, Matthew K.; Fortenberry, Ryan C.

2017-06-01

The C3H radical is believed to be prevalent throughout the interstellar medium and may be involved in the formation of polycyclic aromatic hydrocarbons. C3H exists as both a linear and a cyclic isomer. The C2 v cyclopropenylidenyl radical isomer was detected in the dark molecular cloud TMC-1, and the linear propenylidenyl radical isomer has been observed in various dark molecular clouds. Even though the c-C3H radical has been classified rotationally, the vibrational frequencies of this seemingly important interstellar molecule have never been directly observed. Established, highly accurate quartic force field methodologies are employed here to compute useful geometrical data, spectroscopic constants, and vibrational frequencies. The computed rotational constants are consistent with the experimental results. Consequently, the three a1 (ν1, ν2, and ν3) and one b1 (ν6) anharmonic vibrational frequencies at 3117.7 cm-1, 1564.3 cm-1, 1198.5 cm-1, and 826.7 cm-1, respectively, are reliable predictions for these, as of yet unseen, observables. Unfortunately, the two b2 fundamentals (ν4 and ν5) cannot be treated adequately in the current approach due to a flat and possible double-well potential described in detail herein. The dipole-bound excited state of the anion suffers from the same issues and may not even be bound. However, the trusted fundamental vibrational frequencies described for the neutral radical should not be affected by this deformity and are the first robustly produced for c-C3H. The insights gained here will also be applicable to other structures containing three-membered bare and exposed carbon rings that are surprisingly floppy in nature.

Vibrational spectrum of solid picene (C22H14)

International Nuclear Information System (INIS)

Joseph, B; Capitani, F; Boeri, L; Malavasi, L; Artioli, G A; Protti, S; Fagnoni, M; Albini, A; Marini, C; Baldassarre, L; Perucchi, A; Lupi, S; Postorino, P; Dore, P

2012-01-01

Recently, Mitsuhashi et al observed superconductivity with a transition temperature up to 18 K in potassium doped picene (C 22 H 14 ), a polycyclic aromatic hydrocarbon compound (Mitsuhashi et al 2010 Nature 464 76). Theoretical analysis indicates the importance of electron-phonon coupling in the superconducting mechanisms of these systems, with different emphasis on inter- and intra-molecular vibrations, depending on the approximations used. Here we present a combined experimental and ab initio study of the Raman and infrared spectrum of undoped solid picene, which allows us to unambiguously assign the vibrational modes. This combined study enables the identification of the modes which couple strongly to electrons and hence can play an important role in the superconducting properties of the doped samples. (fast track communication)

Molecules in strong laser fields. In depth study of H{sub 2} molecule

Energy Technology Data Exchange (ETDEWEB)

Awasthi, Manohar

2009-10-29

above-threshold-ionization peaks is also demonstrated. The CI-TDSE results for H{sub 2} are used for testing the validity of SAE approximation. In strong field physics, there are models based on the SAE approximation. Most popular are the Ammosov-Delone-Krainov (ADK) model, a molecular version of the ADK model called MO-ADK (MO stands for molecular orbital) and the strong field approximation (SFA). The validity of the second method for the solution of TDSE in SAE approximation is investigated by applying it to H{sub 2} molecule where the exact two-electron results were already calculated using CI-TDSE. The SAE method uses density-functional-theory (DFT) for the description of field-free eigenstates and is thus abbreviated as DFT-SAE-TDSE. Since DFT is used for the calculation of field-free states, different functionals were also tested. The validity of MO-ADK model is also investigated. After establishing the DFT-SAE-TDSE method, the first excited state B{sup 1}{sigma}{sub u}{sup +} of H{sub 2} is studied over a large range of laser parameters. The effect of the closely lying excited states on ionization and excitation is studied. After successful testing of DFT-SAE-TDSE method on H{sub 2} molecule, the results for larger molecules like N{sub 2}, O{sub 2} and C{sub 2}H{sub 2} in the DFT-SAE framework are presented. (orig.)

Shock absorbing structure

International Nuclear Information System (INIS)

Kojima, Naoki; Matsushita, Kazuo.

1992-01-01

Small pieces of shock absorbers are filled in a space of a shock absorbing vessel which is divided into a plurality of sections by partitioning members. These sections function to prevent excess deformation or replacement of the fillers upon occurrence of falling accident. Since the shock absorbing small pieces in the shock absorbing vessel are filled irregularly, shock absorbing characteristics such as compression strength is not varied depending on the direction, but they exhibit excellent shock absorbing performance. They surely absorb shocks exerted on a transportation vessel upon falling or the like. If existing artificial fillers such as pole rings made of metal or ceramic and cut pieces such as alumium extrusion molding products are used as the shock absorbing pieces, they have excellent fire-proofness and cold resistance since the small pieces are inflammable and do not contain water. (T.M.)

Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O

International Nuclear Information System (INIS)

Ahmad, Bhat Zahoor; Want, Basharat

2016-01-01

We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C 4 H 5 O 6 )(C 4 H 4 O 6 )][3H 2 O]. X-ray crystal structure analyses reveal that it crystallizes in the P4 1 2 1 2 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

Enzyme-controlled nitrogen-atom transfer enables regiodivergent C-H amination.

Science.gov (United States)

Hyster, Todd K; Farwell, Christopher C; Buller, Andrew R; McIntosh, John A; Arnold, Frances H

2014-11-05

We recently demonstrated that variants of cytochrome P450BM3 (CYP102A1) catalyze the insertion of nitrogen species into benzylic C-H bonds to form new C-N bonds. An outstanding challenge in the field of C-H amination is catalyst-controlled regioselectivity. Here, we report two engineered variants of P450BM3 that provide divergent regioselectivity for C-H amination-one favoring amination of benzylic C-H bonds and the other favoring homo-benzylic C-H bonds. The two variants provide nearly identical kinetic isotope effect values (2.8-3.0), suggesting that C-H abstraction is rate-limiting. The 2.66-Å crystal structure of the most active enzyme suggests that the engineered active site can preorganize the substrate for reactivity. We hypothesize that the enzyme controls regioselectivity through localization of a single C-H bond close to the iron nitrenoid.

Absorbent agents for clean-up of liquid hydrocarbons

International Nuclear Information System (INIS)

Waldmann, J.J.

1993-01-01

A method is described for absorbing liquid hydrocarbon from a liquid hydrocarbon-contaminated substrate comprising applying to said contaminated substrate an effective amount of a chemical absorbent composition of formula: A m B n C p wherein A m is an acid leached bentonite in a form of hydrous silicate of alumina modified by a hydrophobic alkyl (C 12 -C 24 ) amine which has been double protonized by an aliphatic acid with C 1 -C 18 carbon atoms in which m = 0 to 100% by weight of the composition; B n is a modified aminoplast resin comprised of cyanoguanidine-melamine-urea-formaldehyde in a foam form in which n is 0 to 100% by weight; and C p is a siliceous support-modified hydrophobic material in which p is 0 to 100% by weight; provided that at least one of m and n is a positive numerical value

Absorbing Aerosols: Field and Laboratory Studies of Black Carbon and Dust

Science.gov (United States)

Aiken, A. C.; Flowers, B. A.; Dubey, M. K.

2011-12-01

Currently, absorbing aerosols are thought to be the most uncertain factor in atmospheric climate models (~0.4-1.2 W/m2), and the 2nd most important factor after CO2 in global warming (1.6 W/m2; Ramanathan and Carmichael, Nature Geoscience, 2008; Myhre, Science, 2009). While most well-recognized atmospheric aerosols, e.g., sulfate from power-plants, have a cooling effect on the atmosphere by scattering solar radiation, black carbon (BC or soot) absorbs sunlight strongly which results in a warming of the atmosphere. Dust particles are also present globally and can absorb radiation, contributing to a warmer and drier atmosphere. Direct on-line measurements of BC and hematite, an absorbing dust aerosol, can be made with the Single Particle Soot Photometer (SP2), which measures the mass of the particles by incandescence on an individual particle basis. Measurements from the SP2 are combined with absorption measurements from the three-wavelength photoacoustic soot spectrometer (PASS-3) at 405, 532, and 781 nm and the ultraviolet photoacoustic soot spectrometer (PASS-UV) at 375 nm to determine wavelength-dependent mass absorption coefficients (MACs). Laboratory aerosol samples include flame-generated soot, fullerene soot, Aquadag, hematite, and hematite-containing dusts. Measured BC MAC's compare well with published values, and hematite MAC's are an order of magnitude less than BC. Absorbing aerosols measured in the laboratory are compared with those from ambient aerosols measured during the Las Conchas fire and BEACHON-RoMBAS. The Las Conchas fire was a wildfire in the Jemez Mountains of New Mexico that burned over 100,000 acres during the Summer of 2011, and BEACHON-RoMBAS (Bio-hydro-atmosphere interactions of Energy, Aerosols, Carbon, H2O, Organics & Nitrogen - Rocky Mountain Biogenic Aerosol Study) is a field campaign focusing on biogenic aerosols at the Manitou Forest Observatory near Colorado Springs, CO in Summer 2011. Optical properties and size

Direct approaches to nitriles via highly efficient nitrogenation strategy through C-H or C-C bond cleavage.

Science.gov (United States)

Wang, Teng; Jiao, Ning

2014-04-15

Because of the importance of nitrogen-containing compounds in chemistry and biology, organic chemists have long focused on the development of novel methodologies for their synthesis. For example, nitrogen-containing compounds show up within functional materials, as top-selling drugs, and as bioactive molecules. To synthesize these compounds in a green and sustainable way, researchers have focused on the direct functionalization of hydrocarbons via C-H or C-C bond cleavage. Although researchers have made significant progress in the direct functionalization of simple hydrocarbons, direct C-N bond formation via C-H or C-C bond cleavage remains challenging, in part because of the unstable character of some N-nucleophiles under oxidative conditions. The nitriles are versatile building blocks and precursors in organic synthesis. Recently, chemists have achieved the direct C-H cyanation with toxic cyanide salts in the presence of stoichiometric metal oxidants. In this Account, we describe recent progress made by our group in nitrile synthesis. C-H or C-C bond cleavage is a key process in our strategy, and azides or DMF serve as the nitrogen source. In these reactions, we successfully realized direct nitrile synthesis using a variety of hydrocarbon groups as nitrile precursors, including methyl, alkenyl, and alkynyl groups. We could carry out C(sp(3))-H functionalization on benzylic, allylic, and propargylic C-H bonds to produce diverse valuable synthetic nitriles. Mild oxidation of C═C double-bonds and C≡C triple-bonds also produced nitriles. The incorporation of nitrogen within the carbon skeleton typically involved the participation of azide reagents. Although some mechanistic details remain unclear, studies of these nitrogenation reactions implicate the involvement of a cation or radical intermediate, and an oxidative rearrangement of azide intermediate produced the nitrile. We also explored environmentally friendly oxidants, such as molecular oxygen, to make our

14C-Methylenebisphenylisocyanate (14C-MDI). Study of absorption after single dermal and intradermal administration in rats

International Nuclear Information System (INIS)

Leibold, E.; Hoffmann, H.D.; Hildebrand, B.

1999-01-01

The absorption, distribution and excretion of radioactivity was studied in groups of four male Wistar rats following a single dermal and intradermal administration of 14 C- Methylenebisphenylisocyanate ( 14 C-MDI) at nominal dose levels of 4.0 and 0.4 mg/cm 2 for dermal administration and 0.4 mg/animal for intradermal administration. These dose levels nominally corresponded to 40 and 4.0 mg/animal for dermal administration. Considering the animal weights, dose levels corresponded to about 140 and 14 mg/kg body weight (dermal administration) and 1.4 mg/kg body weight (intradermal administration). In the experiments with dermal administration, animals were exposed for 8 hours and sacrificed 8, 24 or 120 h after beginning of exposure. In the experiment with intradermal administration, animals were sacrificed 120 h after treatment. After dermal administration of 14 C-MDI, mean recoveries of radioactivity from all dose groups were in the range from 97.86 to 108.07% of the total radioactivity administered. Generally, the largest proportion of radioactivity was found at the application site and dressing. The total amount of radioactivity absorbed (including excreta, cage wash, tissues/organs and carcass) increased with increasing sacrifice time. Dermal absorption was very low and quantitatively similar at both dose levels; maximally ca. 0.9 % of the applied radioactivity was absorbed. After intradermal administration of 14 C-MDI, the mean recovery of radioactivity was 100.90 % of the radioactivity administered. The largest proportion of radioactivity was found at the application site. The total amount of radioactivity absorbed (including excreta, cage wash, tissues/organs and carcass) amounted to about 26 % of the radioactivity applied. Irrespective of the mode of administration of 1 4C -MDI, concentrations of radioactivity in tissues and organs generally were below 1 μg Eq/g at 120 h after administration. In summary, the results of this study comparing systemic

A POPULATION OF WEAK METAL-LINE ABSORBERS SURROUNDING THE MILKY WAY

International Nuclear Information System (INIS)

Richter, Philipp; Charlton, Jane C.; Fangano, Alessio P. M.; Bekhti, Nadya Ben; Masiero, Joseph R.

2009-01-01

We report on the detection of a population of weak metal-line absorbers in the halo or nearby intergalactic environment of the Milky Way. Using high-resolution ultraviolet absorption-line spectra of bright quasars (QSO) obtained with the Space Telescope Imaging Spectrograph (STIS), along six sight lines we have observed unsaturated, narrow absorption in O I and Si II, together with mildly saturated C II absorption at high radial velocities (|v LSR | = 100-320 km s -1 ). The measured O I column densities lie in the range N(O I) 14 cm -2 implying that these structures represent Lyman limit Systems and sub-Lyman limit System with H I column densities between 10 16 and 3 x 10 18 cm -2 , thus below the detection limits of current 21 cm all-sky surveys of high-velocity clouds (HVCs). The absorbers apparently are not directly associated with any of the large high column density HVC complexes, but rather represent isolated, partly neutral gas clumps embedded in a more tenuous, ionized gaseous medium situated in the halo or nearby intergalactic environment of the Galaxy. Photoionization modeling of the observed low ion ratios suggests typical hydrogen volume densities of n H > 0.02 cm -3 and characteristic thicknesses of a several parsec down to subparsec scales. For three absorbers, metallicities are constrained in the range of 0.1-1.0 solar, implying that these gaseous structures may have multiple origins inside and outside the Milky Way. Using supplementary optical absorption-line data, we find for two other absorbers Ca II/O I column-density ratios that correspond to solar Ca/O abundance ratios. This finding indicates that these clouds do not contain significant amounts of dust. This population of low column density gas clumps in the circumgalactic environment of the Milky Way is indicative of the various processes that contribute to the circulation of neutral gas in the extended halos of spiral galaxies. These processes include the accretion of gas from the

A checkerboard selective absorber with excellent spectral selectivity

Energy Technology Data Exchange (ETDEWEB)

Yang, Liu, E-mail: optyang@zju.edu.cn [Centre for Optical and Electromagnetic Research, State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310058 (China); School of Electrical, Computer, and Engineering, Arizona State University, Tempe, Arizona 85287 (United States); Mo, Lei; Chen, Tuo [Centre for Optical and Electromagnetic Research, State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310058 (China); Department of Physics, Zhejiang University, Hangzhou 310027 (China); Forsberg, Erik [Centre for Optical and Electromagnetic Research, State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310058 (China); He, Sailing [Centre for Optical and Electromagnetic Research, State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310058 (China); Department of Electromagnetic Engineering, JORCEP, Roy Institute of Technology (KTH), S-100 44 Stockholm (Sweden)

2015-11-14

A selective absorber with excellent spectral selectivity is proposed and analyzed. The absorber is based on a germanium (Ge) checkerboard on top of a tantalum (Ta) substrate. At wavelengths shorter than the 1.2 μm cutoff, a very high absorption is achieved due to strong cavity resonances in the Ge nanosquares, and their interactions with adjacent nanocavities and the bottom Ta substrate. At longer wavelengths, absorption is greatly suppressed due to destructive interference between the transparent checkerboard layer and the highly reflective Ta substrate. To better describe the superior selectivity of our configuration, a new figure of merit (FOM) is introduced. We observe a FOM value of 0.88 compared to 0.69 for its planar counterpart. We also conduct a thermal analysis to verify the excellent selectivity of our absorber. A high temperature can be achieved and maintained, promising good potential for applications in solar thermophotovoltaic systems.

Study on the plasma reaction process of hydroxyl generation by strong electric field ionization discharge

International Nuclear Information System (INIS)

Bai Mindi; Deng Shufang; Bai Xiyao; Zhang Zhitao

2004-01-01

Considering the change in the structure of reaction room, dielectric materials and process technology, authors have specifically studied the plasma reaction process of creating hydroxyl radical OH * and e aq - from ionization of O 2 and H 2 O through a strong electric field discharge. The production volume of hydroxyl radical OH * is up to the project application level, and process technology meets the 12 laws of green chemistry, free from environmental pollution from the source. The authors have emphatically researched on the green method of flue gas desulfurization, which will ionize SO 2 , H 2 O and O 2 in the flue gas to synthesis H 2 SO 4 in molecular level within 0.8 s without absorbent and catalyst. (author)

An experimental study of an energy absorbing restrainer for piping systems

International Nuclear Information System (INIS)

Sone, A.; Suzuki, K.

1989-01-01

Recently, in the seismic design methodology of the piping systems in nuclear power plants, new and improved design criteria and calculation techniques which will lead to more reliable and cost saving design products have been investigated. For instance, problems for reducing the snubbers in nuclear power plants which provide high costs for their inspections and maintenances and related flexible design problems for the dynamic piping systems have been investigated. Thus, in order to replace snubbers, various types of alternative supporting devices such as dynamic absorbers, gapped support and energy absorbing support devices have been proposed. A number of energy absorbing restrainers have been designed in Japan and United-States by allowing yield to occur during strong earthquakes. Advantages and disadvantages of these restrainers were examined analytically and experimentally. In order to overcome the disadvantages, the authors introduced new absorbing material LSPZ (laminated super plastic zinc) in which SPZ is expected to have reliable ductility and also efficient energy absorbability still under the normal temperature condition. This paper is devoted to an experimental works for this updated absorbing restrainer

Redox-neutral rhodium-catalyzed C-H functionalization of arylamine N-oxides with diazo compounds: primary C(sp(3))-H/C(sp(2))-H activation and oxygen-atom transfer.

Science.gov (United States)

Zhou, Bing; Chen, Zhaoqiang; Yang, Yaxi; Ai, Wen; Tang, Huanyu; Wu, Yunxiang; Zhu, Weiliang; Li, Yuanchao

2015-10-05

An unprecedented rhodium(III)-catalyzed regioselective redox-neutral annulation reaction of 1-naphthylamine N-oxides with diazo compounds was developed to afford various biologically important 1H-benzo[g]indolines. This coupling reaction proceeds under mild reaction conditions and does not require external oxidants. The only by-products are dinitrogen and water. More significantly, this reaction represents the first example of dual functiaonalization of unactivated a primary C(sp(3) )H bond and C(sp(2) )H bond with diazocarbonyl compounds. DFT calculations revealed that an intermediate iminium is most likely involved in the catalytic cycle. Moreover, a rhodium(III)-catalyzed coupling of readily available tertiary aniline N-oxides with α-diazomalonates was also developed under external oxidant-free conditions to access various aminomandelic acid derivatives by an O-atom-transfer reaction. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultra-thin, conformal, and hydratable color-absorbers using silk protein hydrogel

Science.gov (United States)

Umar, Muhammad; Min, Kyungtaek; Jo, Minsik; Kim, Sunghwan

2018-06-01

Planar and multilayered photonic devices offer unprecedented opportunities in biological and chemical sensing due to strong light-matter interactions. However, uses of rigid substances such as semiconductors and dielectrics confront photonic devices with issues of biocompatibility and a mechanical mismatch for their application on humid, uneven, and soft biological surfaces. Here, we report that favorable material traits of natural silk protein led to the fabrication of an ultra-thin, conformal, and water-permeable (hydratable) metal-insulator-metal (MIM) color absorber that was mapped on soft, curved, and hydrated biological interfaces. Strong absorption was induced in the MIM structure and could be tuned by hydration and tilting of the sample. The transferred MIM color absorbers reached the exhibition of a very strong resonant absorption in the visible and near infra-red ranges. In addition, we demonstrated that the conformal resonator could function as a refractometric glucose sensor applied on a contact lens.

Compositional, structural and mechanical characteristics of nc-TiC/a-C:H nanocomposite films

International Nuclear Information System (INIS)

Wang Yaohui; Zhang Xu; Wu Xianying; Zhang Huixing; Zhang Xiaoji

2008-01-01

Nanocomposite nc-TiC/a-C:H films, with an unusual combination of superhardness, high elastic modulus and high elastic recovery, are prepared by filtered cathodic vacuum arc technique using the C 2 H 2 gas as the precursor. The effects of filter coil current on compositional, structural and mechanical properties of the nc-TiC/a-C:H films have been investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), energy disperse spectroscopy (EDS), microindentation and tribotester measurements. XPS and Raman analyses show that composition and nanostructure of the nc-TiC/a-C:H films can be changed by varying the filter coil current. By selecting the proper value of filter coil current, 2.5 A, one can remarkably enhance the mechanical properties of films such as superhardness (43.6 GPa). The superhardness can be ascribed to the phase variation and the nanostructure.

Primary ethynamines (HC similarly ordered CNH2, PhC similarly ordere CNH2), aminopropadienone (H2NCH=C=C=O), and imidoylketene (NH=CHCH=C=O). Preparation and identification of molecules of cosmochemical interest

International Nuclear Information System (INIS)

Wentrup, C.; Briehl, H.; Lorencak, P.; Vogelbacher, U.J.; Winter, H.W.; Maquestiau, A.; Flammang, R.

1988-01-01

Ethynamine (HC similarly ordered CNH 2 ) has been prepared from three different precursors by flash vacuum pyrolysis (FVP) and observed by low-temperature infrared spectroscopy for the first time. The collision activation mass spectra (CAMS) strongly support the assignments. The Meldrum's acid derivative also gives rise to equilibrating imidoylketene and aminopropadienone observable by both IR and CAMS. Ethynamine isomerizes in part to acetonitrile in the gas phase but polymerizes in the solid state between -70 and -50 0 C. Both ketene imine (H 2 C=C=NH) and acrylonitrile are formed on FVP of 3-hydroxypropionitrile. 2-Phenylethynamine (PhC similarly ordered CNH 2 ) is readily produced by FVP of the isoxazolone

Molecular and crystal structure of nido-9-C5H5N-11-I-7,8-C2B9H10: supramolecular architecture via hydrogen bonding X-H...I (X = B, C)

International Nuclear Information System (INIS)

Polyanskaya, T.M.

2006-01-01

A monocrystal X-ray diffraction study of a new iodine-containing cluster compound 9-(pyridine)-11-iodo-decahydro-7,8-dicarba-nido-undecaborane [9-C 5 H 5 N-11-I-7,8-C 2 B 9 H 10 ] has been performed. Crystal data: C 7 H 15 B 9 NI, M = 337.39, monoclinic, space group P2 1 /c, unit cell parameters: a=9.348(1) A, b=11.159(1) A, c=13.442(2) A, β=98.13(1) deg, V=1388.1(5) A 3 , Z=4, d calc = 1.614 g/cm 3 , T = 295 K, F(000)=648, μ=2.276 mm -1 . The structure was solved by a direct method and refined in the full-matrix anisotropic approximation (isotropic for hydrogen atoms) to final agreement factors R 1 = 0.0254, wR 2 = 0.0454 for 2437 I hkl >2σ I from 3590 measured I hkl (an Enraf-Nonius CAD-4 diffractometer, λMoK α , graphite monochromator, θ/2θ-scanning). The molecules are joined into a supramolecular assembly by hydrogen bonds X-H...I (X = B, C) [ru

Absorber Model for CO2 Capture by Monoethanolamine

DEFF Research Database (Denmark)

Faramarzi, Leila; Kontogeorgis, Georgios; Michelsen, Michael Locht

2010-01-01

The rate-based steady-state model proposed by Gabrielsen et al. (Gabrielsen, J.; Michelsen, M. L.; Kontogeorgis, G. M.; Stenby, E. H. AIChE J. 2006, 52, 10, 3443-3451) for the design of the CO2-2-amino-2-methylpropanol absorbers is adopted and improved for the design of the CO2-monoethanolamine......, and their impact on the model's prediction is compared. The model has been successfully applied to CO2 absorber packed columns and validated against pilot plant data with good agreement....

The synthesis of Org 3770 labelled with 3H, 13C and 14C

International Nuclear Information System (INIS)

Kaspersen, F.M.; Rooij, F.A.M. van; Sperling, E.G.M.; Wieringa, J.H.

1989-01-01

The syntheses of 1,2,3,4,10,14b-hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benazepine (Org 3770) labelled with 3 H (and 2 H), 13 C and 14 C are described. Tritiated Org 3770 was prepared either by exchange under alkaline conditions with tritiated water or catalytic reductive dehalogenation of a chloro analogue with 3 H 2 . 13 C-labelled material was obtained in a seven-step synthesis starting from 13 C-labelled benzene whereas 14 C-Org 3770 was prepared in a three-step synthesis starting with 14 CO 2 . All labelled compounds were analyzed by TLC, HPLC, MS and NMR. (author)

Quantitative accuracy of the simplified strong ion equation to predict serum pH in dogs.

Science.gov (United States)

Cave, N J; Koo, S T

2015-01-01

Electrochemical approach to the assessment of acid-base states should provide a better mechanistic explanation of the metabolic component than methods that consider only pH and carbon dioxide. Simplified strong ion equation (SSIE), using published dog-specific values, would predict the measured serum pH of diseased dogs. Ten dogs, hospitalized for various reasons. Prospective study of a convenience sample of a consecutive series of dogs admitted to the Massey University Veterinary Teaching Hospital (MUVTH), from which serum biochemistry and blood gas analyses were performed at the same time. Serum pH was calculated (Hcal+) using the SSIE, and published values for the concentration and dissociation constant for the nonvolatile weak acids (Atot and Ka ), and subsequently Hcal+ was compared with the dog's actual pH (Hmeasured+). To determine the source of discordance between Hcal+ and Hmeasured+, the calculations were repeated using a series of substituted values for Atot and Ka . The Hcal+ did not approximate the Hmeasured+ for any dog (P = 0.499, r(2) = 0.068), and was consistently more basic. Substituted values Atot and Ka did not significantly improve the accuracy (r(2) = 0.169 to <0.001). Substituting the effective SID (Atot-[HCO3-]) produced a strong association between Hcal+ and Hmeasured+ (r(2) = 0.977). Using the simplified strong ion equation and the published values for Atot and Ka does not appear to provide a quantitative explanation for the acid-base status of dogs. Efficacy of substituting the effective SID in the simplified strong ion equation suggests the error lies in calculating the SID. Copyright © 2015 The Authors. Journal of Veterinary Internal Medicine published by Wiley Periodicals, Inc. on behalf of the American College of Veterinary Internal Medicine.

Absorbed dose to mice in prolonged irradiation by low-dose rate ionizing radiation

Energy Technology Data Exchange (ETDEWEB)

Shiragai, Akihiro [National Inst. of Radiological Sciences, Chiba (Japan); Saitou, Mikio; Kudo, Iwao [and others

2000-07-01

In this paper, the dose absorbed by mice was evaluated as a preliminary study of the late effects of prolonged continuous irradiation of mice with low-dose rate ionizing radiation. Eight-week-old male and female SPF C3H/HeN mice in three irradiation rooms were exposed to irradiation at 8000, 400, and 20 mGy, respectively, using a {sup 137}Cs {gamma}-source. Nine racks were arranged in a circle approximately 2.5 m from the source in each room, and 10 cages were arranged on the 4 shelves of each rack. Dose distributions, such as in air at the source level, in the three rooms were estimated by using ionization chambers, and the absorbed dose distributions in the room and relative dose distributions in the cages in relation to the distance of the cage center were examined. The mean abdomen doses of the mice measured by TLD were compared with the absorbed doses in the cages. The absorbed dose distributions showed not only inverse-inverse-square-law behavior with distance from the source, but geometric symmetry in every room. The inherent scattering and absorption in each room are responsible for such behavior and asymmetry. Comparison of relative dose distributions revealed cage positions that are not suitable for experiments with high precision doses, but all positions can be used for prolonged continuous irradiation experiments if the position of the cages is rotated regularly. The mean abdomen doses of the mice were similar in each cage. The mean abdomen doses of the mice and the absorbed doses in a cage were almost the same in all cages. Except for errors concerning the positions of the racks and cages, the uncertainties in the exposure doses were estimated to be about {+-}12% for 8000 mGy group, 17% for 400 mGy group, and 35% for 20 mGy group. (K.H.)

Breakdown of the Coulomb friction law in TiC/a-C : H nanocomposite coatings

NARCIS (Netherlands)

Pei, Y.T.; Huizenga, P.; Galvan, D.; Hosson, J.Th.M. De

2006-01-01

Advanced TiC/a-C:H nanocomposite coatings have been produced via reactive deposition in a closed-field unbalanced magnetron sputtering system (Hauzer HTC-1000 or HTC 1200). In this paper, we report on the tribological behavior of TiC/a-C:H nanocomposite coatings in which ultralow friction is

Aging of oxygen and hydrogen plasma discharge treated a-C:H and ta-C coatings

Energy Technology Data Exchange (ETDEWEB)

Bachmann, Svenja [Physics of Surfaces, Institute of Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Str. 16, 64287 Darmstadt (Germany); BMW Group, Hufelandstraße 4, 80788 Munich (Germany); Schulze, Marcus [Physics of Surfaces, Institute of Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Str. 16, 64287 Darmstadt (Germany); Center of Smart Interfaces, Technische Universität Darmstadt, Alarich-Weiss-Str. 10, 64287 Darmstadt (Germany); Morasch, Jan [Institute of Materials Science, Technische Universität Darmstadt, Surface Science Division, Jovanka-Bonschits-Straße 2, 64287 Darmstadt (Germany); Hesse, Sabine [Physics of Surfaces, Institute of Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Str. 16, 64287 Darmstadt (Germany); Center of Smart Interfaces, Technische Universität Darmstadt, Alarich-Weiss-Str. 10, 64287 Darmstadt (Germany); Hussein, Laith [Eduard-Zintl-Institut, Department of Chemistry, Technische Universität Darmstadt, Alarich-Weiss-Str. 12, 64287, Darmstadt (Germany); Krell, Lisa; Schnagl, Johann [BMW Group, Hufelandstraße 4, 80788 Munich (Germany); Stark, Robert W. [Physics of Surfaces, Institute of Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Str. 16, 64287 Darmstadt (Germany); Center of Smart Interfaces, Technische Universität Darmstadt, Alarich-Weiss-Str. 10, 64287 Darmstadt (Germany); and others

2016-05-15

Highlights: • The water CA of O{sub 2} and H{sub 2} plasma treated a-C:H and ta-C changes from hydrophillic to hydrophobic on aging. • XPS study indicates that the decrease in surface energy of plasma treated a-C:H and ta-C could be due to adsorption of organic component from air. • The COFLFM of O{sub 2} and H{sub 2} plasma treated a-C:H and ta-C decreased upon aging. • The COF of glycerol lubricated ta-C showed no sign of change upon aging. - Abstract: Surface modification with gas plasma is an efficient and easy way to improve the surface energy and the tribological behavior of diamond-like carbon (DLC) coatings, e.g., in biomedical implants or as protective coatings. However, the long-term performance of the plasma treated DLC coatings is not fully clear. We thus studied the long-term stability of two kinds of DLC coatings, namely (a) hydrogenated amorphous carbon (a-C:H) and (b) tetrahedral amorphous carbon (ta-C) treated at different radio frequency (RF) power and time of oxygen (O{sub 2}) and hydrogen (H{sub 2}) plasma. Their surface properties, e.g. surface wettability, structure and tribological behavior, were studied at regular intervals for a period of two months using contact angle goniometer, Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), lateral force microscopy (LFM) and ball on disc apparatus. The surface energy of both the coatings decreased upon aging. The higher the RF power and time of treatment, the higher was the hydrophobicity upon aging. XPS analysis showed that the increase in hydrophobicity could be due to adsorption of unavoidable volatile organic components in the atmosphere. The H{sub 2} plasma treated ta-C was capable of rearranging its structural bonds upon aging. The nano-friction measurements by LFM showed that the coefficient of friction of plasma treated a-C:H and ta-C decreased upon aging. The results indicate that the surface properties of plasma treated a‐C:H and ta‐C are not stable on long-term and are

Alkane Activation at Ambient Temperatures: Unusual Selectivities, C-C, C-H Bond Scission versus C-C Bond Coupling

NARCIS (Netherlands)

Trionfetti, C.; Agiral, A.; Gardeniers, Johannes G.E.; Lefferts, Leonardus; Seshan, Kulathuiyer

2008-01-01

Activating bonds: A cold plasma generated by dielectric barrier discharge in a microreactor converts alkanes (C1–C3) at atmospheric pressure. Large amounts of products with higher molecular weight than the starting hydrocarbons are observed showing that C-H activation at lower T favourably leads to

Multiscale investigation of graphene layers on 6H-SiC(000-1

Directory of Open Access Journals (Sweden)

Hiebel Fanny

2011-01-01

Full Text Available Abstract In this article, a multiscale investigation of few graphene layers grown on 6H-SiC(000-1 under ultrahigh vacuum (UHV conditions is presented. At 100-μm scale, the authors show that the UHV growth yields few layer graphene (FLG with an average thickness given by Auger spectroscopy between 1 and 2 graphene planes. At the same scale, electron diffraction reveals a significant rotational disorder between the first graphene layer and the SiC surface, although well-defined preferred orientations exist. This is confirmed at the nanometer scale by scanning tunneling microscopy (STM. Finally, STM (at the nm scale and Raman spectroscopy (at the μm scale show that the FLG stacking is turbostratic, and that the domain size of the crystallites ranges from 10 to 100 nm. The most striking result is that the FLGs experience a strong compressive stress that is seldom observed for graphene grown on the C face of SiC substrates.

Absorbing Property of Multi-layered Short Carbon Fiber Absorbing Coating

OpenAIRE

Liu, Zhaohui; Tao, Rui; Ban, Guodong; Luo, Ping

2018-01-01

The radar absorbing coating was prepared with short carbon fiber asabsorbent and waterborne polyurethane (WPU) as matrix resin. The coating’s absorbing property was tested with vectornetwork analyzer, using aramid honeycomb as air layer which was matched withcarbon fiber coating. The results demonstrate that the single-layered carbonfiber absorbing coating presented relatively poor absorbing property when thelayer was thin, and the performance was slightly improved after the matched airlayer ...

Degradation of unglazed rough graphite-aluminium solar absorber surfaces in simulated acid and neutral rain

International Nuclear Information System (INIS)

Konttinen, P.; Lund, P.D.; Salo, T.

2005-01-01

Degradation mechanisms of unglazed solar absorber surfaces based on aluminium substrate were studied. Rough graphite-aluminium surfaces were total-immersion subjected to aerated and de-aerated simulated neutral and acid rain. Test conditions were based on calculated absorber stagnation temperature and global rain acidity measurements. Changes in optical properties, elemental composition and sample mass were examined by spectrometry, energy dispersive X-ray spectrometry and thermogravimetry, respectively. The absorbers exhibited almost no degradation at pH value of 3.5. At pH 5.5 alumina on the surface hydrated significantly degrading the optical properties of the surfaces severely in most cases. Therefore these absorber surfaces can not be recommended to be used in non-glazed applications if they are exposed to rain with pH exceeding ∼ 3.5-4.5. The total-immersion test needs to be developed further as the test results exhibited poor temperature and time dependency thus preventing accurate service lifetime estimates. Still, these tests were useful in determining favourable and non-favourable operating conditions for the absorber surfaces based on aluminium substrate. (author)

Electrically active defects in n-type 4H- and 6H-SiC

Energy Technology Data Exchange (ETDEWEB)

Doyle, J.P. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics]|[IBM Research Div., T.J. Watson Research Center, Yorktown Heights, NY (United States); Aboelfotoh, M.O. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics]|[North Carolina State Univ., Dept. of Materials Science and Engineering, Raleigh, NC (United States); Svensson, B.G. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics

1998-06-01

We have found that in 6H-SiC, irradiation induced defects can become mobile at temperatures as low as 200 C. Through isochronal and isothermal annealing a level at 0.51 eV below the conduction band (with a capture cross-section of 2 x 10{sup -14} cm{sup 2}), appears to disassociate through a first order process with an activation energy of 1.45 eV+/-0.1 eV. In 4H-SiC, we have observed two irradiation induced defects assigned the positions 0.62 eV and 0.68 eV below E{sub c} (with capture cross-sections of 4 x 10{sup -14} cm{sup 2} and 5 x 10{sup -15} cm{sup 2}, respectively) which are found to be unstable at room temperature with time. SIMS analysis indicates that in both 6H- and 4H-SiC the defect levels are not due to the incorporation of the transition metals Ti, V, or Cr. Additionally, in both polytypes of SiC that were examined, the defects are found to display acceptor-like behavior as no evidence of a Poole-Frenkel shift was observed during DLTS measurements. (orig.) 10 refs.

Making strong polyelectrolyte brushes pH-sensitive by incorporation of gold nanoparticles.

Science.gov (United States)

Boyaciyan, D; Krause, P; von Klitzing, R

2018-04-19

Doping polymer brushes with gold nanoparticles (AuNPs) results in composite materials with colorimetric sensor properties. The present paper addresses the effect of electrostatic particle-particle interaction and the effect of the polymer brush type on particle assembly formation within the polymer matrix. The prospect for long-term use as colorimetric sensors is tested. Therefore, two different types of brushes of pH-insensitive polymers, non-ionic poly(N-isopropylacrylamide) (PNIPAM) and cationic poly-[2-(methacryloyloxy)ethyl] trimethylammonium chloride (PMETAC), are studied. After incubation of the non-ionic PNIPAM brush in an aqueous suspension of AuNPs with a pH-sensitive carboxylic acid capping, hydrogen binding led to attachment of the AuNPs, but they were easily detached at high pH due to loss of the hydrogen binding. In contrast, the anionic AuNPs adhere well to cationic PMETAC brushes even after post-treatment at low pH where the charge density of the AuNPs is strongly reduced. Therefore, the PMETAC/AuNP composites were further tested with respect to their stability against pH variations and their impact for colorimetric sensors. Although the neat PMETAC brush is not pH-sensitive, after embedding pH-sensitive AuNPs, the PMETAC/AuNP composite becomes pH-sensitive in a reversible manner. This is detectable by the reversible shift of the plasmon band and the reversible thickness change of the composites by exposing them to different pH.

Self-assembly of highly efficient, broadband plasmonic absorbers for solar steam generation.

Science.gov (United States)

Zhou, Lin; Tan, Yingling; Ji, Dengxin; Zhu, Bin; Zhang, Pei; Xu, Jun; Gan, Qiaoqiang; Yu, Zongfu; Zhu, Jia

2016-04-01

The study of ideal absorbers, which can efficiently absorb light over a broad range of wavelengths, is of fundamental importance, as well as critical for many applications from solar steam generation and thermophotovoltaics to light/thermal detectors. As a result of recent advances in plasmonics, plasmonic absorbers have attracted a lot of attention. However, the performance and scalability of these absorbers, predominantly fabricated by the top-down approach, need to be further improved to enable widespread applications. We report a plasmonic absorber which can enable an average measured absorbance of ~99% across the wavelengths from 400 nm to 10 μm, the most efficient and broadband plasmonic absorber reported to date. The absorber is fabricated through self-assembly of metallic nanoparticles onto a nanoporous template by a one-step deposition process. Because of its efficient light absorption, strong field enhancement, and porous structures, which together enable not only efficient solar absorption but also significant local heating and continuous stream flow, plasmonic absorber-based solar steam generation has over 90% efficiency under solar irradiation of only 4-sun intensity (4 kW m(-2)). The pronounced light absorption effect coupled with the high-throughput self-assembly process could lead toward large-scale manufacturing of other nanophotonic structures and devices.

Hafnium as a prospective absorber for VVER-1000 reactors of Ukraine

International Nuclear Information System (INIS)

Afanas'ev, A.A.; Konotop, Yu.F.; Odejchuk, N.L.

2000-01-01

Nuclear-physical parameters of hafnium having in mind its use as an absorber, are considered. Technical aspects of Hf production are exposed. Use of B 4 C/Hf absorber is twice cheaper than a standard one

{sup 14}C urea breath test kit- an evaluation of a compact, cost-effective kit for the detection of H. pylori

Energy Technology Data Exchange (ETDEWEB)

Bellon, M.S. [Royal Adelaide Hospital, SA (Australia). Dept of Nuclear Medicine

1998-03-01

Full text: Helicobacter pylori infection of the gastric mucosa causes active chronic gastritis and peptic ulceration. Carbon-14 urea breath testing has been well documented in its ability to detect the presence of H. pylori. The aims of this study were to evaluate and refine the test to substantially reduce costs and improve its simplicity, availability and accuracy. We reviewed the results of 138 patients who underwent {sup 14}C urea breath testing for the detection of H. pylori utilising a kit developed at the Royal Adelaide Hospital. Modifications to the standard technique that were assessed included the relevance of buccal cleansing, single sample v multiple sampling, use of alternative CO{sub 2} absorbers and sampling techniques. In those patients with positive biopsy results, a test sensitivity of 100% was achieved. No buccal cleansing is necessary (45% oral contamination without brushing teeth v 41% with). A single breath sample only at 15 min resulted in 100% sensitivity. Alternative (cheaper and safer) CO{sub 2} absorbers such as KOH can be used. Based on these results, modifications to this well documented test have enabled us to substantially reduce costs, improve simplicity and safety and increase accuracy and availability of the test for the detection of Helicobacter pylori.

Quantified pH imaging with hyperpolarized (13) C-bicarbonate.

Science.gov (United States)

Scholz, David Johannes; Janich, Martin A; Köllisch, Ulrich; Schulte, Rolf F; Ardenkjaer-Larsen, Jan H; Frank, Annette; Haase, Axel; Schwaiger, Markus; Menzel, Marion I

2015-06-01

Because pH plays a crucial role in several diseases, it is desirable to measure pH in vivo noninvasively and in a spatially localized manner. Spatial maps of pH were quantified in vitro, with a focus on method-based errors, and applied in vivo. In vitro and in vivo (13) C mapping were performed for various flip angles for bicarbonate (BiC) and CO2 with spectral-spatial excitation and spiral readout in healthy Lewis rats in five slices. Acute subcutaneous sterile inflammation was induced with Concanavalin A in the right leg of Buffalo rats. pH and proton images were measured 2 h after induction. After optimizing the signal to noise ratio of the hyperpolarized (13) C-bicarbonate, error estimation of the spectral-spatial excited spectrum reveals that the method covers the biologically relevant pH range of 6 to 8 with low pH error (< 0.2). Quantification of pH maps shows negligible impact of the residual bicarbonate signal. pH maps reflect the induction of acute metabolic alkalosis. Inflamed, infected regions exhibit lower pH. Hyperpolarized (13) C-bicarbonate pH mapping was shown to be sensitive in the biologically relevant pH range. The mapping of pH was applied to healthy in vivo organs and interpreted within inflammation and acute metabolic alkalosis models. © 2014 Wiley Periodicals, Inc.

Correlations in the three-dimensional Lyman-alpha forest contaminated by high column density absorbers

Science.gov (United States)

Rogers, Keir K.; Bird, Simeon; Peiris, Hiranya V.; Pontzen, Andrew; Font-Ribera, Andreu; Leistedt, Boris

2018-05-01

Correlations measured in three dimensions in the Lyman-alpha forest are contaminated by the presence of the damping wings of high column density (HCD) absorbing systems of neutral hydrogen (H I; having column densities N(H I) > 1.6 × 10^{17} atoms cm^{-2}), which extend significantly beyond the redshift-space location of the absorber. We measure this effect as a function of the column density of the HCD absorbers and redshift by measuring three-dimensional (3D) flux power spectra in cosmological hydrodynamical simulations from the Illustris project. Survey pipelines exclude regions containing the largest damping wings. We find that, even after this procedure, there is a scale-dependent correction to the 3D Lyman-alpha forest flux power spectrum from residual contamination. We model this residual using a simple physical model of the HCD absorbers as linearly biased tracers of the matter density distribution, convolved with their Voigt profiles and integrated over the column density distribution function. We recommend the use of this model over existing models used in data analysis, which approximate the damping wings as top-hats and so miss shape information in the extended wings. The simple `linear Voigt model' is statistically consistent with our simulation results for a mock residual contamination up to small scales (|k| account for the effect of the highest column density absorbers on the smallest scales (e.g. |k| > 0.4 h Mpc^{-1} for small damped Lyman-alpha absorbers; HCD absorbers with N(H I) ˜ 10^{21} atoms cm^{-2}). However, these systems are in any case preferentially removed from survey data. Our model is appropriate for an accurate analysis of the baryon acoustic oscillations feature. It is additionally essential for reconstructing the full shape of the 3D flux power spectrum.

Magnetism of one-dimensional strongly repulsive spin-1 bosons with antiferromagnetic spin-exchange interaction

International Nuclear Information System (INIS)

Lee, J. Y.; Guan, X. W.; Batchelor, M. T.; Lee, C.

2009-01-01

We investigate magnetism and quantum phase transitions in a one-dimensional system of integrable spin-1 bosons with strongly repulsive density-density interaction and antiferromagnetic spin-exchange interaction via the thermodynamic Bethe ansatz method. At zero temperature, the system exhibits three quantum phases: (i) a singlet phase of boson pairs when the external magnetic field H is less than the lower critical field H c1 ; (ii) a ferromagnetic phase of atoms in the hyperfine state |F=1, m F =1> when the external magnetic field exceeds the upper critical field H c2 ; and (iii) a mixed phase of singlet pairs and unpaired atoms in the intermediate region H c1 c2 . At finite temperatures, the spin fluctuations affect the thermodynamics of the model through coupling the spin bound states to the dressed energy for the unpaired m F =1 bosons. However, such spin dynamics is suppressed by a sufficiently strong external field at low temperatures. Thus the singlet pairs and unpaired bosons may form a two-component Luttinger liquid in the strong coupling regime.

Transcriptional Response in Mouse Thyroid Tissue after 211At Administration: Effects of Absorbed Dose, Initial Dose-Rate and Time after Administration.

Directory of Open Access Journals (Sweden)

Nils Rudqvist

Full Text Available 211At-labeled radiopharmaceuticals are potentially useful for tumor therapy. However, a limitation has been the preferential accumulation of released 211At in the thyroid gland, which is a critical organ for such therapy. The aim of this study was to determine the effect of absorbed dose, dose-rate, and time after 211At exposure on genome-wide transcriptional expression in mouse thyroid gland.BALB/c mice were i.v. injected with 1.7, 7.5 or 100 kBq 211At. Animals injected with 1.7 kBq were killed after 1, 6, or 168 h with mean thyroid absorbed doses of 0.023, 0.32, and 1.8 Gy, respectively. Animals injected with 7.5 and 100 kBq were killed after 6 and 1 h, respectively; mean thyroid absorbed dose was 1.4 Gy. Total RNA was extracted from pooled thyroids and the Illumina RNA microarray platform was used to determine mRNA levels. Differentially expressed transcripts and enriched GO terms were determined with adjusted p-value 1.5, and p-value <0.05, respectively.In total, 1232 differentially expressed transcripts were detected after 211At administration, demonstrating a profound effect on gene regulation. The number of regulated transcripts increased with higher initial dose-rate/absorbed dose at 1 or 6 h. However, the number of regulated transcripts decreased with mean absorbed dose/time after 1.7 kBq 211At administration. Furthermore, similar regulation profiles were seen for groups administered 1.7 kBq. Interestingly, few previously proposed radiation responsive genes were detected in the present study. Regulation of immunological processes were prevalent at 1, 6, and 168 h after 1.7 kBq administration (0.023, 0.32, 1.8 Gy.

Sequence Variations in the Flagellar Antigen Genes fliC H25 and fliC H28 of Escherichia coli and Their Use in Identification and Characterization of Enterohemorrhagic E. coli (EHEC) O145:H25 and O145:H28

Science.gov (United States)

Beutin, Lothar; Delannoy, Sabine; Fach, Patrick

2015-01-01

Enterohemorrhagic E. coli (EHEC) serogroup O145 is regarded as one of the major EHEC serogroups involved in severe infections in humans. EHEC O145 encompasses motile and non-motile strains of serotypes O145:H25 and O145:H28. Sequencing the fliC-genes associated with the flagellar antigens H25 and H28 revealed the genetic diversity of the fliC H25 and fliC H28 gene sequences in E. coli. Based on allele discrimination of these fliC-genes real-time PCR tests were designed for identification of EHEC O145:H25 and O145:H28. The fliC H25 genes present in O145:H25 were found to be very similar to those present in E. coli serogroups O2, O100, O165, O172 and O177 pointing to their common evolution but were different from fliC H25 genes of a multiple number of other E. coli serotypes. In a similar way, EHEC O145:H28 harbor a characteristic fliC H28 allele which, apart from EHEC O145:H28, was only found in enteropathogenic (EPEC) O28:H28 strains that shared some common traits with EHEC O145:H28. The real time PCR-assays targeting these fliC H25[O145] and fliC H28[O145] alleles allow better characterization of EHEC O145:H25 and EHEC O145:H28. Evaluation of these PCR assays in spiked ready-to eat salad samples resulted in specific detection of both types of EHEC O145 strains even when low spiking levels of 1–10 cfu/g were used. Furthermore these PCR assays allowed identification of non-motile E. coli strains which are serologically not typable for their H-antigens. The combined use of O-antigen genotyping (O145wzy) and detection of the respective fliC H25[O145] and fliC H28[O145] allele types contributes to improve identification and molecular serotyping of E. coli O145 isolates. PMID:26000885

Diesel NO{sub x} reduction by plasma-regenerated absorbent beds

Science.gov (United States)

Wallman, P.H.; Vogtlin, G.E.

1998-02-10

Reduction of NO{sub x} from diesel engine exhaust by use of plasma-regenerated absorbent beds is described. This involves a process for the reduction of NO{sub x} and particulates from diesel engines by first absorbing NO{sub x} onto a solid absorbent bed that simultaneously acts as a physical trap for the particulate matter, and second regenerating said solid absorbent by pulsed plasma decomposition of absorbed NO{sub x} followed by air oxidation of trapped particulate matter. The absorbent bed may utilize all metal oxides, but the capacity and the kinetics of absorption and desorption vary between different materials, and thus the composition of the absorbent bed is preferably a material which enables the combination of NO{sub x} absorption capability with catalytic activity for oxidation of hydrocarbons. Thus, naturally occurring or synthetically prepared materials may be utilized, particularly those having NO{sub x} absorption properties up to temperatures around 400 C which is in the area of diesel engine exhaust temperatures. 1 fig.

MAGIICAT I. THE Mg II ABSORBER-GALAXY CATALOG

Energy Technology Data Exchange (ETDEWEB)

Nielsen, Nikole M.; Churchill, Christopher W. [New Mexico State University, Las Cruces, NM 88003 (United States); Kacprzak, Glenn G.; Murphy, Michael T., E-mail: nnielsen@nmsu.edu [Swinburne University of Technology, Victoria 3122 (Australia)

2013-10-20

We describe the Mg II Absorber-Galaxy Catalog, MAGIICAT, a compilation of 182 spectroscopically identified intermediate redshift (0.07 ≤ z ≤ 1.1) galaxies with measurements of Mg II λλ2796, 2803 absorption from their circumgalactic medium within projected distances of 200 kpc from background quasars. In this work, we present 'isolated' galaxies, which are defined as having no spectroscopically identified galaxy within a projected distance of 100 kpc and a line of sight velocity separation of 500 km s{sup –1}. We standardized all galaxy properties to the ΛCDM cosmology and galaxy luminosities, absolute magnitudes, and rest-frame colors to the B- and K-band on the AB system. We present galaxy properties and rest-frame Mg II equivalent width, W{sub r} (2796), versus galaxy redshift. The well-known anti-correlation between W{sub r} (2796) and quasar-galaxy impact parameter, D, is significant to the 8σ level. The mean color of MAGIICAT galaxies is consistent with an Sbc galaxy for all redshifts. We also present B- and K-band luminosity functions for different W{sub r} (2796) and redshift subsamples: 'weak absorbing' [W{sub r} (2796) < 0.3 Å], 'strong absorbing' [W{sub r} (2796) ≥ 0.3 Å], low redshift (z < (z)), and high redshift (z ≥ (z)), where (z) = 0.359 is the median galaxy redshift. Rest-frame color B – K correlates with M{sub K} at the 8σ level for the whole sample but is driven by the strong absorbing, high-redshift subsample (6σ). Using M{sub K} as a proxy for stellar mass and examining the luminosity functions, we infer that in lower stellar mass galaxies, Mg II absorption is preferentially detected in blue galaxies and the absorption is more likely to be weak.

Characterization of a n+3C/n−4H SiC heterojunction diode

Energy Technology Data Exchange (ETDEWEB)

Minamisawa, R. A.; Mihaila, A. [Department of Power Electronics, ABB Corporate Research Center, CH-5405 Baden-Dättwil (Switzerland); Farkas, I.; Hsu, C.-W.; Janzén, E. [Semiconductor Materials, IFM, Linköping University, SE-58183 Linköping (Sweden); Teodorescu, V. S. [National Institute of Material Physics, R-077125 Bucharest-Măgurele (Romania); Afanas' ev, V. V. [Semiconductor Physics Laboratory, KU Leuven, 3001 Leuven (Belgium); Rahimo, M. [ABB Semiconductors, Fabrikstrasse 3, CH-5600 Lenzburg (Switzerland)

2016-04-04

We report on the fabrication of n + 3C/n-4H SiC heterojunction diodes (HJDs) potentially promising the ultimate thermal stability of the junction. The diodes were systematically analyzed by TEM, X-ray diffraction, AFM, and secondary ion mass spectroscopy, indicating the formation of epitaxial 3C-SiC crystal on top of 4H-SiC substrate with continuous interface, low surface roughness, and up to ∼7 × 10{sup 17 }cm{sup −3} dopant impurity concentration. The conduction band off-set is about 1 V as extracted from CV measurements, while the valence bands of both SiC polytypes are aligned. The HJDs feature opening voltage of 1.65 V, consistent with the barrier height of about 1.5 eV extracted from CV measurement. We finally compare the electrical results of the n + 3C/n-4H SiC heterojunction diodes with those featuring Si and Ge doped anodes in order to evaluate current challenges involved in the fabrication of such devices.

Cluster-enhanced X-O-2 photochemistry (X=CH3I, C3H6, C6H12, and Xe)

NARCIS (Netherlands)

Baklanov, A.V.; Bogdanchikov, G.A.; Vidma, K.V.; Chestakov, D.A.; Parker, D.H.

2007-01-01

The effect of a local environment on the photodissociation of molecular oxygen is investigated in the van der Waals complex X-O-2 (X=CH3I, C3H6, C6H12, and Xe). A single laser operating at wavelengths around 226 nm is used for both photodissociation of the van der Waals complex and simultaneous

Metal-free oxidative olefination of primary amines with benzylic C-H bonds through direct deamination and C-H bond activation.

Science.gov (United States)

Gong, Liang; Xing, Li-Juan; Xu, Tong; Zhu, Xue-Ping; Zhou, Wen; Kang, Ning; Wang, Bin

2014-09-14

An oxidative olefination reaction between aliphatic primary amines and benzylic sp(3) C-H bonds has been achieved using N-bromosuccinimide as catalyst and tert-butyl hydroperoxide as oxidant. The olefination proceeds under mild metal-free conditions through direct deamination and benzylic C-H bond activation, and provides easy access to biologically active 2-styrylquinolines with (E)-configuration.

MrkH, a novel c-di-GMP-dependent transcriptional activator, controls Klebsiella pneumoniae biofilm formation by regulating type 3 fimbriae expression.

Directory of Open Access Journals (Sweden)

Jonathan J Wilksch

2011-08-01

Full Text Available Klebsiella pneumoniae causes significant morbidity and mortality worldwide, particularly amongst hospitalized individuals. The principle mechanism for pathogenesis in hospital environments involves the formation of biofilms, primarily on implanted medical devices. In this study, we constructed a transposon mutant library in a clinical isolate, K. pneumoniae AJ218, to identify the genes and pathways implicated in biofilm formation. Three mutants severely defective in biofilm formation contained insertions within the mrkABCDF genes encoding the main structural subunit and assembly machinery for type 3 fimbriae. Two other mutants carried insertions within the yfiN and mrkJ genes, which encode GGDEF domain- and EAL domain-containing c-di-GMP turnover enzymes, respectively. The remaining two isolates contained insertions that inactivated the mrkH and mrkI genes, which encode for novel proteins with a c-di-GMP-binding PilZ domain and a LuxR-type transcriptional regulator, respectively. Biochemical and functional assays indicated that the effects of these factors on biofilm formation accompany concomitant changes in type 3 fimbriae expression. We mapped the transcriptional start site of mrkA, demonstrated that MrkH directly activates transcription of the mrkA promoter and showed that MrkH binds strongly to the mrkA regulatory region only in the presence of c-di-GMP. Furthermore, a point mutation in the putative c-di-GMP-binding domain of MrkH completely abolished its function as a transcriptional activator. In vivo analysis of the yfiN and mrkJ genes strongly indicated their c-di-GMP-specific function as diguanylate cyclase and phosphodiesterase, respectively. In addition, in vitro assays showed that purified MrkJ protein has strong c-di-GMP phosphodiesterase activity. These results demonstrate for the first time that c-di-GMP can function as an effector to stimulate the activity of a transcriptional activator, and explain how type 3 fimbriae

{sup 14}C-Methylenebisphenylisocyanate ({sup 14}C-MDI). Study of absorption after single dermal and intradermal administration in rats

Energy Technology Data Exchange (ETDEWEB)

Leibold, E.; Hoffmann, H.D.; Hildebrand, B

1999-07-01

The absorption, distribution and excretion of radioactivity was studied in groups of four male Wistar rats following a single dermal and intradermal administration of {sup 14}C- Methylenebisphenylisocyanate ({sup 14}C-MDI) at nominal dose levels of 4.0 and 0.4 mg/cm{sup 2} for dermal administration and 0.4 mg/animal for intradermal administration. These dose levels nominally corresponded to 40 and 4.0 mg/animal for dermal administration. Considering the animal weights, dose levels corresponded to about 140 and 14 mg/kg body weight (dermal administration) and 1.4 mg/kg body weight (intradermal administration). In the experiments with dermal administration, animals were exposed for 8 hours and sacrificed 8, 24 or 120 h after beginning of exposure. In the experiment with intradermal administration, animals were sacrificed 120 h after treatment. After dermal administration of {sup 14}C-MDI, mean recoveries of radioactivity from all dose groups were in the range from 97.86 to 108.07% of the total radioactivity administered. Generally, the largest proportion of radioactivity was found at the application site and dressing. The total amount of radioactivity absorbed (including excreta, cage wash, tissues/organs and carcass) increased with increasing sacrifice time. Dermal absorption was very low and quantitatively similar at both dose levels; maximally ca. 0.9 % of the applied radioactivity was absorbed. After intradermal administration of {sup 14}C-MDI, the mean recovery of radioactivity was 100.90 % of the radioactivity administered. The largest proportion of radioactivity was found at the application site. The total amount of radioactivity absorbed (including excreta, cage wash, tissues/organs and carcass) amounted to about 26 % of the radioactivity applied. Irrespective of the mode of administration of 1{sup 4C}-MDI, concentrations of radioactivity in tissues and organs generally were below 1 {mu}g Eq/g at 120 h after administration. In summary, the results of this

Permafrost thaw strongly reduces allowable CO2 emissions for 1.5°C and 2°C

Science.gov (United States)

Kechiar, M.; Gasser, T.; Kleinen, T.; Ciais, P.; Huang, Y.; Burke, E.; Obersteiner, M.

2017-12-01

We quantify how the inclusion of carbon emission from permafrost thaw impacts the budgets of allowable anthropogenic CO2 emissions. We use the compact Earth system model OSCAR v2.2 which we expand with a permafrost module calibrated to emulate the behavior of the complex models JSBACH, ORCHIDEE and JULES. When using the "exceedance" method and with permafrost thaw turned off, we find budgets very close to the CMIP5 models' estimates reported by IPCC. With permafrost thaw turned on, the total budgets are reduced by 3-4%. This corresponds to a 33-45% reduction of the remaining budget for 1.5°C, and a 9-13% reduction for 2°C. When using the "avoidance" method, however, permafrost thaw reduces the total budget by 3-7%, which corresponds to reductions by 33-56% and 56-79% of the remaining budget for 1.5°C and 2°C, respectively. The avoidance method relies on many scenarios that actually peak below the target whereas the exceedance method overlooks the carbon emitted by thawed permafrost after the temperature target is reached, which explains the difference. If we use only the subset of scenarios in which there is no net negative emissions, the permafrost-induced reduction in total budgets rises to 6-15%. Permafrost thaw therefore makes the emission budgets strongly path-dependent. We also estimate budgets of needed carbon capture in scenarios overshooting the temperature targets. Permafrost thaw strongly increases these capture budgets: in the case of a 1.5°C target overshot by 0.5°C, which is in line with the Paris agreement, about 30% more carbon must be captured. Our conclusions are threefold. First, inclusion of permafrost thaw systematically reduces the emission budgets, and very strongly so if the temperature target is overshot. Second, the exceedance method, that is the only one that complex models can follow, only partially accounts for the effect of slow non-linear processes such as permafrost thaw, leading to overestimated budgets. Third, the newfound

Selection and characterization of new absorbents for carbon dioxide capture

Energy Technology Data Exchange (ETDEWEB)

Ma' mun, Sholeh

2005-09-01

-liquid equilibrium characteristics. The experimental and modelling study of the solubility of CO2 in aqueous AEEA is described in the second part of the thesis. From the VLE data, it is shown that AEEA does not only offer high absorption rate combined with high absorption capacity in terms of CO2 loading but also offers higher cyclic capacity and lower regeneration energy requirement for some cases studied compared to MEA. In addition, a VLE thermodynamic modelling of the aqueous AEEA solution was performed by use of a modified Deshmukh-Mather model (Deshmukh and Mather, 1981) as well as NMR analyses to determine the species distribution in the liquid phase as function of CO2 loading. A two-stage calculation was performed to model the VLE of the C02-AEEA-H20 system. The first stage of the calculation was the regression of the parameters involved in the temperature dependency of the chemical equilibrium constants without binary interaction parameters taken into account. As seen from the results, the model provides a very good representation of the experimental data over a range of temperatures from 40 to 120 C. The second regression of the VLE data was then performed to evaluate the binary interaction parameters i.e. the short-range terms in the Deshmukh-Mather model. However, only minor improvements in the overall fit were achieved. In the last part of the thesis, an experimental kinetic study of the CO2-AEEA-H2O system was performed using a string of disc contactor over a range of temperatures from 32 to 49 C for various concentrations of AEEA. The reaction mechanism used for interpretation of the kinetics was the single step and termolecular mechanism approach proposed by Crooks and Donnellan (1989) and reviewed by da Silva and Svendsen (2004). The results showed that the observed pseudo-first order rate constant is in good agreement with the equation proposed for this mechanism. In addition, the physical properties, density and viscosity, have been measured to determine the

Development of scientific and technological basis for the fabrication of thin film solar cells on the basis of a-Si:H and {mu}c-Si:H using the 'hot-wire' deposition technique. Final report; Entwicklung wissenschaftlicher und technischer Grundlagen fuer die Herstellung von Duennschichtsolarzellen auf der Basis des a-Si:H und {mu}c-Si:H mit der 'Hot-Wire'-Depositionstechnik. Abschlussbericht

Energy Technology Data Exchange (ETDEWEB)

Schroeder, B.

2002-01-22

Two new deposition systems were realized enabling the entire and respectively, large area deposition of a-Si:H based solar cells using the so called 'hot-wire' (HW) CVD. The deposition conditions for appropriate n- and p-doped a-Si:H and {mu}c-Si:H layers have been developed. For the first time in the world a-Si:H based pin solar cells were entirely deposited by the HWCVD method. A maximum initial conversion efficiency of {eta}{sub initial}=8.9% was obtained. After the development of a suitable p/n-tunnel/recombination junction pin-pin tandem structures with a-Si:H absorbers could be entirely fabricated by the HWCVD for the first time in the world, too. A conversion efficiency of {eta}=7% was measured for the tandem cell, after some structural degradation took place. In general, the stability of the HWCVD solar cells is not satisfactory, what could be attributed to a structural instability of the HWCVD-p-layers. For the first time we have deposited nip solar cells on stainless steel substrates entirely by HWCVD ({eta}{sub initial}>6%). The incorporation of {mu}c-Si:H absorber layers by HWCVD or ECWR-PECVD into pin solar cells was not successfull until now. Large area deposition of a-Si:H films has been performed in a simple vacuum vessel. Under consideration of appropriate filament and gas supply geometry as well as simulation calculations a good electronic quality and a film thickness uniformity of {delta}d={+-}2.5% of the material was obtained. i-layers for small area solar cells on an area of 20 x 20 cm{sup 2} have been deposited which could be completed to solar cells with very uniform conversion efficiencies of {eta}{sub initial} = 6,1{+-}0.2%. This result represents a proof of concept for the large area deposition of a-Si:H based solar cells using the HWCVD. Also for the first time the HWCVD was used for the deposition of emitter layers on c-Si-wafers to realize hetero solar cells. Hetero solar cells with amorphous, microcrystalline and epitaxial n

Thoron exhalation rate monitor with absorber

International Nuclear Information System (INIS)

Xiao Detao; Zhao Guizhi

2003-01-01

A measurement method of thoron exhalation rate is developed based on the characteristic of thorium C' which emits a α particle with higher energy than those of α particles released from radon and radon progenies. The principles of discriminating radon and realizing thoron exhalation rate measurement on the material surface with absorber, the passive and integrated thoron exhalation rate monitor studied, and its calibration coefficient determination method are introduced. The effectiveness of mitigating thoron exhalation rate of wall surface by depressurization inside wall and thoron exhalation rates on some materials surfaces were measured by using the studied monitors. The calibration coefficient of the studied monitor is R=0.246 cm -2 ·(kBq·m -3 ·h) -1 . The lower limit of detection is LLD=18.4 mBq·m -2 ·s -1 when the sampling period is 7 days and the standard deviation of background track densities of the adopted CR-39 SSNTD is s T =1.6 cm -2

Method for manufacture of neutron absorbing articles

International Nuclear Information System (INIS)

Owens, D.

1980-01-01

A one-step curing method for the manufacture of a neutron absorbing article which comprises irreversibly curing, in desired article form, a form-retaining mixture of boron carbide particles, curable phenolic resin in solid state and in particula te form and a minor proportion of a liquid medium, which boils at a temperature below 200*c., at an elevated temperature so as to obtain bonding of the irreversibly cured phenolic polymer resulting to the boron carbide particles and production of the neutron absorbing article in desired form

A chemometric-assisted method for the simultaneous determination of malachite green and crystal violet in water based on absorbance-pH data generated by a homemade pH gradient apparatus.

Science.gov (United States)

Yu, Shuling; Yuan, Xuejie; Yang, Jing; Yuan, Jintao; Shi, Jiahua; Wang, Yali; Chen, Yuewen; Gao, Shufang

2015-01-01

An attractive method of generating second-order data was developed by a dropping technique to generate pH gradient simultaneously coupled with diode-array spectrophotometer scanning. A homemade apparatus designed for the pH gradient. The method and the homemade apparatus were used to simultaneously determine malachite green (MG) and crystal violet (CV) in water samples. The absorbance-pH second-order data of MG or CV were obtained from the spectra of MG or CV in a series of pH values of HCl-KCl solution. The second-order data of mixtures containing MG and CV that coexisted with interferents were analyzed using multidimensional partial least-squares with residual bilinearization. The method and homemade apparatus were used to simultaneously determine MG and CV in fish farming water samples and in river ones with satisfactory results. The presented method and the homemade apparatus could serve as an alternative tool to handle some analysis problems. Copyright © 2015 Elsevier B.V. All rights reserved.

Radical C-H functionalization to construct heterocyclic compounds.

Science.gov (United States)

Yu, Jin-Tao; Pan, Changduo

2016-02-07

Heterocyclic compounds are widely present in natural products, pharmaceuticals and bioactive molecules. Thus, organic and pharmaceutical chemists have been making extensive efforts to construct those heterocyclic frameworks through developing versatile and efficient synthetic strategies. The direct C-H functionalization via the radical pathway has emerged as a promising and dramatic approach towards heterocycles with high atom- and step-economy. Heterocyclic compounds such as coumarins, furans, benzofurans, xanthones, benzothiazoles, indoles, indolines, oxindoles, quinolines, isoquinolines, quinoxaline, and phenanthridines have been successfully synthesized by C-H functionalization through the radical pathway. In this review, recent advances on radical C-H functionalization to construct heterocyclic compounds are highlighted with discussions.

C2H observations toward the Orion Bar

NARCIS (Netherlands)

Nagy, Z.; Ossenkopf, V.; Van der Tak, F. F. S.; Faure, A.; Makai, Z.; Bergin, E. A.

Context. The ethynyl radical (C2H) is one of the first radicals to be detected in the interstellar medium. Its higher rotational transitions have recently become available with the Herschel Space Observatory. Aims: We aim to constrain the physical parameters of the C2H emitting gas toward the Orion

Absorber Model: the Halo-like model for the Lyman-α forest

Science.gov (United States)

Iršič, Vid; McQuinn, Matthew

2018-04-01

We present a semi-analytic model for the Lyman-α forest that is inspired by the Halo Model. This model is built on the absorption line decomposition of the forest. Flux correlations are decomposed into those within each absorption line (the 1-absorber term) and those between separate lines (the 2-absorber term), treating the lines as biased tracers of the underlying matter fluctuations. While the nonlinear exponential mapping between optical depth and flux requires an infinite series of moments to calculate any statistic, we show that this series can be re-summed (truncating at the desired order in the linear matter overdensity). We focus on the z=2–3 line-of-sight power spectrum. Our model finds that 1-absorber term dominates the power on all scales, with most of its contribution coming from H I columns of 1014–1015 cm‑2, while the smaller 2-absorber contribution comes from lower columns that trace overdensities of a few. The prominence of the 1-absorber correlations indicates that the line-of-sight power spectrum is shaped principally by the lines' number densities and their absorption profiles, with correlations between lines contributing to a lesser extent. We present intuitive formulae for the effective optical depth as well as the large-scale limits of 1-absorber and 2-absorber terms, which simplify to integrals over the H I column density distribution with different equivalent-width weightings. With minimalist models for the bias of absorption systems and their peculiar velocity broadening, our model predicts values for the density bias and velocity gradient bias that are consistent with those found in simulations.

Multiple C-H Bond Activations and Ring-Opening C-S Bond Cleavage of Thiophene by Dirhenium Carbonyl Complexes.

Science.gov (United States)

Adams, Richard D; Dhull, Poonam; Tedder, Jonathan D

2018-06-14

The reaction of Re 2 (CO) 8 (μ-C 6 H 5 )(μ-H) (1) with thiophene in CH 2 Cl 2 at 40 °C yielded the new compound Re 2 (CO) 8 (μ-η 2 -SC 4 H 3 )(μ-H) (2), which contains a bridging σ-π-coordinated thienyl ligand formed by the activation of the C-H bond at the 2 position of the thiophene. Compound 2 exhibits dynamical activity on the NMR time scale involving rearrangements of the bridging thienyl ligand. The reaction of compound 2 with a second 1 equiv of 1 at 45 °C yielded the doubly metalated product [Re 2 (CO) 8 (μ-H)] 2 (μ-η 2 -2,3-μ-η 2 -4,5-C 4 H 2 S) (3), formed by the activation of the C-H bond at the 5 position of the thienyl ligand in 2. Heating 3 in a hexane solvent to reflux transformed it into the ring-opened compound Re(CO) 4 [μ-η 5 -η 2 -SCC(H)C(H)C(H)][Re(CO) 3 ][Re 2 (CO) 8 (μ-H)] (4) by the loss of one CO ligand. Compound 4 contains a doubly metalated 1-thiapentadienyl ligand formed by the cleavage of one of the C-S bonds. When heated to reflux (125 °C) in an octane solvent in the presence of H 2 O, the new compound Re(CO) 4 [η 5 -μ-η 2 -SC(H)C(H)C(H)C(H)]Re(CO) 3 (5) was obtained by cleavage of the Re 2 (CO) 8 (μ-H) group from 4 with formation of the known coproduct [Re(CO) 3 (μ 3 -OH)] 4 . All new products were characterized by single-crystal X-ray diffraction analyses.

Method of absorbing UF6 from gaseous mixtures in alkamine absorbents

International Nuclear Information System (INIS)

Lafferty, R.H.; Smiley, S.H.; Radimer, K.J.

1976-01-01

A method is described for recovering UF 6 from gaseous mixtures by absorption in a liquid. The liquid absorbent must have a relatively low viscosity and at least one component of the absorbent is an alkamine having less than 3 carbon atoms bonded to the amino nitrogen, less than 2 of the carbon atoms other than those bonded to the amino nitrogen are free of the hydroxy radical and precipitate the absorbed uranium from the absorbent. At least one component of the absorbent is chosen from the group consisting of ethanolamine, diethanolamine, and 3-methyl-3-amino-propane-diol-1,2

Reaction mechanisms at 4H-SiC/SiO2 interface during wet SiC oxidation

Science.gov (United States)

Akiyama, Toru; Hori, Shinsuke; Nakamura, Kohji; Ito, Tomonori; Kageshima, Hiroyuki; Uematsu, Masashi; Shiraishi, Kenji

2018-04-01

The reaction processes at the interface between SiC with 4H structure (4H-SiC) and SiO2 during wet oxidation are investigated by electronic structure calculations within the density functional theory. Our calculations for 4H-SiC/SiO2 interfaces with various orientations demonstrate characteristic features of the reaction depending on the crystal orientation of SiC: On the Si-face, the H2O molecule is stable in SiO2 and hardly reacts with the SiC substrate, while the O atom of H2O can form Si-O bonds at the C-face interface. Two OH groups are found to be at least necessary for forming new Si-O bonds at the Si-face interface, indicating that the oxidation rate on the Si-face is very low compared with that on the C-face. On the other hand, both the H2O molecule and the OH group are incorporated into the C-face interface, and the energy barrier for OH is similar to that for H2O. By comparing the calculated energy barriers for these reactants with the activation energies of oxide growth rate, we suggest the orientation-dependent rate-limiting processes during wet SiC oxidation.

Renewable Formate from C-H Bond Formation with CO2: Using Iron Carbonyl Clusters as Electrocatalysts.

Science.gov (United States)

Loewen, Natalia D; Neelakantan, Taruna V; Berben, Louise A

2017-09-19

promote C-H bond formation. Thermochemical insights into the disparate reactivities of these clusters were achieved through hydricity measurements using SEC. We found that only [H-Fe 4 N(CO) 12 ] - and its derivative [H-Fe 4 N(CO) 11 (PPh 3 )] - have hydricities modest enough to avoid H 2 production but strong enough to make formate. [H-Fe 4 C(CO) 12 ] 2- is a stronger hydride donor, theoretically capable of making formate, but due to an overwhelming thermodynamic driving force and the increased electrostatic attraction between the more negative cluster and H + , only H 2 is observed experimentally. This illustrates the fundamental importance of controlling thermochemistry when designing new catalysts selective for C-H bond formation and establishes a hydricity range of 15.5-24.1 or 44-49 kcal mol -1 where C-H bond formation may be favored in water or MeCN, respectively.

In situ study of binding of copper by fulvic acid: comparison of differential absorbance data and model predictions.

Science.gov (United States)

Yan, Mingquan; Dryer, Deborah; Korshin, Gregory V; Benedetti, Marc F

2013-02-01

This study examined the binding of copper(II) by Suwannee River fulvic acid (SRFA) using the method of differential absorbance that was used at environmentally-relevant concentrations of copper and SRFA. The pH- and metal-differential spectra were processed via numeric deconvolution to establish commonalities seen in the changes of absorbance caused by deprotonation of SRFA and its interactions with copper(II) ions. Six Gaussian bands were determined to be present in both the pH- and Cu-differential spectra. Their maxima were located, in the order of increasing wavelengths at 208 nm, 242 nm, 276 nm, 314 nm, 378 nm and 551 nm. The bands with these maxima were denoted as A0, A1, A2, A3, A4 and A5, respectively. Properties of these bands were compared with those existing in the spectra of model compounds such as sulfosalicylic acid (SSA), tannic acid (TA), and polystyrenesulfonic acid-co-maleic acid (PSMA). While none of the features observed in differential spectra of the model compound were identical to those present in the case of SRFA, Gaussian bands A1, A3 and possibly A2 were concluded to be largely attributable to a combination of responses of salicylic- and polyhydroxyphenolic groups. In contrast, bands A4 and A5 were detected in the differential spectra of SRFA only. Their nature remains to be elucidated. To examine correlations between the amount of copper(II) bound by SRFA and changes of its absorbance, differential absorbances measured at indicative wavelengths 250 nm and 400 nm were compared with the total amount of SRFA-bound copper estimated based on Visual MINTEQ calculations. This examination showed that the differential absorbances of SRFA in a wide range of pH values and copper concentrations were strongly correlated with the concentration of SRFA-bound copper. The approach presented in this study can be used to generate in situ information concerning the nature of functional groups in humic substances engaged in interactions with metals ions. This

Autophagy plays an important role in Sunitinib-mediated cell death in H9c2 cardiac muscle cells

International Nuclear Information System (INIS)

Zhao Yuqin; Xue Tao; Yang Xiaochun; Zhu Hong; Ding Xiaofei; Lou Liming; Lu Wei; Yang Bo; He Qiaojun

2010-01-01

Sunitinib, which is a multitargeted tyrosine-kinase inhibitor, exhibits antiangiogenic and antitumor activity, and extends survival of patients with metastatic renal-cell carcinoma (mRCC) and gastrointestinal stromal tumors (GIST). This molecule has also been reported to be associated with cardiotoxicity at a high frequency, but the mechanism is still unknown. In the present study, we observed that Sunitinib showed high anti-proliferative effect on H9c2 cardiac muscle cells measured by PI staining and the MTT assay. But apoptotic markers (PARP cleavage, caspase 3 cleavage and chromatin condensation) were uniformly negative in H9c2 cells after Sunitinib treatment for 48 h, indicating that another cell death pathway may be involved in Sunitinib-induced cardiotoxicity. Here we found Sunitinib dramatically increased autophagic flux in H9c2 cells. Acidic vesicle fluorescence and high expression of LC3-II in H9c2 cells identified autophagy as a Sunitinib-induced process that might be associated with cytotoxicity. Furthermore, knocking down Beclin 1 by RNA-interference to block autophagy in H9c2 cells revealed that the death rate was decreased when treated with Sunitinib in comparison to control cells. These results confirmed that autophagy plays an important role in Sunitinib-mediated H9c2 cells cytotoxicity. Taken together, the data presented here strongly suggest that autophagy is associated with Sunitinib-induced cardiotoxicity, and that inhibition of autophagy constitutes a viable strategy for reducing Sunitinib-induced cardiomyocyte death thereby alleviating Sunitinib cardiotoxicity.

Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)] and [Ca(C(5)H(8)N(2)O(7)P(2))(H(2)O)](n).

Science.gov (United States)

Freire, Eleonora; Vega, Daniel R; Baggio, Ricardo

2010-06-01

Diaquabis[dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-kappa(2)O,O']magnesium(II), [Mg(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)], consists of isolated dimeric units built up around an inversion centre and tightly interconnected by hydrogen bonding. The Mg(II) cation resides at the symmetry centre, surrounded in a rather regular octahedral geometry by two chelating zwitterionic zoledronate(1-) [or dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonate] anions and two water molecules, in a pattern already found in a few reported isologues where the anion is bound to transition metals (Co, Zn and Ni). catena-Poly[[aquacalcium(II)]-mu(3)-[hydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato]-kappa(5)O:O,O':O',O''], [Ca(C(5)H(8)N(2)O(7)P(2))(H(2)O)](n), consists instead of a Ca(II) cation in a general position, a zwitterionic zoledronate(2-) anion and a coordinated water molecule. The geometry around the Ca(II) atom, provided by six bisphosphonate O atoms and one water ligand, is that of a pentagonal bipyramid with the Ca(II) atom displaced by 0.19 A out of the equatorial plane. These Ca(II) coordination polyhedra are ;threaded' by the 2(1) axis so that successive polyhedra share edges of their pentagonal basal planes. This results in a strongly coupled rhomboidal Ca(2)-O(2) chain which runs along [010]. These chains are in turn linked by an apical O atom from a -PO(3) group in a neighbouring chain. This O-atom, shared between chains, generates strong covalently bonded planar arrays parallel to (100). Finally, these sheets are linked by hydrogen bonds into a three-dimensional structure. Owing to the extreme affinity of zoledronic acid for bone tissue, in general, and with calcium as one of the major constituents of bone, it is expected that this structure will be useful in modelling some of the biologically interesting processes in which the drug takes part.

Sensitive detection of strong acidic condition by a novel rhodamine-based fluorescent pH chemosensor.

Science.gov (United States)

Tan, Jia-Lian; Yang, Ting-Ting; Liu, Yu; Zhang, Xue; Cheng, Shu-Jin; Zuo, Hua; He, Huawei

2016-05-01

A novel rhodamine-based fluorescent pH probe responding to extremely low pH values has been synthesized and characterized. This probe showed an excellent photophysical response to pH on the basis that the colorless spirocyclic structure under basic conditions opened to a colored and highly fluorescent form under extreme acidity. The quantitative relationship between fluorescence intensity and pH value (1.75-2.62) was consistent with the equilibrium equation pH = pKa + log[(Imax - I)/(I - Imin)]. This sensitive pH probe was also characterized with good reversibility and no interaction with interfering metal ions, and was successfully applied to image Escherichia coli under strong acidity. Copyright © 2015 John Wiley & Sons, Ltd.

Directed C-H Bond Oxidation of (+)-Pleuromutilin.

Science.gov (United States)

Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F; Murphy, Stephen K; Herzon, Seth B

2018-05-01

Antibiotics derived from the diterpene fungal metabolite (+)-pleuromutilin (1) are useful agents for the treatment Gram-positive infections in humans and farm animals. Pleuromutilins elicit slow rates of resistance development and minimal cross-resistance with existing antibiotics. Despite efforts aimed at producing new derivatives by semisynthesis, modification of the tricyclic core is underexplored, in part due to a limited number of functional group handles. Herein, we report methods to selectively functionalize the methyl groups of (+)-pleuromutilin (1) by hydroxyl-directed iridium-catalyzed C-H silylation, followed by Tamao-Fleming oxidation. These reactions provided access to C16, C17, and C18 monooxidized products, as well as C15/C16 and C17/C18 dioxidized products. Four new functionalized derivatives were prepared from the protected C17 oxidation product. C6 carboxylic acid, aldehyde, and normethyl derivatives were prepared from the C16 oxidation product. Many of these sequences were executed on gram scales. The efficiency and practicality of these routes provides an easy method to rapidly interrogate structure-activity relationships that were previously beyond reach. This study will inform the design of fully synthetic approaches to novel pleuromutilins and underscores the power of the hydroxyl-directed iridium-catalyzed C-H silylation reaction.

A dense and strong bonding collagen film for carbon/carbon composites

Energy Technology Data Exchange (ETDEWEB)

Cao, Sheng; Li, Hejun, E-mail: lihejun@nwpu.edu.cn; Li, Kezhi; Lu, Jinhua; Zhang, Leilei

2015-08-30

Graphical abstract: - Highlights: • Significantly enhancement of biocompatibility on C/C composites by preparing a collagen film. • The dense and continuous collagen film had a strong bonding strength with C/C composites after dehydrathermal treatment (DHT) crosslink. • Numerous oxygen-containing functional groups formed on the surface of C/C composites without matrix damage. - Abstract: A strong bonding collagen film was successfully prepared on carbon/carbon (C/C) composites. The surface conditions of the modified C/C composites were detected by contact angle measurements, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS) and Raman spectra. The roughness, optical morphology, bonding strength and biocompatibility of collagen films at different pH values were detected by confocal laser scanning microscope (CLSM), universal test machine and cytology tests in vitro. After a 4-h modification in 30% H{sub 2}O{sub 2} solution at 100 °C, the contact angle on the surface of C/C composites was decreased from 92.3° to 65.3°. Large quantities of hydroxyl, carboxyl and carbonyl functional groups were formed on the surface of the modified C/C composites. Then a dense and continuous collagen film was prepared on the modified C/C substrate. Bonding strength between collagen film and C/C substrate was reached to 8 MPa level when the pH value of this collagen film was 2.5 after the preparing process. With 2-day dehydrathermal treatment (DHT) crosslinking at 105 °C, the bonding strength was increased to 12 MPa level. At last, the results of in vitro cytological test showed that this collagen film made a great improvement on the biocompatibility on C/C composites.

A dense and strong bonding collagen film for carbon/carbon composites

International Nuclear Information System (INIS)

Cao, Sheng; Li, Hejun; Li, Kezhi; Lu, Jinhua; Zhang, Leilei

2015-01-01

Graphical abstract: - Highlights: • Significantly enhancement of biocompatibility on C/C composites by preparing a collagen film. • The dense and continuous collagen film had a strong bonding strength with C/C composites after dehydrathermal treatment (DHT) crosslink. • Numerous oxygen-containing functional groups formed on the surface of C/C composites without matrix damage. - Abstract: A strong bonding collagen film was successfully prepared on carbon/carbon (C/C) composites. The surface conditions of the modified C/C composites were detected by contact angle measurements, scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS) and Raman spectra. The roughness, optical morphology, bonding strength and biocompatibility of collagen films at different pH values were detected by confocal laser scanning microscope (CLSM), universal test machine and cytology tests in vitro. After a 4-h modification in 30% H 2 O 2 solution at 100 °C, the contact angle on the surface of C/C composites was decreased from 92.3° to 65.3°. Large quantities of hydroxyl, carboxyl and carbonyl functional groups were formed on the surface of the modified C/C composites. Then a dense and continuous collagen film was prepared on the modified C/C substrate. Bonding strength between collagen film and C/C substrate was reached to 8 MPa level when the pH value of this collagen film was 2.5 after the preparing process. With 2-day dehydrathermal treatment (DHT) crosslinking at 105 °C, the bonding strength was increased to 12 MPa level. At last, the results of in vitro cytological test showed that this collagen film made a great improvement on the biocompatibility on C/C composites

Synthesis and characterisation of pure C(-A)-S-H phases

International Nuclear Information System (INIS)

L'Hopital, E.; Lothenbach, B.; Le Saout, G.; Kulik, D.A.; Scrivener, K.

2015-01-01

The construction of nuclear power plants requires huge quantity of cement and the cement production generates about 8% of global man-made CO 2 emissions. One way of reducing the concrete's CO 2 contribution is to lower its CO 2 generation and energy consumption by a partial replacement of clinker with supplementary cementitious materials (SCMs). Common SCMs such as blast furnace slag or fly ash contain more silicon and aluminium than Portland cement, so that the hydrates formed are different than in Portland cements, which might affect the concrete mechanical properties. The most important phase formed during the reaction of Portland cement with water is calcium silicate hydrate, C-S-H. In the presence of SCMs, C-S-H can have different composition compared to C-S-H in Portland cements. The present work focuses on synthesis of pure C(-A)- S-H at a Ca/Si ratio equal to 1 in presence of different quantities of aluminium (Al/Si atomic ratio from 0 to 0.05) to determine the aluminium incorporation in C-S-H. The absence of any other solids and the low aluminium concentrations measured in the solution clearly showed an uptake of aluminium within the C-(A)-S-H phase. The presence of aluminium increased the interlayer distance, indicating an uptake of aluminium in the C-(A)-S-H structure. The uptake of aluminium was more pronounced at higher dissolved aluminium concentrations, consistent with the formation of a solid solution between C-S-H and C-A-S-H. The presence of aluminium led to a decrease of the calcium concentrations, while the silica and aluminium concentrations increased

Monte Carlo Simulation of Electron Transport in 4H- and 6H-SiC

International Nuclear Information System (INIS)

Sun, C. C.; You, A. H.; Wong, E. K.

2010-01-01

The Monte Carlo (MC) simulation of electron transport properties at high electric field region in 4H- and 6H-SiC are presented. This MC model includes two non-parabolic conduction bands. Based on the material parameters, the electron scattering rates included polar optical phonon scattering, optical phonon scattering and acoustic phonon scattering are evaluated. The electron drift velocity, energy and free flight time are simulated as a function of applied electric field at an impurity concentration of 1x10 18 cm 3 in room temperature. The simulated drift velocity with electric field dependencies is in a good agreement with experimental results found in literature. The saturation velocities for both polytypes are close, but the scattering rates are much more pronounced for 6H-SiC. Our simulation model clearly shows complete electron transport properties in 4H- and 6H-SiC.

Standard Molar Enthalpy of Formation of RE(C5H8NS2)3(C12H8N2)

Institute of Scientific and Technical Information of China (English)

Meng Xiangxin; Shuai Qi; Chen Sanping; Xie Gang; Gao Shengli; Shi Qizhen

2005-01-01

Four solid ternary complexes of RE (C5H8NS2)3(C12H8N2) (RE=Eu, Gd, Tb, Dy) were synthesized in absolute ethanol by rare earth chloride low hydrate with the mixed ligands of ammonium pyrrolidinedi-thiocarbamate (APDC) and 1, 10-phenanthroline*H2O (o-phen*H2O) in the ordinary laboratory atmosphere without any cautions against moisture or air sensitivity. IR spectra of the complexes show that the RE3+ coordinated with six sulfur atoms of three PDC- and two nitrogen atoms of o-phen*H2O. It was assumed that the coordination number of RE3+ is eight. The constant-volume combustion energies of the complexes, ΔcU, were determined as (-16937.88±9.79 ), (-17588.79±8.62 ), (-17747.14±8.25 ) and (-17840.37±8.87 ) kJ*mol-1, by a precise rotating-bomb calorimeter at 298.15 K. Its standard molar enthalpies of combustion, ΔcHθm, and standard molar enthalpies of formation, ΔfHθm, were calculated as (-16953.37±9.79), (-17604.28±8.62), (-17762.63±8.25), (-17855.86±8.87) kJ*mol-1 and (-857.04±10.52), (-282.43±9.58), (-130.08±9.13), (-55.75±9.83) kJ*mol-1.

Absorbers for combined heating and cooling permit new concepts; Absorber zum Kuehlen und Heizen gestatten neue Konzepte

Energy Technology Data Exchange (ETDEWEB)

Stadelmann, M. [Verband der Schweizerischen Gasindustrie, Zurich (Switzerland)

1998-05-01

Direct-fuelled absorption-type refrigerators are recently being used not only for cold generation but also for heat generation with a flow temperature of 80 C. They can cool, heat, or cool and heat simultaneously, eah with a 50% share. This opens up new fields of application, either as a stand-alone system or combined with a gas engine cogeneration unit and absorber for cold generation. Two examples are presented, i.e. a hotel and a shopping mall. (orig.) [Deutsch] Direktbefeuerte Absorptionskaeltemaschinen erzeugen neuerdings nicht nur Kaelte, sondern auch Heizungswaerme mit 80 C Vorlauftemperatur. Sie koennen kuehlen, heizen oder - bis je 50% der Leistung - beides gleichzeitig. Der Teillastwirkungsgrad beim Kuehlbetrieb ist hoeher als bekannt. Das eroeffnet neue Moeglichkeiten des Einsatzes solcher Geraete, sei es allein oder zusammen mit Gasmotor-BHKW und Absorber zur Kaelteerzeugung. Zwei Beispiele - ein Hotel und ein Einkaufszentrum - werden vorgestellt. (orig.)

Generation of the J/sub c/, H/sub c/, T/sub c/ surface for commercial superconductor using reduced-state parameters

International Nuclear Information System (INIS)

Green, M.A.

1988-04-01

This report presents a method for calculating the J/sub C/, H/sub C/, T/sub C/ surface for Type II Superconductors. The method requires that one knows T/sub C/ at zero current and field, H/sub c2/ at zero current and temperature, and J/sub c/ at at least one temperature and field. The theory presented in this report agrees with the measured data quite well over virtually the entire J/sub c/, H/sub c/, T/sub c/ surface given the value of J/sub c/ versus H at one or two temperatures. This report presents calculated and measured values of J/sub c/ versus T and B for niobium titanium, niobium zirconium, niobium tin, niobium titanium tin, niobium tantalum tin, vanadium zirconium hafnium, and vanadium gallium. Good agreement of theory with measured data was obtained for commercial niobium titanium and niobium tin. 76 refs., 26 figs., 6 tabs

Biochemical Characterization of Mycobacterium smegmatis RnhC (MSMEG_4305), a Bifunctional Enzyme Composed of Autonomous N-Terminal Type I RNase H and C-Terminal Acid Phosphatase Domains.

Science.gov (United States)

Jacewicz, Agata; Shuman, Stewart

2015-08-01

Mycobacterium smegmatis encodes several DNA repair polymerases that are adept at incorporating ribonucleotides, which raises questions about how ribonucleotides in DNA are sensed and removed. RNase H enzymes, of which M. smegmatis encodes four, are strong candidates for a surveillance role. Here, we interrogate the biochemical activity and nucleic acid substrate specificity of M. smegmatis RnhC, a bifunctional RNase H and acid phosphatase. We report that (i) the RnhC nuclease is stringently specific for RNA:DNA hybrid duplexes; (ii) RnhC does not selectively recognize and cleave DNA-RNA or RNA-DNA junctions in duplex nucleic acid; (iii) RnhC cannot incise an embedded monoribonucleotide or diribonucleotide in duplex DNA; (iv) RnhC can incise tracts of 4 or more ribonucleotides embedded in duplex DNA, leaving two or more residual ribonucleotides at the cleaved 3'-OH end and at least one or two ribonucleotides on the 5'-PO4 end; (v) the RNase H activity is inherent in an autonomous 140-amino-acid (aa) N-terminal domain of RnhC; and (vi) the C-terminal 211-aa domain of RnhC is an autonomous acid phosphatase. The cleavage specificity of RnhC is clearly distinct from that of Escherichia coli RNase H2, which selectively incises at an RNA-DNA junction. Thus, we classify RnhC as a type I RNase H. The properties of RnhC are consistent with a role in Okazaki fragment RNA primer removal or in surveillance of oligoribonucleotide tracts embedded in DNA but not in excision repair of single misincorporated ribonucleotides. RNase H enzymes help cleanse the genome of ribonucleotides that are present either as ribotracts (e.g., RNA primers) or as single ribonucleotides embedded in duplex DNA. Mycobacterium smegmatis encodes four RNase H proteins, including RnhC, which is characterized in this study. The nucleic acid substrate and cleavage site specificities of RnhC are consistent with a role in initiating the removal of ribotracts but not in single-ribonucleotide surveillance. RnhC

Isolating Weakly and Strongly-Absorbing Classes of Carbonaceous Aerosol: Optical Properties, Abundance and Lifecycle

Energy Technology Data Exchange (ETDEWEB)

Bond, Tami C. [Univ. of Illinois, Urbana-Champaign, IL (United States); Rood, Mark J. [Univ. of Illinois, Urbana-Champaign, IL (United States); Riemer, Nicole [Univ. of Illinois, Urbana-Champaign, IL (United States)

2013-09-15

absorption. Aging by NH₃ produces a mild increase in the hygroscopicity of BrC, and a greater increase in cloud condensation nucleus activity. Therefore, reactions with NH₃ form compounds that absorb more light than the original aerosol and act as surfactants, increasing the likelihood that these particles will participate in cloud formation. The particle-resolved model PartMC was enhanced to include additional physical processes. It was calibrated against chamber results, and we needed to account for the non-spherical structure of particle agglomerates, even for ammonium sulfate. We implemented the “volatility basis set” (VBS) framework in the model. The updated PartMC-MOSAIC model was able to simulate gas and aerosol concentrations from the CARES campaign at levels similar to observations. The PartMC model was used to evaluate plume dynamics affecting CCN activity of biomass burning aerosols early in a plume. Coagulation limits emission of CCN to about 1016 per kg of fuel. Co-emitted, semi-volatile organic compounds or emission at small particle sizes can homogenize composition before plume exit, and SVOC co-emission can be the main factor determining plume-exit CCN for hydrophobic or small particles. When externally-mixed, accumulation-mode particles are emitted in the absence of SVOCs, CCN can be overestimated by up to a factor of two. This means that measurements made on aerosol from all phases of combustion gathered into a single chamber may incorrectly estimate CCN properties. Based on the findings here, we make some recommendations for use in large-scale models: (1) inventories should represent “internally” versus “externally” mixed under certain combustion conditions; (2) consideration of non-spherical particles when coagulation is important for climate-relevant properties near sources; (3) designating organic biomass particles as weakly absorbing; (4) “inherent absorption” and hygroscopicity are not altered with aging by ozone

C-H and C-C activation of n -butane with zirconium hydrides supported on SBA15 containing N-donor ligands: [(≡SiNH-)(≡SiX-)ZrH2], [(≡SiNH-)(≡SiX-)2ZrH], and[(≡SiN=)(≡SiX-)ZrH] (X = -NH-, -O-). A DFT study

KAUST Repository

Pasha, Farhan Ahmad; Bendjeriou-Sedjerari, Anissa; Huang, Kuo-Wei; Basset, Jean-Marie

2014-01-01

: [(≡SiNH-)(≡SiO-)ZrH2] (A), [(≡SiNH-)2ZrH2] (B), [(≡SiNH-)(≡SiO-) 2ZrH] (C), [(≡SiNH-)2(≡SiO-)ZrH] (D), [(≡SiN=)(≡Si-O-)ZrH] (E), and [(≡SiN=)(≡SiNH-)ZrH] (F). The roles of these hydrides have been investigated in C-H/C-C bond activation and cleavage

Oxidative C-H/C-H Cross-Coupling Reactions between N-Acylanilines and Benzamides Enabled by a Cp*-Free RhCl3/TFA Catalytic System.

Science.gov (United States)

You, Jingsong; Shi, Yang; Zhang, Luoqiang; Lan, Jingbo; Zhang, Min; Zhou, Fulin; Wei, Wenlong

2018-06-03

Using the dual chelation-assisted strategy, a completely regiocontrolled oxidative C-H/C-H cross-coupling reaction between an N-acylaniline and a benzamide has been accomplished for the first time, which enables a step-economical and highly efficient pathway to 2-amino-2'-carboxybiaryl scaffolds from readily available substrates. A Cp*-free RhCl3/TFA catalytic system has been developed to replace the generally used [Cp*RhCl2]2/AgSbF6 (Cp* = pentamethyl cyclopentadienyl) in oxidative C-H/C-H cross-coupling reactions between two (hetero)arenes. The RhCl3/TFA system avoids the use of expensive Cp* ligand and AgSbF6. As an illustrative example, the protocol developed herein greatly streamlines access to naturally occurring benzo[c]phenanthridine alkaloid oxynitidine in an excellent overall yield. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Disposition of 14C-β-carotene following delivery with autologous triacylglyceride-rich lipoproteins

International Nuclear Information System (INIS)

Dueker, Stephen R.; Le Thuy Vuong; Faulkner, Brian; Buchholz, Bruce A.; Vogel, John S.

2007-01-01

Following ingestion, a fraction of β-carotene is cleaved into vitamin A in the intestine, while another is absorbed intact and distributed among tissues and organs. The extent to which this absorbed β-carotene serves as a source of vitamin A is unknown in vivo. In the present study we use the attomole sensitivity of accelerator mass spectrometry (AMS) for 14 C to quantify the disposition of 14 C-β-carotene (930 ng; 60.4 nCi of activity) after intravenous injection with an autologous triacylglyceride-rich lipoprotein fraction in a single volunteer. Total 14 C was quantified in serial plasma samples and also in triglyceride-rich, and low density lipoprotein, subfractions. The appearance of 14 C-retinol, the circulating form of vitamin A in plasma, was determined by chromatographic separation of plasma retinol extracts prior to AMS analysis. The data showed that 14 C concentrations rapidly decayed within the triglyceride-rich lipoprotein fractions after injection, whereas low density lipoprotein 14 C began a significant rise in 14 C 5 h post dose. Plasma 14 C-retinol also appeared at 5 h post dose and its concentrations were maintained above baseline for >88 days. Based upon comparisons of 14 C-retinol concentrations following an earlier study with orally dosed 14 C-β-carotene, a molar vitamin A value of the absorbed β-carotene of 0.19 was derived, meaning that 1 mole of absorbed β-carotene provides 0.19 moles of vitamin A. This is the first study to show that infused β-carotene contributes to the vitamin A economy in humans in vivo

Characterization of μc-Si:H/a-Si:H tandem solar cell structures by spectroscopic ellipsometry

International Nuclear Information System (INIS)

Murata, Daisuke; Yuguchi, Tetsuya; Fujiwara, Hiroyuki

2014-01-01

In order to perform the structural characterization of Si thin-film solar cells having submicron-size rough textured surfaces, we have developed an optical model that can be utilized for the spectroscopic ellipsometry (SE) analysis of a multilayer solar cell structure consisting of hydrogenated amorphous silicon (a-Si:H) and microcrystalline silicon (μc-Si:H) layers fabricated on textured SnO 2 :F substrates. To represent the structural non-uniformity in the textured structure, the optical response has been calculated from two regions with different thicknesses of the Si layers. Moreover, in the optical model, the interface layers are modeled by multilayer structures assuming two-phase composites and the volume fractions of the phases in the layers are controlled by the structural curvature factor. The polarized reflection from the μc-Si:H layer that shows extensive surface roughening during the growth has also been modeled. In this study, a state-of-the-art solar cell structure with the textured μc-Si:H (2000 nm)/ZnO (100 nm)/a-Si:H (200 nm)/SnO 2 :F/glass substrate structure has been characterized. The μc-Si:H/a-Si:H textured structure deduced from our SE analysis shows remarkable agreement with that observed by transmission electron microscopy. From the above results, we have demonstrated the high-precision characterization of highly-textured μc-Si:H/a-Si:H solar cell structures. - Highlights: • Characterization of textured μc-Si:H/a-Si:H solar cell structures by ellipsometry • A new optical model using surface area and multilayer models • High precision characterization of submicron-range rough interface structures

Fabrication of CIS Absorber Layers with Different Thicknesses Using A Non-Vacuum Spray Coating Method

Directory of Open Access Journals (Sweden)

Chien-Chen Diao

2014-01-01

Full Text Available In this study, a new thin-film deposition process, spray coating method (SPM, was investigated to deposit the high-densified CuInSe2 absorber layers. The spray coating method developed in this study was a non-vacuum process, based on dispersed nano-scale CuInSe2 precursor and could offer a simple, inexpensive, and alternative formation technology for CuInSe2 absorber layers. After spraying on Mo/glass substrates, the CuInSe2 thin films were annealed at 550 °C by changing the annealing time from 5 min to 30 min in a selenization furnace, using N2 as atmosphere. When the CuInSe2 thin films were annealed, without extra Se or H2Se gas used as the compensation source during the annealing process. The aim of this project was to investigate the influence of annealing time on the densification and crystallization of the CuInSe2 absorber layers to optimize the quality for cost effective solar cell production. The thickness of the CuInSe2 absorber layers could be controlled as the volume of used dispersed CuInSe2-isopropyl alcohol solution was controlled. In this work, X-ray diffraction patterns, field emission scanning electron microscopy, and Hall parameter measurements were performed in order to verify the quality of the CuInSe2 absorber layers obtained by the Spray Coating Method.

pH-Responsive Fe(III)-Gallic Acid Nanoparticles for In Vivo Photoacoustic-Imaging-Guided Photothermal Therapy.

Science.gov (United States)

Zeng, Jianfeng; Cheng, Ming; Wang, Yong; Wen, Ling; Chen, Ling; Li, Zhen; Wu, Yongyou; Gao, Mingyuan; Chai, Zhifang

2016-04-06

pH-responsive biocompatible Fe(III)-gallic acid nanoparticles with strong near-infrared absorbance are very stable in mild acidic conditions, but easily decomposed in neutral conditions, which enables the nanoparticles to be stable in a tumor and easily metabolized in other organs, thus providing a safe nanoplatform for in vivo photoacoustic imaging/photothermal therapy theranostic applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Breakdown of the Coulomb friction law in TiC/a-C:H nanocomposite coatings

International Nuclear Information System (INIS)

Pei, Y. T.; Huizenga, P.; Galvan, D.; Hosson, J. Th. M. de

2006-01-01

Advanced TiC/a-C:H nanocomposite coatings have been produced via reactive deposition in a closed-field unbalanced magnetron sputtering system (Hauzer HTC-1000 or HTC 1200). In this paper, we report on the tribological behavior of TiC/a-C:H nanocomposite coatings in which ultralow friction is tailored with superior wear resistance, two properties often difficult to achieve simultaneously. Tribotests have been performed at room temperature with a ball-on-disk configuration. In situ monitoring of the wear depth of the coated disk together with the wear height of the ball counterpart at nanometer scale reveals that the self-lubricating effects are induced by the formation of transfer films on the surface of the ball counterpart. A remarkable finding is a breakdown of the Coulomb friction law in the TiC/a-C:H nanocomposite coatings. In addition, the coefficient of friction of TiC/a-C:H nanocomposite coatings decreases with decreasing relative humidity. A superior wear resistance of the coated disk at a level of 10 -17 m 3 /N m (per lap) has been achieved under the condition of superlow friction and high toughness, both of which require fine TiC nanoparticles (e.g., 2 nm) and a wide matrix separation that must be comparable to the dimensions of the nanoparticles

The rate of the reaction between C2H and C2H2 at interstellar temperatures

Science.gov (United States)

Herbst, E.; Woon, D. E.

1997-01-01

The reaction between the radical C2H and the stable hydrocarbon C2H2 is one of the simplest neutral-neutral hydrocarbon reactions in chemical models of dense interstellar clouds and carbon-rich circumstellar shells. Although known to be rapid at temperatures > or = 300 K, the reaction has yet to be studied at lower temperatures. We present here ab initio calculations of the potential surface for this reaction and dynamical calculations to determine its rate at low temperature. Despite a small potential barrier in the exit channel, the calculated rate is large, showing that this reaction and, most probably, more complex analogs contribute to the formation of complex organic molecules in low-temperature sources.

Venus upper clouds and the UV-absorber from MESSENGER/MASCS observations

Science.gov (United States)

Perez-Hoyos, Santiago; Sanchez-Lavega, Agustin; Garcia Munoz, Antonio; Irwin, Patrick; Peralta, Javier; Holsclaw, Greg; McClintock, William

2014-11-01

In June 2007, the MESSENGER spacecraft performed its second Venus flyby on its route to Mercury. The spacecraft’s MASCS instrument (VIRS channel) acquired numerous spectra of the sunlight reflected from the equatorial region of the planet at wavelengths from the near ultraviolet (300nm) to the near infrared (1450 nm). In this work we present an analysis of the data and their spectral and spatial variability following the mission footprint on the Venus disk. In order to reproduce the observed reflectivity and obtain information on the upper clouds and the unknown UV absorber, we use the NEMESIS retrieval code, including SO2 , CO2 and H2O absorption together with absorption and scattering by mode-1, -2 and -3 cloud particles. This spectral range provides sensitivity to the uppermost cloud levels, above 60 km. Vertical profiles of the mode-1 and mode-2 particles have been retrieved along the equatorial region of Venus, with average retrieved sounding levels of 70 +/- 2 km at 1 micron, in good agreement with previous investigations. This spectral range is also very interesting because of the existence of a mysterious absorber in the blue and UV side of the reflected spectra, whose origin remains as one of the key questions about the Venus atmosphere. Here we report a comparison with some of the previously proposed absorbers: (1) sulfur-related compounds (amorphous and liquid sulfur, S3, S4, S8, S2O); (2) chlorine related species (Cl2, FeCl3); (3) organics (C3O2, Croconic acid). Preliminary results show that the first group provides better fits to the data, although combinations of the proposed agents might be required in order to produce better results. Acknowledgements: This work was supported by the Spanish MICIIN projects AYA2009- 10701, AYA2012-38897-C02-01, and AYA2012-36666 with FEDER support, PRICIT-S2009/ESP-1496, Grupos Gobierno Vasco IT765-13, and UPV/EHU UFI11/55. S.P.-H. acknowledges support from the Jose Castillejo Program funded by Ministerio de Educaci

Charge transfer of He2+ with H in a strong magnetic field

International Nuclear Information System (INIS)

Liu Chun-Lei; Zou Shi-Yang; He Bin; Wang Jian-Guo

2015-01-01

By solving a time-dependent Schrödinger equation (TDSE), we studied the electron capture process in the He 2+ +H collision system under a strong magnetic field in a wide projectile energy range. The strong enhancement of the total charge transfer cross section is observed for the projectile energy below 2.0 keV/u. With the projectile energy increasing, the cross sections will reduce a little and then increase again, compared with those in the field-free case. The cross sections to the states with different magnetic quantum numbers are presented and analyzed where the influence due to Zeeman splitting is obviously found, especially in the low projectile energy region. The comparison with other models is made and the tendency of the cross section varying with the projectile energy is found closer to that from other close coupling models. (paper)

Nanoimprinted backside reflectors for a-Si:H thin-film solar cells: critical role of absorber front textures.

Science.gov (United States)

Tsao, Yao-Chung; Fisker, Christian; Pedersen, Thomas Garm

2014-05-05

The development of optimal backside reflectors (BSRs) is crucial for future low cost and high efficiency silicon (Si) thin-film solar cells. In this work, nanostructured polymer substrates with aluminum coatings intended as BSRs were produced by positive and negative nanoimprint lithography (NIL) techniques, and hydrogenated amorphous silicon (a-Si:H) was deposited hereon as absorbing layers. The relationship between optical properties and geometry of front textures was studied by combining experimental reflectance spectra and theoretical simulations. It was found that a significant height variation on front textures plays a critical role for light-trapping enhancement in solar cell applications. As a part of sample preparation, a transfer NIL process was developed to overcome the problem of low heat deflection temperature of polymer substrates during solar cell fabrication.

Gas-phase Absorptions of {{\\rm{C}}}_{42}{{\\rm{H}}}_{18}^{+} near 8300 Å below 10 K: Astronomical Implications

Science.gov (United States)

Campbell, E. K.; Maier, J. P.

2017-11-01

The gas-phase electronic spectrum of {{{C}}}42{{{H}}}18+ ({{HBC}}+) with an origin band at 8281 \\mathringA has been measured below 10 {{K}} by photofragmentation of helium complexes ({{{C}}}42{{{H}}}18+{--}{{He}}n) in a radiofrequency trap. {{HBC}}+ is a medium-sized polycyclic aromatic hydrocarbon (PAH) cation, and using an ion trapping technique it has been possible to record a high-quality gas-phase spectrum to directly compare with astronomical observations. No diffuse interstellar bands (DIBs) have been reported at the wavelengths of the strongest absorption bands in the {{{C}}}42{{{H}}}18+ spectrum. Measurement of absolute absorption cross sections in the ion trap allows upper limits to the column density of this ion to be {10}12 {{cm}}-2, indicating that even PAH cations of this size, which are believed to be stable in the interstellar medium, should be excluded as candidates for at least the strong DIBs.

Rhodium-catalyzed C-H functionalization with N-acylsaccharins.

Science.gov (United States)

Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo

2017-01-18

A rhodium-catalyzed C-H functionalization with activated amides by decarbonylation has been developed. Notably, this is the first C-H arylation employing N-acylsaccharins as coupling partners to give biaryls in good to excellent yields. The highlight of the work is the high tolerance of functional groups such as formyl, ester, and vinyl and the use of a removable directing group.

Uptake of [3H]PAH and [14C]urate into isolated proximal tubular segments of the pig kidney

International Nuclear Information System (INIS)

Schali, C.; Roch-Ramel, F.

1981-01-01

Segments of proximal convoluted (PCT) and proximal straight (PST) tubules of minipigs and normal-sized pigs were microdissected (without collagenase treatment) and incubated (30 min, 37 0 C, pH 7.4) in Ringer solution (under O 2 ) containing [ 3 H]PAH (3.10 -5 M) or [ 14 C]urate (9.10 -5 M) and, in inhibitor studies, probenecid, pyrazinoic acid (PZA), urate, or PAH, all at 1 mM. In both strains the uptake of [ 3 H]PAH expressed as mean T/M ratio (cpm per ml tissue water/cpm per ml incubation medium) was significantly higher (P 14 C]urate. In eight minipigs the T/M was 4.9 +/- 0.5 in 24 PCT and 2 +/- 0.2 in 25 PST. In normal-sized pigs the T/M was 3.8 +/- 0.3 in 35 PCT (five pigs) and 1.9 +/- 0.4 in eight PST (two pigs). In inhibitor studies urate significantly depressed the uptake of [ 3 H]PAH, and unlabeled PAH depressed the uptake of [ 14 C]urate. PZA significantly inhibited the uptake of [ 14 C]urate but not that of [ 3 H]PAH, whereas probenecid had a strong inhibitory efect on the uptake of both compounds. These results suggest that [ 14 C]urate and [ 3 H]PAH are transported by a transport system located mainly in the proximal convoluted tubule. These findings are in contrast in the findings are in contrast to the findings obtained in rabbits in which the transport system of PAH and urate is mainly located in the proximal part of the pars recta

Tribological properties of TiC/a-C:H nanocomposite coatings prepared via HiPIMS

Science.gov (United States)

Sánchez-López, J. C.; Dominguez-Meister, S.; Rojas, T. C.; Colasuonno, M.; Bazzan, M.; Patelli, A.

2018-05-01

High power impulse magnetron sputtering (HiPIMS) technology has been employed to prepare TiC/a-C:H nanocomposite coatings from a titanium target in acetylene (C2H2) reactive atmospheres. Gas fluxes were varied from 1.3 to 4.4 sccm to obtain C/Ti ratios from 2 to 15 as measured by electron probe microanalysis (EPMA). X-ray diffraction and transmission electron microscopy demonstrate the presence of TiC nanocrystals embedded in an amorphous carbon-based matrix. The hardness properties decrease from 17 to 10 GPa as the carbon content increases. The tribological properties were measured using a pin-on-disk tribometer in ambient air (RH = 30-40%) at 10 cm/s with 5 N of applied load against 6-mm 100Cr6 balls. The friction coefficient and the film wear rates are gradually improved from 0.3 and 7 × 10-6 mm3/N m to 0.15 and 2 × 10-7 mm3/N m, respectively, by increasing the C2H2 flux. To understand the tribological processes appearing at the interface and to elucidate the wear mechanism, microstructural and chemical investigations of the coatings were performed before and after the friction test. EPMA, X-ray photoelectron and electron energy-loss spectroscopies were employed to obtain an estimation of the fraction of the a-C:H phase, which can be correlated with the tribological behavior. Examination of the friction counterfaces (ball and track) by Raman microanalysis reveals an increased ordering of the amorphous carbon phase concomitant with friction reduction. The tribological results were compared with similar TiC/a-C(:H) composites prepared by the conventional direct current process.

Experimental Durability Testing of 4H SiC JFET Integrated Circuit Technology at 727 C

Science.gov (United States)

Spry, David; Neudeck, Phil; Chen, Liangyu; Chang, Carl; Lukco, Dorothy; Beheim, Glenn M

2016-01-01

We have reported SiC integrated circuits (IC's) with two levels of metal interconnect that have demonstrated prolonged operation for thousands of hours at their intended peak ambient operational temperature of 500 C [1, 2]. However, it is recognized that testing of semiconductor microelectronics at temperatures above their designed operating envelope is vital to qualification. Towards this end, we previously reported operation of a 4H-SiC JFET IC ring oscillator on an initial fast thermal ramp test through 727 C [3]. However, this thermal ramp was not ended until a peak temperature of 880 C (well beyond failure) was attained. Further experiments are necessary to better understand failure mechanisms and upper temperature limit of this extreme-temperature capable 4H-SiC IC technology. Here we report on additional experimental testing of custom-packaged 4H-SiC JFET IC devices at temperatures above 500 C. In one test, the temperature was ramped and then held at 727 C, and the devices were periodically measured until electrical failure was observed. A 4H-SiC JFET on this chip electrically functioned with little change for around 25 hours at 727 C before rapid increases in device resistance caused failure. In a second test, devices from our next generation 4H-SiC JFET ICs were ramped up and then held at 700 C (which is below the maximum deposition temperature of the dielectrics). Three ring oscillators functioned for 8 hours at this temperature before degradation. In a third experiment, an alternative die attach of gold paste and package lid was used, and logic circuit operation was demonstrated for 143.5 hours at 700 C.

Thermal expansion absorbing structure for pipeline

International Nuclear Information System (INIS)

Nagata, Takashi; Yamashita, Takuya.

1995-01-01

A thermal expansion absorbing structure for a pipeline is disposed to the end of pipelines to form a U-shaped cross section connecting a semi-circular torus shell and a short double-walled cylindrical tube. The U-shaped longitudinal cross-section is deformed in accordance with the shrinking deformation of the pipeline and absorbs thermal expansion. Namely, since the central lines of the outer and inner tubes of the double-walled cylindrical tube deform so as to incline, when the pipeline is deformed by thermal expansion, thermal expansion can be absorbed by a simple configuration thereby enabling to contribute to ensure the safety. Then, the entire length of the pipeline can greatly be shortened by applying it to the pipeline disposed in a high temperature state compared with a method of laying around a pipeline using only elbows, which has been conducted so far. Especially, when it is applied to a pipeline for an FBR-type reactor, the cost for the construction of a facility of a primary systems can greater be reduced. In addition, it can be applied to a pipeline for usual chemical plants and any other structures requiring absorption of deformation. (N.H.)

The exotic molecular ion H{sub 4}{sup 3+} in a strong magnetic field; El ion molecular exotico H{sub 4}{sup 3+} en un campo magnetico intenso

Energy Technology Data Exchange (ETDEWEB)

Olivares P, H. [ICN-UNAM, A.P. 70-543, 04510 Mexico D.F. (Mexico)]. e-mail: horop@nucleares.unam.mx

2006-07-01

Using the variational method, a detailed study of the lowest m = 0, -1 electronic states of the exotic molecular ion H3+{sub 4} in a strong magnetic field, in the linear symmetric configuration parallel to the direction of the magnetic field is carried out. A extended study of the 1{sigma}g ground state (J.C. Lopez and A.Turbiner, Phys. Rev A 62, 022510, 2000) was performed obtaining that the potential energy curve displays a sufficiently deep minimum for finite internuclear distances, indicating the possible existence of the molecular ion H{sub 4}{sup 3+}, for magnetic fields of strength B > {approx} 3 x 10{sup 13} G. It is demonstrated that the excited state 1{pi}{sub u}, can exist for a magnetic field B = 4.414 x 10{sup 13} G corresponding to the limit of applicability of the non-relativistic theory. (Author)

Generic finite size scaling for discontinuous nonequilibrium phase transitions into absorbing states

Science.gov (United States)

de Oliveira, M. M.; da Luz, M. G. E.; Fiore, C. E.

2015-12-01

Based on quasistationary distribution ideas, a general finite size scaling theory is proposed for discontinuous nonequilibrium phase transitions into absorbing states. Analogously to the equilibrium case, we show that quantities such as response functions, cumulants, and equal area probability distributions all scale with the volume, thus allowing proper estimates for the thermodynamic limit. To illustrate these results, five very distinct lattice models displaying nonequilibrium transitions—to single and infinitely many absorbing states—are investigated. The innate difficulties in analyzing absorbing phase transitions are circumvented through quasistationary simulation methods. Our findings (allied to numerical studies in the literature) strongly point to a unifying discontinuous phase transition scaling behavior for equilibrium and this important class of nonequilibrium systems.

Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2—H2O and C2H4—H2O complexes

DEFF Research Database (Denmark)

Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

2017-01-01

an intermolecular CH⋯O hydrogen-bonded configuration of C2v symmetry with the H2O subunit acting as the hydrogen bond acceptor. The observation and assignment of two large-amplitude donor OH librational modes of the C2H4—H2O complex at 255.0 and 187.5 cm−1, respectively, confirms an intermolecular OH⋯π hydrogen...

Histone HIST1H1C/H1.2 regulates autophagy in the development of diabetic retinopathy.

Science.gov (United States)

Wang, Wenjun; Wang, Qing; Wan, Danyang; Sun, Yue; Wang, Lin; Chen, Hong; Liu, Chengyu; Petersen, Robert B; Li, Jianshuang; Xue, Weili; Zheng, Ling; Huang, Kun

2017-05-04

Autophagy plays critical and complex roles in many human diseases, including diabetes and its complications. However, the role of autophagy in the development of diabetic retinopathy remains uncertain. Core histone modifications have been reported involved in the development of diabetic retinopathy, but little is known about the histone variants. Here, we observed increased autophagy and histone HIST1H1C/H1.2, an important variant of the linker histone H1, in the retinas of type 1 diabetic rodents. Overexpression of histone HIST1H1C upregulates SIRT1 and HDAC1 to maintain the deacetylation status of H4K16, leads to upregulation of ATG proteins, then promotes autophagy in cultured retinal cell line. Histone HIST1H1C overexpression also promotes inflammation and cell toxicity in vitro. Knockdown of histone HIST1H1C reduces both the basal and stresses (including high glucose)-induced autophagy, and inhibits high glucose induced inflammation and cell toxicity. Importantly, AAV-mediated histone HIST1H1C overexpression in the retinas leads to increased autophagy, inflammation, glial activation and neuron loss, similar to the pathological changes identified in the early stage of diabetic retinopathy. Furthermore, knockdown of histone Hist1h1c by siRNA in the retinas of diabetic mice significantly attenuated the diabetes-induced autophagy, inflammation, glial activation and neuron loss. These results indicate that histone HIST1H1C may offer a novel therapeutic target for preventing diabetic retinopathy.

Activation and control of visible single defects in 4H-, 6H-, and 3C-SiC by oxidation

Energy Technology Data Exchange (ETDEWEB)

Lohrmann, A.; Klein, J. R.; Prawer, S.; McCallum, J. C. [School of Physics, The University of Melbourne, Victoria 3010 (Australia); Castelletto, S. [School of Engineering, RMIT University, Melbourne, Victoria 3001 (Australia); Ohshima, T. [SemiConductor Analysis and Radiation Effects Group, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan); Bosi, M.; Negri, M. [IMEM-CNR Institute, Parco Area delle Scienze 37/A, 43124 Parma (Italy); Lau, D. W. M.; Gibson, B. C. [ARC Centre of Excellence for Nanoscale BioPhotonics, School of Science, RMIT University, Melbourne, Victoria 3001 (Australia); Johnson, B. C. [ARC Centre of Excellence for Quantum Computing and Communication Technology, School of Physics, University of Melbourne, Victoria 3010 (Australia)

2016-01-11

In this work, we present the creation and characterisation of single photon emitters at the surface of 4H- and 6H-SiC, and of 3C-SiC epitaxially grown on silicon. These emitters can be created by annealing in an oxygen atmosphere at temperatures above 550 °C. By using standard confocal microscopy techniques, we find characteristic spectral signatures in the visible region. The excited state lifetimes are found to be in the nanosecond regime in all three polytypes, and the emission dipoles are aligned with the lattice. HF-etching is shown to effectively annihilate the defects and to restore an optically clean surface. The defects described in this work have ideal characteristics for broadband single photon generation in the visible spectral region at room temperature and for integration into nanophotonic devices.

Activation and control of visible single defects in 4H-, 6H-, and 3C-SiC by oxidation