Dissociative Photoionization of 1-Halogenated Silacyclohexanes: Silicon Traps the Halogen.

Science.gov (United States)

Bodi, Andras; Sigurdardottir, Katrin Lilja; Kvaran, Ágúst; Bjornsson, Ragnar; Arnason, Ingvar

2016-11-23

The threshold photoelectron spectra and threshold photoionization mass spectra of 1-halogenated-1-silacyclohexanes, for the halogens X = F, Cl, Br, and I, have been obtained using synchrotron vacuum ultraviolet radiation and photoelectron photoion coincidence spectroscopy. As confirmed by a similar ionization onset and density functional theory molecular orbitals, the ionization to the ground state is dominated by electron removal from the silacyclohexane ring for X = F, Cl, and Br, and from the halogen lone pair for X = I. The breakdown diagrams show that the dissociative photoionization mechanism is also different for X = I. Whereas the parent ions decay by ethylene loss for X = F to Br in the low-energy regime, the iodine atom is lost for X = I. The first step is followed by a sequential ethylene loss at higher internal energies in each of the compounds. It is argued that the tendency of silicon to lower bond angles stabilizes the complex cation in which C 2 H 4 is η 2 -coordinated to it, and which precedes ethylene loss. Together with the relatively strong silicon-halogen bonds and the increased inductive effect of the silacyclohexane ring in stabilizing the cation, this explains the main differences observed in the fragmentation of the halogenated silacyclohexane and halogenated cyclohexane ions. The breakdown diagrams have been modeled taking into account slow dissociations at threshold and the resulting kinetic shift. The 0 K appearance energies have been obtained to within 0.08 eV for the ethylene loss for X = F to Br (10.56, 10.51, and 10.51 eV, respectively), the iodine atom loss for X = I (10.11 eV), the sequential ethylene loss for X = F to I (12.29, 12.01, 11.94, and 11.86 eV, respectively), and the minor channels of H loss for X = F (10.56 eV) and propylene loss in X = Cl (also at 10.56 eV). The appearance energies for the major channels likely correspond to the dissociative photoionization reaction energy.

Boiling points of halogenated ethanes: an explanatory model implicating weak intermolecular hydrogen-halogen bonding.

Science.gov (United States)

Beauchamp, Guy

2008-10-23

This study explores via structural clues the influence of weak intermolecular hydrogen-halogen bonds on the boiling point of halogenated ethanes. The plot of boiling points of 86 halogenated ethanes versus the molar refraction (linked to polarizability) reveals a series of straight lines, each corresponding to one of nine possible arrangements of hydrogen and halogen atoms on the two-carbon skeleton. A multiple linear regression model of the boiling points could be designed based on molar refraction and subgroup structure as independent variables (R(2) = 0.995, standard error of boiling point 4.2 degrees C). The model is discussed in view of the fact that molar refraction can account for approximately 83.0% of the observed variation in boiling point, while 16.5% could be ascribed to weak C-X...H-C intermolecular interactions. The difference in the observed boiling point of molecules having similar molar refraction values but differing in hydrogen-halogen intermolecular bonds can reach as much as 90 degrees C.

Evidence for Interfacial Halogen Bonding.

Science.gov (United States)

Swords, Wesley B; Simon, Sarah J C; Parlane, Fraser G L; Dean, Rebecca K; Kellett, Cameron W; Hu, Ke; Meyer, Gerald J; Berlinguette, Curtis P

2016-05-10

A homologous series of donor-π-acceptor dyes was synthesized, differing only in the identity of the halogen substituents about the triphenylamine (TPA; donor) portion of each molecule. Each Dye-X (X=F, Cl, Br, and I) was immobilized on a TiO2 surface to investigate how the halogen substituents affect the reaction between the light-induced charge-separated state, TiO2 (e(-) )/Dye-X(+) , with iodide in solution. Transient absorption spectroscopy showed progressively faster reactivity towards nucleophilic iodide with more polarizable halogen substituents: Dye-F < Dye-Cl < Dye-Br < Dye-I. Given that all other structural and electronic properties for the series are held at parity, with the exception of an increasingly larger electropositive σ-hole on the heavier halogens, the differences in dye regeneration kinetics for Dye-Cl, Dye-Br, and Dye-I are ascribed to the extent of halogen bonding with the nucleophilic solution species. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mixed features in patients with a major depressive episode: the BRIDGE-II-MIX study.

Science.gov (United States)

Perugi, Giulio; Angst, Jules; Azorin, Jean-Michel; Bowden, Charles L; Mosolov, Sergey; Reis, Joao; Vieta, Eduard; Young, Allan H

2015-03-01

To estimate the frequency of mixed states in patients diagnosed with major depressive episode (MDE) according to conceptually different definitions and to compare their clinical validity. This multicenter, multinational cross-sectional Bipolar Disorders: Improving Diagnosis, Guidance and Education (BRIDGE)-II-MIX study enrolled 2,811 adult patients experiencing an MDE. Data were collected per protocol on sociodemographic variables, current and past psychiatric symptoms, and clinical variables that are risk factors for bipolar disorder. The frequency of mixed features was determined by applying both DSM-5 criteria and a priori described Research-Based Diagnostic Criteria (RBDC). Clinical variables associated with mixed features were assessed using logistic regression. Overall, 212 patients (7.5%) fulfilled DSM-5 criteria for MDE with mixed features (DSM-5-MXS), and 818 patients (29.1%) fulfilled diagnostic criteria for a predefined RBDC depressive mixed state (RBDC-MXS). The most frequent manic/hypomanic symptoms were irritable mood (32.6%), emotional/mood lability (29.8%), distractibility (24.4%), psychomotor agitation (16.1%), impulsivity (14.5%), aggression (14.2%), racing thoughts (11.8%), and pressure to keep talking (11.4%). Euphoria (4.6%), grandiosity (3.7%), and hypersexuality (2.6%) were less represented. In multivariate logistic regression analysis, RBDC-MXS was associated with the largest number of variables including diagnosis of bipolar disorder, family history of mania, lifetime suicide attempts, duration of the current episode > 1 month, atypical features, early onset, history of antidepressant-induced mania/hypomania, and lifetime comorbidity with anxiety, alcohol and substance use disorders, attention-deficit/hyperactivity disorder, and borderline personality disorder. Depressive mixed state, defined as the presence of 3 or more manic/hypomanic features, was present in around one-third of patients experiencing an MDE. The valid symptom, illness

Halogen bond: a long overlooked interaction.

Science.gov (United States)

Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo

2015-01-01

Because of their high electronegativity, halogen atoms are typically considered, in most of their derivatives, as sites of high electron density and it is commonly accepted that they can form attractive interactions by functioning as the electron donor site (nucleophilic site). This is the case when they work as hydrogen bond acceptor sites. However, the electron density in covalently bound halogens is anisotropically distributed. There is a region of higher electron density, accounting for the ability of halogens to function as electron donor sites in attractive interactions, and a region of lower electron density where the electrostatic potential is frequently positive (mainly in the heavier halogens). This latter region is responsible for the ability of halogen atoms to function as the electron-acceptor site (electrophilic site) in attractive interactions formed with a variety of lone pair-possessing atoms, anions, and π-systems. This ability is quite general and is shown by a wide diversity of halogenated compounds (e.g., organohalogen derivatives and dihalogens). According to the definition proposed by the International Union of Pure and Applied Chemistry, any attractive interactions wherein the halogen atom is the electrophile is named halogen bond (XB). In this chapter, it is discussed how the practice and the concept of XB developed and a brief history of the interaction is presented. Papers (either from the primary or secondary literature) which have reported major experimental findings in the field or which have given important theoretical contributions for the development of the concept are recollected in order to trace how a unifying and comprehensive categorization emerged encompassing all interactions wherein halogen atoms function as the electrophilic site.

Halogen bonding in solution: thermodynamics and applications.

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Beale, Thomas M; Chudzinski, Michael G; Sarwar, Mohammed G; Taylor, Mark S

2013-02-21

Halogen bonds are noncovalent interactions in which covalently bound halogens act as electrophilic species. The utility of halogen bonding for controlling self-assembly in the solid state is evident from a broad spectrum of applications in crystal engineering and materials science. Until recently, it has been less clear whether, and to what extent, halogen bonding could be employed to influence conformation, binding or reactivity in the solution phase. This tutorial review summarizes and interprets solution-phase thermodynamic data for halogen bonding interactions obtained over the past six decades and highlights emerging applications in molecular recognition, medicinal chemistry and catalysis.

Complex Method Mixed with PSO Applying to Optimization Design of Bridge Crane Girder

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He Yan

2017-01-01

Full Text Available In engineer design, basic complex method has not enough global search ability for the nonlinear optimization problem, so it mixed with particle swarm optimization (PSO has been presented in the paper,that is the optimal particle evaluated from fitness function of particle swarm displacement complex vertex in order to realize optimal principle of the largest complex central distance.This method is applied to optimization design problems of box girder of bridge crane with constraint conditions.At first a mathematical model of the girder optimization has been set up,in which box girder cross section area of bridge crane is taken as the objective function, and its four sizes parameters as design variables, girder mechanics performance, manufacturing process, border sizes and so on requirements as constraint conditions. Then complex method mixed with PSO is used to solve optimization design problem of cane box girder from constrained optimization studying approach, and its optimal results have achieved the goal of lightweight design and reducing the crane manufacturing cost . The method is reliable, practical and efficient by the practical engineer calculation and comparative analysis with basic complex method.

Halogenation processes of secondary organic aerosol and implications on halogen release mechanisms

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J. Ofner

2012-07-01

Full Text Available Reactive halogen species (RHS, such as X·, X₂ and HOX containing X = chlorine and/or bromine, are released by various sources like photo-activated sea-salt aerosol or from salt pans, and salt lakes. Despite many studies of RHS reactions, the potential of RHS reacting with secondary organic aerosol (SOA and organic aerosol derived from biomass-burning (BBOA has been neglected. Such reactions can constitute sources of gaseous organohalogen compounds or halogenated organic matter in the tropospheric boundary layer and can influence physicochemical properties of atmospheric aerosols.

Model SOA from α-pinene, catechol, and guaiacol was used to study heterogeneous interactions with RHS. Particles were exposed to molecular chlorine and bromine in an aerosol smog-chamber in the presence of UV/VIS irradiation and to RHS, released from simulated natural halogen sources like salt pans. Subsequently, the aerosol was characterized in detail using a variety of physicochemical and spectroscopic methods. Fundamental features were correlated with heterogeneous halogenation, which results in new functional groups (FTIR spectroscopy, changes UV/VIS absorption, chemical composition (ultrahigh resolution mass spectroscopy (ICR-FT/MS, or aerosol size distribution. However, the halogen release mechanisms were also found to be affected by the presence of organic aerosol. Those interaction processes, changing chemical and physical properties of the aerosol are likely to influence e.g. the ability of the aerosol to act as cloud condensation nuclei, its potential to adsorb other gases with low-volatility, or its contribution to radiative forcing and ultimately the Earth's radiation balance.

Biogeochemistry of Halogenated Hydrocarbons

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Adriaens, P.; Gruden, C.; McCormick, M. L.

2003-12-01

Halogenated hydrocarbons originate from both natural and industrial sources. Whereas direct anthropogenic emissions to the atmosphere and biosphere are often easy to assess, particularly when they are tied to major industrial activities, the attribution of emissions to other human activities (e.g., biomass burning), diffuse sources (e.g., atmospheric discharge, run off), and natural production (e.g., soils, fungi, algae, microorganisms) are difficult to quantify. The widespread occurrence of both alkyl and aryl halides in groundwater, surface water, soils, and various trophic food chains, even those not affected by known point sources, suggests a substantial biogeochemical cycling of these compounds (Wania and Mackay, 1996; Adriaens et al., 1999; Gruden et al., 2003). The transport and reactive fate mechanisms controlling their reactivity are compounded by the differences in sources of alkyl-, aryl-, and complex organic halides, and the largely unknown impact of biogenic processes, such as enzymatically mediated halogenation of organic matter, fungal production of halogenated hydrocarbons, and microbial or abiotic transformation reactions (e.g., Asplund and Grimvall, 1991; Gribble, 1996; Watling and Harper, 1998; Oberg, 2002). The largest source may be the natural halogenation processes in the terrestrial environment, as the quantities detected often exceed the amount that can be explained by human activities in the surrounding areas ( Oberg, 1998). Since biogeochemical processes result in the distribution of a wide range of halogenated hydrocarbon profiles, altered chemical structures, and isomer distributions in natural systems, source apportionment (or environmental forensics) can often only be resolved using multivariate statistical methods (e.g., Goovaerts, 1998; Barabas et al., 2003; Murphy and Morrison, 2002).This chapter will describe the widespread occurrence of halogenated hydrocarbons, interpret their distribution and biogeochemical cycling in light of

Studies on halogen quenching through the Stern-Volmer plot

International Nuclear Information System (INIS)

Takiue, Makoto; Ishikawa, Hiroaki.

1978-01-01

The quenching effect for halogenated benzenes, methanes and ethanes have been investigated. The halogen quenching was accurately measured using the internal conversion electrons emitted from 113 Sn-sup(113m)In. From the quenching constants determined by the Stern-Volmer plots with respect to various halogen quenchers, the following results have been obtained. (1) The quenching constants increase with the number of halogen substituents, so as linearly in halogenated benzenes and exponentially in halogenated methanes and ethanes. Even the isomers of halogenides have different quenching constants. (2) There is a linearity between logarithm of the quenching constant and a polarographic half-wave reduction potential. (3) Electron excitation provides larger quenching constants than UV excitation for halogenated methanes. Based on these results, the mechanism of halogen quenching have been discussed in connection with the exciplex formation. (auth.)

Independent Evolution of Six Families of Halogenating Enzymes.

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Xu, Gangming; Wang, Bin-Gui

2016-01-01

Halogenated natural products are widespread in the environment, and the halogen atoms are typically vital to their bioactivities. Thus far, six families of halogenating enzymes have been identified: cofactor-free haloperoxidases (HPO), vanadium-dependent haloperoxidases (V-HPO), heme iron-dependent haloperoxidases (HI-HPO), non-heme iron-dependent halogenases (NI-HG), flavin-dependent halogenases (F-HG), and S-adenosyl-L-methionine (SAM)-dependent halogenases (S-HG). However, these halogenating enzymes with similar biological functions but distinct structures might have evolved independently. Phylogenetic and structural analyses suggest that the HPO, V-HPO, HI-HPO, NI-HG, F-HG, and S-HG enzyme families may have evolutionary relationships to the α/β hydrolases, acid phosphatases, peroxidases, chemotaxis phosphatases, oxidoreductases, and SAM hydroxide adenosyltransferases, respectively. These halogenating enzymes have established sequence homology, structural conservation, and mechanistic features within each family. Understanding the distinct evolutionary history of these halogenating enzymes will provide further insights into the study of their catalytic mechanisms and halogenation specificity.

Development of halogen-free flame-retardant cable for nuclear power plant. 2

International Nuclear Information System (INIS)

Matsumoto, Tetsuo; Kimura, Hitoshi; Ishii, Nobuhisa

1997-01-01

Halogen-free flame-retardant cables were developed for PWR nuclear power stations. It was confirmed that the developed cables possess flame retardant property, corrosion resistance, low toxicity and low smoke generation, and withstand the normal operation in the environment in PWR containment vessels for 60 years and loss of coolant accident. In the advancement of LWR technology, it is important to improve the reliability of machinery and equipment, to extend the period of continuous operation, to optimize the operation cycle and to improve the maintenance of plants. By improving halogen-free flame-retardant material and applying it to the cables for nuclear power stations, it can contribute to the above purposes. The required characteristics of these cables are explained, and the targets of development are power cables, control cables, instrumentation cables and insulated wires which do not contain halogen. The basic material is polyolefin, in which flame retardant magnesium hydroxide and the agent for improving radiation resistance are mixed. The corrosive property and toxicity of gases, smoke generation and the prevention of spread of flame when the cables burn and the durability in environment were evaluated. (K.I.)

Passivation of quartz for halogen-containing light sources

Science.gov (United States)

Falkenstein, Zoran

1999-01-01

Lifetime of halogen containing VUV, UV, visible or IR light sources can be extended by passivating the quartz or glass gas containers with halogens prior to filling the quartz with the halogen and rare gas mixtures used to produce the light.

METHOD FOR PRODUCING ISOTOPIC METHANES AND PARTIALLY HALOGENATED DERIVATIVES THEROF

Science.gov (United States)

Frazer, J.W.

1959-08-18

A method is given for producing isotopic methanes and/ or partially halogenated derivatives. Lithium hydride, deuteride, or tritide is reacted with a halogenated methane or with a halogenated methane in combination with free halogen. The process is conveniently carried out by passing a halogenated methane preferably at low pressures or in an admixture with an inert gas through a fixed bed of finely divided lithium hydride heated initially to temperatures of 100 to 200 deg C depending upon the halogenated methane used.

Organic halogens in spruce forest throughfall

DEFF Research Database (Denmark)

Öberg, G.; Johansen, C.; Grøn, C.

1998-01-01

. No relationship between the position of the collectors and the forest edge or dominating wind-direction was found, suggesting that dry deposition was not a major source. The concentration of organic halogens was related to that of organic carbon and decreased from the tree-trunk and outwards. In addition......, the concentrations were higher during the growing season than during the dormant season. This indicates that the major part of the organic carbon and organic halogens in spruce forest throughfall originates from canopy leachates or other internal sources. (C) 1998 Elsevier Science Ltd.......Deposition of dissolved organic halogens by throughfall was determined in a small spruce forest site in Denmark (56 degrees 28'N, 8 degrees 24'E). The mean annual deposition of dissolved organic halogens was 377 g ha(-1)yr(-1), and larger than the general deposition by precipitation...

π-Stacking, C-H/π, and halogen bonding interactions in bromobenzene and mixed bromobenzene-benzene clusters.

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Reid, Scott A; Nyambo, Silver; Muzangwa, Lloyd; Uhler, Brandon

2013-12-19

Noncovalent interactions play an important role in many chemical and biochemical processes. Building upon our recent study of the homoclusters of chlorobenzene, where π-π stacking and CH/π interactions were identified as the most important binding motifs, in this work we present a study of bromobenzene (PhBr) and mixed bromobenzene-benzene clusters. Electronic spectra in the region of the PhBr monomer S0-S1 (ππ*) transition were obtained using resonant two-photon ionization (R2PI) methods combined with time-of-flight mass analysis. As previously found for related systems, the PhBr cluster spectra show a broad feature whose center is red-shifted from the monomer absorption, and electronic structure calculations indicate the presence of multiple isomers and Franck-Condon activity in low-frequency intermolecular modes. Calculations at the M06-2X/aug-cc-pVDZ level find in total eight minimum energy structures for the PhBr dimer: four π-stacked structures differing in the relative orientation of the Br atoms (denoted D1-D4), one T-shaped structure (D5), and three halogen bonded structures (D6-D8). The calculated binding energies of these complexes, corrected for basis set superposition error (BSSE) and zero-point energy (ZPE), are in the range of -6 to -24 kJ/mol. Time-dependent density functional theory (TDDFT) calculations predict that these isomers absorb over a range that is roughly consistent with the breadth of the experimental spectrum. To examine the influence of dipole-dipole interaction, R2PI spectra were also obtained for the mixed PhBr···benzene dimer, where the spectral congestion is reduced and clear vibrational structure is observed. This structure is well-simulated by Franck-Condon calculations that incorporate the lowest frequency intermolecular modes. Calculations find four minimum energy structures for the mixed dimer and predict that the binding energy of the global minimum is reduced by ~30% relative to the global minimum PhBr dimer

New Type of Halogen Bond: Multivalent Halogen Interacting with π- and σ-Electrons

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Sławomir J. Grabowski

2017-12-01

Full Text Available MP2/aug-cc-pVTZ calculations were performed for complexes of BrF3 and BrF5 acting as Lewis acids through the bromine centre, with species playing a role of Lewis base: dihydrogen, acetylene, ethylene, and benzene. The molecular hydrogen donates electrons by its σ-bond, while in remaining moieties—in complexes of hydrocarbons; such an electron transfer follows from π-electrons. The complexes are linked by a kind of the halogen bond that is analyzed for the first time in this study, i.e., it is the link between the multivalent halogen and π or σ-electrons. The nature of such a halogen bond is discussed, as well as various dependencies and correlations are presented. Different approaches are applied here, the Quantum Theory of Atoms in Molecules, Natural Bond Orbital method, the decomposition of the energy of interaction, the analysis of electrostatic potentials, etc.

Mid-latitude Ozone Depletion Events Caused by Halogens from the Great Salt Lake in Utah

Science.gov (United States)

Fibiger, D. L.; Goldberger, L.; Womack, C.; McDuffie, E. E.; Dube, W. P.; Franchin, A.; Middlebrook, A. M.; Thornton, J. A.; Brown, S. S.

2017-12-01

Halogens are highly reactive chemicals and play an important role in atmospheric chemistry. They can be involved in many cycles which influence the oxidizing capacity of the atmosphere, including through destruction of ozone (O3). While the influence of halogens on O3 is well documented in the arctic, there are very few observations of O3 depletion driven by halogens in the mid-latitudes. To date, the most comprehensive study observed co-occurring plumes of BrO and depleted O3 near the Dead Sea in 1997. During the Utah Wintertime Fine Particulate Study (UWFPS) in winter 2017, simultaneous measurements of a comprehensive suite of halogen measurements by I- chemical ionization mass spectrometry and O3 from cavity ring-down spectroscopy, both at 1-second time resolution, were taken on a NOAA Twin Otter Aircraft over the Great Salt Lake and in the surrounding valleys. Many O3 depletion events were observed over the lake with O3 values sometimes below the instrument detection limit of 0.5 ppbv. Corresponding increases in BrO and/or ClO were observed. Many of these events were caused by extremely high levels of halogens (up to 1 ppmv Cl2) emitted from the U.S. Magnesium plant on the edge of the lake. The O3 depletion caused by U.S. Magnesium was usually isolated to a distinct vertical layer, but in other cases O3 depletion was vertically mixed and the origin of halogen activation was not immediately clear. The most complete O3 depletion was observed over the lake, but there were smaller events of a few ppbv observed in the adjacent valleys, including the highly populated Salt Lake Valley, with corresponding plumes of BrO and ClO, due to transport from the lake. Additionally, meteorology played a role in the observed O3 depletion. The strongest O3 depletion was observed during inversion events, when there is a low boundary layer and little mixing out of the air above the lake. During non-inversion conditions, only small depletions were observed, covering a much smaller

Experimental and computational evidence of halogen bonds involving astatine

Science.gov (United States)

Guo, Ning; Maurice, Rémi; Teze, David; Graton, Jérôme; Champion, Julie; Montavon, Gilles; Galland, Nicolas

2018-03-01

The importance of halogen bonds—highly directional interactions between an electron-deficient σ-hole moiety in a halogenated compound and an acceptor such as a Lewis base—is being increasingly recognized in a wide variety of fields from biomedicinal chemistry to materials science. The heaviest halogens are known to form stronger halogen bonds, implying that if this trend continues down the periodic table, astatine should exhibit the highest halogen-bond donating ability. This may be mitigated, however, by the relativistic effects undergone by heavy elements, as illustrated by the metallic character of astatine. Here, the occurrence of halogen-bonding interactions involving astatine is experimentally evidenced. The complexation constants of astatine monoiodide with a series of organic ligands in cyclohexane solution were derived from distribution coefficient measurements and supported by relativistic quantum mechanical calculations. Taken together, the results show that astatine indeed behaves as a halogen-bond donor—a stronger one than iodine—owing to its much more electrophilic σ-hole.

Performance analysis of photoresistor and phototransistor for automotive’s halogen and xenon bulbs light output

Science.gov (United States)

Rammohan, A.; Kumar, C. Ramesh

2017-11-01

Illumination of any light is measured using a different kind of calibrated equipment’s available in the market such as a goniometer, spectral radiometer, photometer, Lux meter and camera based systems which directly display the illumination of automotive headlights light distribution in the unit of lux, foot-candles, lumens/sq. ft. and Lambert etc., In this research, we dealt with evaluating the photo resistor or Light Dependent Resistor (LDR) and phototransistor whether it is useful for sensing light patterns of Automotive Halogen and Xenon bulbs. The experiments are conducted during night hours under complete dark space. We have used the headlamp setup available in TATA SUMO VICTA vehicle in the Indian market and conducted the experiments separately for Halogen and Xenon bulbs under low and high beam operations at various degrees and test points within ten meters of distance. Also, we have compared the light intensity of halogen and xenon bulbs to prove the highest light intensity between halogen and Xenon bulbs. After doing a rigorous test with these two sensors it is understood both are good to sensing beam pattern of automotive bulbs and even it is good if we use an array of sensors or a mixed combination of sensors for measuring illumination purposes under perfect calibrations.

Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes

Science.gov (United States)

Oliveira, Vytor; Cremer, Dieter

2017-08-01

Utilizing all-electron Dirac-exact relativistic calculations with the Normalized Elimination of the Small Component (NESC) method and the local vibrational mode approach, the transition from metal-halide to metal halogen bonding is determined for Au-complexes interacting with halogen-donors. The local stretching force constants of the metal-halogen interactions reveal a smooth transition from weak non-covalent halogen bonding to non-classical 3-center-4-electron bonding and finally covalent metal-halide bonding. The strongest halogen bonds are found for dialkylaurates interacting with Cl2 or FCl. Differing trends in the intrinsic halogen-metal bond strength, the binding energy, and the electrostatic potential are explained.

Model study of multiphase DMS oxidation with a focus on halogens

Directory of Open Access Journals (Sweden)

R. von Glasow

2004-01-01

Full Text Available We studied the oxidation of dimethylsulfide (DMS in the marine boundary layer (MBL with a one-dimensional numerical model and focused on the influence of halogens. Our model runs show that there is still significant uncertainty about the end products of the DMS addition pathway, which is especially caused by uncertainty in the product yield of the reaction of the intermediate product methyl sulfinic acid (MSIA with OH. BrO strongly increases the importance of the addition branch in the oxidation of DMS even when present at mixing ratios smaller than 0.5pmol mol-1. The inclusion of halogen chemistry leads to higher DMS oxidation rates and smaller DMS to SO2 conversion efficiencies. The DMS to SO2 conversion efficiency is also drastically reduced under cloudy conditions. In cloud-free model runs between 5 and 15% of the oxidized DMS reacts further to particulate sulfur, in cloudy runs this fraction is almost 100%. Sulfate production by HOClaq and HOBraq is important in cloud droplets even for small Br- deficits and related small gas phase halogen concentrations. In general, more particulate sulfur is formed when halogen chemistry is included. A possible enrichment of HCO3- in fresh sea salt aerosol would increase pH values enough to make the reaction of S(IV* (=SO2,aq+HSO3-+SO32- with O3 dominant for sulfate production. It leads to a shift from methyl sulfonic acid (MSA to non-sea salt sulfate (nss-SO42- production but increases the total nss-SO42- only somewhat because almost all available sulfur is already oxidized to particulate sulfur in the base scenario. We discuss how realistic this is for the MBL. We found the reaction MSAaq+OH to contribute about 10% to the production of nss-SO42- in clouds. It is unimportant for cloud-free model runs. Overall we find that the presence of halogens leads to processes that decrease the albedo of stratiform clouds in the MBL.

Suicide attempts in major depressive episode: evidence from the BRIDGE-II-Mix study.

Science.gov (United States)

Popovic, Dina; Vieta, Eduard; Azorin, Jean-Michel; Angst, Jules; Bowden, Charles L; Mosolov, Sergey; Young, Allan H; Perugi, Giulio

2015-11-01

The Bipolar Disorders: Improving Diagnosis, Guidance, and Education (BRIDGE-II-Mix) study aimed to estimate the frequency of mixed states in patients with a major depressive episode (MDE) according to different definitions and to compare their clinical validity, looking into specific features such as suicidality. A total of 2,811 subjects were enrolled in this multicenter cross-sectional study. Psychiatric symptoms, and sociodemographic and clinical variables were collected. The analysis compared the characteristics of patients with MDE with (MDE-SA group) and without (MDE-NSA) a history of suicide attempts. The history of suicide attempts was registered in 628 patients (22.34%). In the MDE-SA group, women (72.5%, p = 0.028), (hypo)mania in first-degree relatives (20.5%, p suicide attempts. In the MDE-SA group, 75 patients (11.9%) fulfilled Diagnostic and Statistical Manual (DSM)-5 criteria for MDE with mixed features, and 250 patients (39.8%) fulfilled research-based diagnostic criteria for a mixed depressive episode. Important differences between MDE-SA and MDE-NSA patients have emerged. Early identification of symptoms such as risky behavior, psychomotor agitation, and impulsivity in patients with MDE, and treatment of mixed depressive states could represent a major step in suicide prevention. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Removal of Intermediate Aromatic Halogenated DBPs by Activated Carbon Adsorption: A New Approach to Controlling Halogenated DBPs in Chlorinated Drinking Water.

Science.gov (United States)

Jiang, Jingyi; Zhang, Xiangru; Zhu, Xiaohu; Li, Yu

2017-03-21

During chlorine disinfection of drinking water, chlorine may react with natural organic matter (NOM) and bromide ion in raw water to generate halogenated disinfection byproducts (DBPs). To mitigate adverse effects from DBP exposure, granular activated carbon (GAC) adsorption has been considered as one of the best available technologies for removing NOM (DBP precursor) in drinking water treatment. Recently, we have found that many aromatic halogenated DBPs form in chlorination, and they act as intermediate DBPs to decompose and form commonly known DBPs including trihalomethanes and haloacetic acids. In this work, we proposed a new approach to controlling drinking water halogenated DBPs by GAC adsorption of intermediate aromatic halogenated DBPs during chlorination, rather than by GAC adsorption of NOM prior to chlorination (i.e., traditional approach). Rapid small-scale column tests were used to simulate GAC adsorption in the new and traditional approaches. Significant reductions of aromatic halogenated DBPs were observed in the effluents with the new approach; the removals of total organic halogen, trihalomethanes, and haloacetic acids by the new approach always exceeded those by the traditional approach; and the effluents with the new approach were considerably less developmentally toxic than those with the traditional approach. Our findings indicate that the new approach is substantially more effective in controlling halogenated DBPs than the traditional approach.

The halogen bond: Nature and applications

Science.gov (United States)

Costa, Paulo J.

2017-10-01

The halogen bond, corresponding to an attractive interaction between an electrophilic region in a halogen (X) and a nucleophile (B) yielding a R-X⋯B contact, found applications in many fields such as supramolecular chemistry, crystal engineering, medicinal chemistry, and chemical biology. Their large range of applications also led to an increased interest in their study using computational methods aiming not only at understanding the phenomena at a fundamental level, but also to help in the interpretation of results and guide the experimental work. Herein, a succinct overview of the recent theoretical and experimental developments is given starting by discussing the nature of the halogen bond and the latest theoretical insights on this topic. Then, the effects of the surrounding environment on halogen bonds are presented followed by a presentation of the available method benchmarks. Finally, recent experimental applications where the contribution of computational chemistry was fundamental are discussed, thus highlighting the synergy between the lab and modeling techniques.

Versatile lanthanide-azide complexes with azide/carboxylate/hydroxy mixed bridged chain exhibiting magnetic and luminescent properties

International Nuclear Information System (INIS)

Wang Haichao; Xue Min; Guo Qian; Zhao Jiongpeng; Liu Fuchen; Ribas, Joan

2012-01-01

Two new lanthanide-azide complexes, [Ln 2 (N 3 )(isonic) 2 (OH) 3 (Hisonic)(H 2 O)] n (Ln=Yb for 1 and Tb for 2, isonic=isonicotinate), were obtained in hydrothermal condition. X-ray diffraction analysis indicated the two complexes are isomorphic chain structure in which the Ln III ions are mixed bridged by the azide anions, hydroxyl anions and carboxylate groups of the isonicotinate ligands. Further studies indicated weak antiferromagnetic interactions between the Ln III ions in 1 and 2, and complex 2 exhibit green sensitized Luminescent character of Tb III ion. - Graphical abstract: Two new 1D lanthanide-azide complexes, [Ln 2 (N 3 )(isonic) 2 (OH) 3 (Hisonic)(H 2 O)] n (Ln=Yb III for 1 and Tb III for 2, isonic=isonicotinate), were synthesized by hydrothermal reaction and exhibit interesting magnetism and fluorescence properties. Highlights: ► The research provided a new method for synthesizing lanthanide-azide complexes. ► The complexes have an interesting azide/hydroxyl/carboxylate mixed bridged1D chain structure. ► The antiferromagnetic coupling between the complexes and 2 displays green luminescence.

Enzymatic Halogenation and Dehalogenation Reactions: Pervasive and Mechanistically Diverse.

Science.gov (United States)

Agarwal, Vinayak; Miles, Zachary D; Winter, Jaclyn M; Eustáquio, Alessandra S; El Gamal, Abrahim A; Moore, Bradley S

2017-04-26

Naturally produced halogenated compounds are ubiquitous across all domains of life where they perform a multitude of biological functions and adopt a diversity of chemical structures. Accordingly, a diverse collection of enzyme catalysts to install and remove halogens from organic scaffolds has evolved in nature. Accounting for the different chemical properties of the four halogen atoms (fluorine, chlorine, bromine, and iodine) and the diversity and chemical reactivity of their organic substrates, enzymes performing biosynthetic and degradative halogenation chemistry utilize numerous mechanistic strategies involving oxidation, reduction, and substitution. Biosynthetic halogenation reactions range from simple aromatic substitutions to stereoselective C-H functionalizations on remote carbon centers and can initiate the formation of simple to complex ring structures. Dehalogenating enzymes, on the other hand, are best known for removing halogen atoms from man-made organohalogens, yet also function naturally, albeit rarely, in metabolic pathways. This review details the scope and mechanism of nature's halogenation and dehalogenation enzymatic strategies, highlights gaps in our understanding, and posits where new advances in the field might arise in the near future.

Molecular activation analysis for organo-halogen contaminants in yogurt

International Nuclear Information System (INIS)

Zhang Hong; Chai Zhifang

2004-01-01

The concentrations of total halogen (TX), extractable organo-halogen (EOX), extractable persistent organo-halogen (EPOX), organo-chlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in 18 different yogurt specimens of 14 brands from Beijing, Tianjin, Shanghai, Guangzhou and Shijiazhuang were determined by epithermal neutron activation analysis (ENAA), molecular activation analysis (MAA) and GC-Mass Spectrometry (GC-MS), respectively. The results indicated that the halogen in yogurt mainly existed as inorganic species and non-extractable organo-halogen compounds. About 1/3 to 1/4 of EOX was EPOX. Further, EOCl and EPOCl were the main organo-halogen species in yogurt. The average concentration of the unknown organo-chlorine was 96% of the EPOCl. HCHs and DDTs were still the main contaminants of OCPs in the yogurt of interest. Also, PCB202, PCB103 and PCB208 were the main contaminants of PCBs. (authors)

FIELD SCREENING FOR HALOGENATED VOLATILE ORGANIC COMPOUNDS

Energy Technology Data Exchange (ETDEWEB)

John F. Schabron; Joseph F. Rovani Jr.; Theresa M. Bomstad

2002-06-01

Western Research Institute (WRI) initiated exploratory work towards the development of new field screening methodology and a test kit to measure halogenated volatile organic compounds (VOCs) in the field. Heated diode and corona discharge sensors are commonly used to detect leaks of refrigerants from air conditioners, freezers, and refrigerators. They are both selective to the presence of carbon-halogen bonds. Commercially available heated diode and corona discharge leak detectors were procured and evaluated for halogenated VOC response. The units were modified to provide a digital readout of signal related to VOC concentration. Sensor response was evaluated with carbon tetrachloride and tetrachloroethylene (perchloroethylene, PCE), which represent halogenated VOCs with and without double bonds. The response characteristics were determined for the VOCs directly in headspace in Tedlar bag containers. Quantitation limits in air were estimated. Potential interferences from volatile hydrocarbons, such as toluene and heptane, were evaluated. The effect of humidity was studied also. The performance of the new devices was evaluated in the laboratory by spiking soil samples and monitoring headspace for halogenated VOCs. A draft concept of the steps for a new analytical method was outlined. The results of the first year effort show that both devices show potential utility for future analytical method development work towards the goal of developing a portable test kit for screening halogenated VOCs in the field.

Halogens in chondritic meteorites and terrestrial accretion

Science.gov (United States)

Clay, Patricia L.; Burgess, Ray; Busemann, Henner; Ruzié-Hamilton, Lorraine; Joachim, Bastian; Day, James M. D.; Ballentine, Christopher J.

2017-11-01

Volatile element delivery and retention played a fundamental part in Earth’s formation and subsequent chemical differentiation. The heavy halogens—chlorine (Cl), bromine (Br) and iodine (I)—are key tracers of accretionary processes owing to their high volatility and incompatibility, but have low abundances in most geological and planetary materials. However, noble gas proxy isotopes produced during neutron irradiation provide a high-sensitivity tool for the determination of heavy halogen abundances. Using such isotopes, here we show that Cl, Br and I abundances in carbonaceous, enstatite, Rumuruti and primitive ordinary chondrites are about 6 times, 9 times and 15-37 times lower, respectively, than previously reported and usually accepted estimates. This is independent of the oxidation state or petrological type of the chondrites. The ratios Br/Cl and I/Cl in all studied chondrites show a limited range, indistinguishable from bulk silicate Earth estimates. Our results demonstrate that the halogen depletion of bulk silicate Earth relative to primitive meteorites is consistent with the depletion of lithophile elements of similar volatility. These results for carbonaceous chondrites reveal that late accretion, constrained to a maximum of 0.5 ± 0.2 per cent of Earth’s silicate mass, cannot solely account for present-day terrestrial halogen inventories. It is estimated that 80-90 per cent of heavy halogens are concentrated in Earth’s surface reservoirs and have not undergone the extreme early loss observed in atmosphere-forming elements. Therefore, in addition to late-stage terrestrial accretion of halogens and mantle degassing, which has removed less than half of Earth’s dissolved mantle gases, the efficient extraction of halogen-rich fluids from the solid Earth during the earliest stages of terrestrial differentiation is also required to explain the presence of these heavy halogens at the surface. The hydropilic nature of halogens, whereby they track

Organic halogen compounds in the environment

International Nuclear Information System (INIS)

1979-07-01

There are 20 research reports on selected problems concerning the analysis, the occurence, and the behaviour of a wide spectrum of organic halogen compounds. The work was carried out in the framework of the project 'Organic Halogen Compounds in the Environment', financed by the BMFT, between 1975 and 1978. (orig.) [de

Process for removal of hydrogen halides or halogens from incinerator gas

Science.gov (United States)

Huang, H.S.; Sather, N.F.

1987-08-21

A process for reducing the amount of halogens and halogen acids in high temperature combustion gas and through their removal, the formation of halogenated organics at lower temperatures, with the reduction being carried out electrochemically by contacting the combustion gas with the negative electrode of an electrochemical cell and with the halogen and/or halogen acid being recovered at the positive electrode.

Challenging the unipolar-bipolar division: does mixed depression bridge the gap?

Science.gov (United States)

Benazzi, Franco

2007-01-30

Mixed states, i.e., opposite polarity symptoms in the same mood episode, question the categorical splitting of mood disorders in bipolar disorders and unipolar depressive disorders, and may support a continuum between these disorders. Study aim was to find if there were a continuum between hypomania (defining BP-II) and depression (defining MDD), by testing mixed depression as a 'bridge' linking these two disorders. A correlation between intradepressive hypomanic symptoms and depressive symptoms could support such a continuum, but other explanations of a correlation are possible. Consecutive 389 BP-II and 261 MDD major depressive episode (MDE) outpatients were interviewed, cross-sectionally, with the Structured Clinical Interview for DSM-IV, the Hypomania Interview Guide (to assess intradepressive hypomanic symptoms) and the Family History Screen, by a mood disorders specialist psychiatrist in a private practice. Patients presented voluntarily for treatment of depression when interviewed drug-free and had many subsequent follow-ups after treatment start. Mixed depression (depressive mixed state) was defined as the combination of MDE (depression) and three or more DSM-IV intradepressive hypomanic symptoms (elevated mood and increased self-esteem were always absent by definition), a definition validated by Akiskal and Benazzi. BP-II, versus MDD, had significantly lower age at onset, more recurrences, atypical and mixed depressions, bipolar family history, MDE symptoms and intradepressive hypomanic symptoms. Mixed depression was present in 64.5% of BP-II and in 32.1% of MDD (p=0.000). There was a significant correlation between number of MDE symptoms and number of intradepressive hypomanic symptoms. A dose-response relationship between frequency of mixed depression and number of MDE symptoms was also found. Differences on classic diagnostic validators could support a division between BP-II and MDD. Presence of intradepressive hypomanic symptoms by itself, and

Computational Tools To Model Halogen Bonds in Medicinal Chemistry.

Science.gov (United States)

Ford, Melissa Coates; Ho, P Shing

2016-03-10

The use of halogens in therapeutics dates back to the earliest days of medicine when seaweed was used as a source of iodine to treat goiters. The incorporation of halogens to improve the potency of drugs is now fairly standard in medicinal chemistry. In the past decade, halogens have been recognized as direct participants in defining the affinity of inhibitors through a noncovalent interaction called the halogen bond or X-bond. Incorporating X-bonding into structure-based drug design requires computational models for the anisotropic distribution of charge and the nonspherical shape of halogens, which lead to their highly directional geometries and stabilizing energies. We review here current successes and challenges in developing computational methods to introduce X-bonding into lead compound discovery and optimization during drug development. This fast-growing field will push further development of more accurate and efficient computational tools to accelerate the exploitation of halogens in medicinal chemistry.

Ozone Depletion in Tropospheric Volcanic Plumes: From Halogen-Poor to Halogen-Rich Emissions

Directory of Open Access Journals (Sweden)

Tjarda J. Roberts

2018-02-01

Full Text Available Volcanic halogen emissions to the troposphere undergo a rapid plume chemistry that destroys ozone. Quantifying the impact of volcanic halogens on tropospheric ozone is challenging, only a few observations exist. This study presents measurements of ozone in volcanic plumes from Kīlauea (HI, USA, a low halogen emitter. The results are combined with published data from high halogen emitters (Mt Etna, Italy; Mt Redoubt, AK, USA to identify controls on plume processes. Ozone was measured during periods of relatively sustained Kīlauea plume exposure, using an Aeroqual instrument deployed alongside Multi-Gas SO2 and H2S sensors. Interferences were accounted for in data post-processing. The volcanic H2S/SO2 molar ratio was quantified as 0.03. At Halema‘uma‘u crater-rim, ozone was close to ambient in the emission plume (at 10 ppmv SO2. Measurements in grounding plume (at 5 ppmv SO2 about 10 km downwind of Pu‘u ‘Ō‘ō showed just slight ozone depletion. These Kīlauea observations contrast with substantial ozone depletion reported at Mt Etna and Mt Redoubt. Analysis of the combined data from these three volcanoes identifies the emitted Br/S as a strong but non-linear control on the rate of ozone depletion. Model simulations of the volcanic plume chemistry highlight that the proportion of HBr converted into reactive bromine is a key control on the efficiency of ozone depletion. This underlines the importance of chemistry in the very near-source plume on the fate and atmospheric impacts of volcanic emissions to the troposphere.

Effects of hydrodynamic mixing intensity coupled with ionic strength on the initial stage dynamics of bridging flocculation of polystyrene latex particles with polyelectrolyte

NARCIS (Netherlands)

Adachi, Y.; Matsumoto, T.; Cohen Stuart, M.A.

2002-01-01

Effects of hydrodynamic mixing intensity on the initial stage dynamics of bridging flocculation induced by adsorbing polyelectrolyte were analyzed as an extension of previous report on the effect of ionic strength (J. Coll. Int. Sci. 204 (1998) 328). Mixing condition were changed by adopting forked

Retention of Halogens in Waste Glass

Energy Technology Data Exchange (ETDEWEB)

Hrma, Pavel R.

2010-05-01

In spite of their potential roles as melting rate accelerators and foam breakers, halogens are generally viewed as troublesome components for glass processing. Of five halogens, F, Cl, Br, I, and At, all but At may occur in nuclear waste. A nuclear waste feed may contain up to 10 g of F, 4 g of Cl, and ≤100 mg of Br and I per kg of glass. The main concern is halogen volatility, producing hazardous fumes and particulates, and the radioactive iodine 129 isotope of 1.7x10^7-year half life. Because F and Cl are soluble in oxide glasses and tend to precipitate on cooling, they can be retained in the waste glass in the form of dissolved constituents or as dispersed crystalline inclusions. This report compiles known halogen-retention data in both high-level waste (HLW) and low-activity waste (LAW) glasses. Because of its radioactivity, the main focus is on I. Available data on F and Cl were compiled for comparison. Though Br is present in nuclear wastes, it is usually ignored; no data on Br retention were found.

Quantitative Analysis of Mixed Halogen Dioxins and Furans in Fire Debris Utilizing Atmospheric Pressure Ionization Gas Chromatography-Triple Quadrupole Mass Spectrometry.

Science.gov (United States)

Organtini, Kari L; Myers, Anne L; Jobst, Karl J; Reiner, Eric J; Ross, Brian; Ladak, Adam; Mullin, Lauren; Stevens, Douglas; Dorman, Frank L

2015-10-20

Residential and commercial fires generate a complex mixture of volatile, semivolatile, and nonvolatile compounds. This study focused on the semi/nonvolatile components of fire debris to better understand firefighter exposure risks. Using the enhanced sensitivity of gas chromatography coupled to atmospheric pressure ionization-tandem mass spectrometry (APGC-MS/MS), complex fire debris samples collected from simulation fires were analyzed for the presence of potentially toxic polyhalogenated dibenzo-p-dioxins and dibenzofurans (PXDD/Fs and PBDD/Fs). Extensive method development was performed to create multiple reaction monitoring (MRM) methods for a wide range of PXDD/Fs from dihalogenated through hexa-halogenated homologue groups. Higher halogenated compounds were not observed due to difficulty eluting them off the long column used for analysis. This methodology was able to identify both polyhalogenated (mixed bromo-/chloro- and polybromo-) dibenzo-p-dioxins and dibenzofurans in the simulated burn study samples collected, with the dibenzofuran species being the dominant compounds in the samples. Levels of these compounds were quantified as total homologue groups due to the limitations of commercial congener availability. Concentration ranges in household simulation debris were observed at 0.01-5.32 ppb (PXDFs) and 0.18-82.11 ppb (PBDFs). Concentration ranges in electronics simulation debris were observed at 0.10-175.26 ppb (PXDFs) and 0.33-9254.41 ppb (PBDFs). Samples taken from the particulate matter coating the firefighters' helmets contained some of the highest levels of dibenzofurans, ranging from 4.10 ppb to 2.35 ppm. The data suggest that firefighters and first responders at fire scenes are exposed to a complex mixture of potentially hundreds to thousands of different polyhalogenated dibenzo-p-dioxins and dibenzofurans that could negatively impact their health.

Halogen-Mediated Conversion of Hydrocarbons to Commodities.

Science.gov (United States)

Lin, Ronghe; Amrute, Amol P; Pérez-Ramírez, Javier

2017-03-08

Halogen chemistry plays a central role in the industrial manufacture of various important chemicals, pharmaceuticals, and polymers. It involves the reaction of halogens or halides with hydrocarbons, leading to intermediate compounds which are readily converted to valuable commodities. These transformations, predominantly mediated by heterogeneous catalysts, have long been successfully applied in the production of polymers. Recent discoveries of abundant conventional and unconventional natural gas reserves have revitalized strong interest in these processes as the most cost-effective gas-to-liquid technologies. This review provides an in-depth analysis of the fundamental understanding and applied relevance of halogen chemistry in polymer industries (polyvinyl chloride, polyurethanes, and polycarbonates) and in the activation of light hydrocarbons. The reactions of particular interest include halogenation and oxyhalogenation of alkanes and alkenes, dehydrogenation of alkanes, conversion of alkyl halides, and oxidation of hydrogen halides, with emphasis on the catalyst, reactor, and process design. Perspectives on the challenges and directions for future development in this exciting field are provided.

E. S. R. studies of halogenated pyrimidines in. gamma. -irradiated alkaline glasses. [Halogenated uracil bases; bromouridine; bromodeoxyuridine

Energy Technology Data Exchange (ETDEWEB)

Simpson, L D; Zimbrick, J D [Kansas Univ., Lawrence (USA)

1975-11-01

The reactions of mobile electrons (e/sup -//sub m/) and oxygen radical anions (O./sup -/) with halogenated bases and nucleosides have been studied in ..gamma..-irradiated alkaline glasses by e.s.r. and specific halogen-ion electrode techniques. It was shown that electrons react with halogenated uracil bases (XUr where X = Cl, Br, I but not F) by dissociative electron attachment to form uracil-5-yl radicals (U.) and halogen anions. The relative rates of reaction of e/sup -//sub m/ with XUr decreased in the sequence BrUr > ClUr > FUr > IUr. Thermal annealing studies carried out on U. in H/sub 2/O and D/sub 2/O matrices supported the hypothesis that U. in H/sub 2/O hydrates across the 5-6 double bond in the temperature region 135/sup 0/ to 155/sup 0/ K, and deuterates to a much smaller extent in D/sub 2/O at temperatures above 155/sup 0/ K. Studies on bromouridine and bromodeoxyuridine suggested that e/sup -/sub(m) reacts with the base moieties to form U. type radicals which abstract H. from the sugar moieties of adjacent nucleosides.

Long-term Studies of Marine Halogen Release

Science.gov (United States)

Tschritter, J.; Holla, R.; Frieß, U.; Platt, U.

2009-04-01

Institute of Enviromental Physics, Heidelberg, Germany. Long term measurements of atmospheric trace gases using multi-axis DOAS instruments are pursued at the new SOLAS observatory on the island of Sao Vicente, (Cape Verde). This research is part of the SOPRAN (Surface Ocean Processes in the ANthropocene) project (Fördernummer:03F0462F). Reactive halogen species (RHS) such as bromine- and iodine- containing species play major roles in the chemistry of ozone in both the troposphere and lower stratosphere and thus possibly influence the ozone budget on a global scale. In addition iodine-species emitted from the ocean surface have been shown to be responsible for the production of new atmospheric particles in the marine boundary layer. This may have an effect on cloud formation and radiation transfer on local and global scales. Long term measurements of RHS abundances will help to identify their key regions and processes for formation. A new long term Multi-MAX-DOAS instrument has been installed at the SOLAS observatory on the island of Sao Vicente, (Cape Verde). The main focus of these unique measurements is the investigation of reactive halogen chemistry in the subtropical marine boundary layer based on measurements of BrO, IO, and possibly OIO. Because of its wide spectral range also the use for O4-retrievals to gain aerosol profiles is possible. IO has been detected with mixing ratios up to 1.3 ppt. For BrO an upper limit of 2 ppt could be determined.

Development and application of a sampling method for the determination of reactive halogen species in volcanic gas emissions

Science.gov (United States)

Rüdiger, Julian; Bobrowski, Nicole; Liotta, Marcello; Hoffmann, Thorsten

2017-04-01

Volcanoes are a potential large source of several reactive atmospheric trace gases including sulfur and halogen containing species. Besides the importance for atmospheric chemistry, the detailed knowledge of halogen chemistry in volcanic plumes can help to get insights into subsurface processes. In this study a gas diffusion denuder sampling method, using a 1,3,5-trimethoxybenzene (1,3,5-TMB) coating for the derivatization of reactive halogen species (RHS), was characterized by dilution chamber experiments. The coating proved to be suitable to collect selectively gaseous bromine species with oxidation states (OS) of +1 or 0 (such as Br2, BrCl, BrO(H) and BrONO2), while being ignorant to HBr (OS -1). The reaction of 1,3,5-TMB with reactive bromine species gives 1-bromo-2,4,6-trimethoxybenzene (1-bromo-2,4,6-TMB) - other halogens give corresponding products. Solvent elution of the derivatized analytes and subsequent analysis with gas chromatography mass spectrometry gives detection limits of 10 ng or less for Br2, Cl2, and I2. In 2015 the method was applied on volcanic gas plumes at Mt. Etna (Italy) giving reactive bromine mixing ratios from 0.8 ppbv to 7.0 ppbv. Total bromine mixing ratios of 4.7 ppbv to 27.5 ppbv were obtained by simultaneous alkaline trap sampling (by a Raschig-tube) followed by analysis with ion chromatography and inductively coupled plasma mass spectrometry. This leads to the first results of in-situ measured reactive bromine to total bromine ratios, spanning a range between 12±1 % and 36±2 %. Our finding is in an agreement with previous model studies, which imply values < 44 % for plume ages < 1 minute, which is consistent with the assumed plume age at the sampling sites.

A box model study on photochemical interactions between VOCs and reactive halogen species in the marine boundary layer

Directory of Open Access Journals (Sweden)

K. Toyota

2004-01-01

Full Text Available A new chemical scheme is developed for the multiphase photochemical box model SEAMAC (size-SEgregated Aerosol model for Marine Air Chemistry to investigate photochemical interactions between volatile organic compounds (VOCs and reactive halogen species in the marine boundary layer (MBL. Based primarily on critically evaluated kinetic and photochemical rate parameters as well as a protocol for chemical mechanism development, the new scheme has achieved a near-explicit description of oxidative degradation of up to C3-hydrocarbons (CH4, C2H6, C3H8, C2H4, C3H6, and C2H2 initiated by reactions with OH radicals, Cl- and Br-atoms, and O3. Rate constants and product yields for reactions involving halogen species are taken from the literature where available, but the majority of them need to be estimated. In particular, addition reactions of halogen atoms with alkenes will result in forming halogenated organic intermediates, whose photochemical loss rates are carefully evaluated in the present work. Model calculations with the new chemical scheme reveal that the oceanic emissions of acetaldehyde (CH3CHO and alkenes (especially C3H6 are important factors for regulating reactive halogen chemistry in the MBL by promoting the conversion of Br atoms into HBr or more stable brominated intermediates in the organic form. The latter include brominated hydroperoxides, bromoacetaldehyde, and bromoacetone, which sequester bromine from a reactive inorganic pool. The total mixing ratio of brominated organic species thus produced is likely to reach 10-20% or more of that of inorganic gaseous bromine species over wide regions over the ocean. The reaction between Br atoms and C2H2 is shown to be unimportant for determining the degree of bromine activation in the remote MBL. These results imply that reactive halogen chemistry can mediate a link between the oceanic emissions of VOCs and the behaviors of compounds that are sensitive to halogen chemistry such as dimethyl

Scientific conferences: A big hello to halogen bonding

Science.gov (United States)

Erdelyi, Mate

2014-09-01

Halogen bonding connects a wide range of subjects -- from materials science to structural biology, from computation to crystal engineering, and from synthesis to spectroscopy. The 1st International Symposium on Halogen Bonding explored the state of the art in this fast-growing field of research.

Selective C-H Halogenation with a Highly Fluorinated Manganese Porphyrin.

Science.gov (United States)

Li, Gang; Dilger, Andrew K; Cheng, Peter T; Ewing, William R; Groves, John T

2018-01-26

The selective C-H functionalization of aliphatic molecules remains a challenge in organic synthesis. While radical chain halogenation reactions provide efficient access to many halogenated molecules, the use of typical protocols for the selective halogenation of electron-deficient and strained aliphatic molecules is rare. Herein, we report selective C-H chlorination and fluorination reactions promoted by an electron-deficient manganese pentafluorophenyl porphyrin catalyst, Mn(TPFPP)Cl. This catalyst displays superior properties for the aliphatic halogenation of recalcitrant, electron-deficient, and strained substrates with unique regio- and stereoselectivity. UV/Vis analysis during the course of the reaction indicated that an oxo-Mn V species is responsible for hydrogen-atom abstraction. The observed stereoselectivity results from steric interactions between the bulky porphyrin ligand and the intermediate substrate radical in the halogen rebound step. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of Halogen Substituents on the Catalytic Oxidation of 2,4,6-Halogenated Phenols by Fe(III-Tetrakis(p-hydroxyphenyl porphyrins and Potassium Monopersulfate

Directory of Open Access Journals (Sweden)

Seiya Nagao

2011-12-01

Full Text Available The influence of halogen substituents on the catalytic oxidation of 2,4,6-trihalogenated phenols (TrXPs by iron(III-porphyrin/KHSO5 catalytic systems was investigated. Iron(III-5,10,15,20-tetrakis(p-hydroxyphenylporphyrin (FeTHP and its supported variants were employed, where the supported catalysts were synthesized by introducing FeTHP into hydroquinone-derived humic acids via formaldehyde poly-condensation. F (TrFP, Cl (TrCP, Br (TrBP and I (TrIP were examined as halogen substituents for TrXPs. Although the supported catalysts significantly enhanced the degradation and dehalogenation of TrFP and TrCP, the oxidation of TrBP and TrIP was not enhanced, compared to the FeTHP catalytic system. These results indicate that the degree of oxidation of TrXPs is strongly dependent on the types of halogen substituent. The order of dehalogenation levels for halogen substituents in TrXPs was F > Cl > Br > I, consistent with their order of electronegativity. The electronegativity of a halogen substituent affects the nucleophilicity of the carbon to which it is attached. The levels of oxidation products in the reaction mixtures were analyzed by GC/MS after extraction with n-hexane. The most abundant dimer product from TrFP via 2,6-difluoroquinone is consistent with a scenario where TrXP, with a more electronegative halogen substituent, is readily oxidized, while less electronegative halogen substituents are oxidized less readily by iron(III-porphyrin/KHSO5 catalytic systems.

40 CFR 721.5452 - Alkali metal salt of halogenated organoborate (generic).

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal salt of halogenated... Specific Chemical Substances § 721.5452 Alkali metal salt of halogenated organoborate (generic). (a... generically as alkali metal salt of halogenated organoborate (PMN P-00-0638) is subject to reporting under...

Construction of Tungsten Halogen, Pulsed LED, and Combined Tungsten Halogen-LED Solar Simulators for Solar Cell I-V Characterization and Electrical Parameters Determination

Directory of Open Access Journals (Sweden)

Anon Namin

2012-01-01

Full Text Available I-V characterization of solar cells is generally done under natural sunlight or solar simulators operating in either a continuous mode or a pulse mode. Simulators are classified on three features of irradiance, namely, spectral match with respect to air mass 1.5, spatial uniformity, and temporal stability. Commercial solar simulators use Xenon lamps and halogen lamps, whereas LED-based solar simulators are being developed. In this work, we build and test seven simulators for solar cell characterization, namely, one tungsten halogen simulator, four monochromatic (red, green, blue, and white LED simulators, one multicolor LED simulator, and one tungsten halogen-blue LED simulator. The seven simulators provide testing at nonstandard test condition. High irradiance from simulators is obtained by employing elevated supply voltage to tungsten halogen lamps and high pulsing voltages to LEDs. This new approach leads to higher irradiance not previously obtained from tungsten halogen lamps and LEDs. From I-V curves, electrical parameters of solar cell are made and corrected based on methods recommended in the IEC 60891 Standards. Corrected values obtained from non-STC measurements are in good agreement with those obtained from Class AAA solar simulator.

SYNTHESIS AND CHARACTERIZATION OF NEW HALOGENATED CURCUMINOIDS

Directory of Open Access Journals (Sweden)

Eugenio Torres

2013-12-01

Full Text Available In this work a novel procedure of synthesis of compounds analogues to curcumin with halogens atoms in its structure is described, which can increase its solubility and biological activity. Four halogenated curcuminoids were obtained with great pharmacological interest, none of them reported in literature before. Synthesis was carried out by means of the aldol condensation assisted by microwaves of halogenated aromatic aldehydes and acetylacetona, using morpholine as basic catalyst, in absence of solvent, and the reaction just needed 1 min. The products were purified by treatment of the reaction mixture with methanol under ultrasound irradiation, followed by chromatographic column. All obtained compounds were characterized by infrared spectroscopy, nuclear magnetic resonance, quantitative elementary analysis and high resolution mass spectrometry. The RMN-1H data demonstrate in all structures of synthesized curcuminoids the enol form is the most favored.

Abrasion-resistant concrete mix designs for precast bridge deck panels.

Science.gov (United States)

2010-08-01

The report documents laboratory investigations undertaken to develop high performance concrete (HPC) for precast and pre-stressed bridge deck components that would reduce the life-cycle cost of bridges by improving the studded tire wear (abrasion) re...

40 CFR 721.8900 - Substituted halogenated pyridinol, alkali salt.

Science.gov (United States)

2010-07-01

..., alkali salt. 721.8900 Section 721.8900 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.8900 Substituted halogenated pyridinol, alkali salt. (a) Chemical... as substituted halogenated pyridinols, alkali salts (PMNs P-88-1271 and P-88-1272) are subject to...

Special features of self-compensation of halogen donor action in lead telluride

International Nuclear Information System (INIS)

Kajdanov, V.I.; Nemov, S.A.; Ravich, Yu.I.; Dereza, A.Yu.

1985-01-01

Specific features of self-compensation of halogen donor action in lead telluride are investigasted. Lead telluride samples with chlorine additions (with tellurium excess) and, besides, with bromine- and iodine additions were studied in order to reveal general regularities in alloyind with all halogen donor impurities. Experimental dependences of the difference between the electron and hole concentrations (n-p) in PbTe as a function of an amount of introduced halogen impurities (Ni) are presented for samples with a maximum compensation at 295 K. General features of the n-p=f(Ni) dependence are presented for all halogens. The hypothesis on the kinetic mechanism of increasing the efficiency of self-compensation of halogen donor action in lead telluride is suggested

Spectrographic determination of traces of halogens; Dosage de traces d'halogenes par la methode spectrographique

Energy Technology Data Exchange (ETDEWEB)

Melamed, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1961-07-01

Hollow cathode source is employed for determining traces of halogens (fluorine - chlorine) in the uranium oxide U{sub 3}O{sub 8} qualitatively, detection of at least 40 ppm of fluorine, as alkali fluoride and 125 ppm of chlorine, is possible. (author) [French] Un tube a decharge a cathode creuse a ete utilise pour la determination spectrographique des halogenes (fluor - chlore) presentes a l'etat de traces dans un oxyde d'uranium U{sub 3}O{sub 8}. On a pu deceler qualitativement des teneurs de 40 ppm de fluor sous forme de fluorures alcalins. En ce qui concerne le chlore, la plus faible teneur decelee a ete de 125 ppm. (auteur)

Halogenated organic compounds in archived whale oil: A pre-industrial record

International Nuclear Information System (INIS)

Teuten, Emma L.; Reddy, Christopher M.

2007-01-01

To provide additional evidence that several halogenated organic compounds (HOCs) found in environmental samples are natural and not industrially produced, we analyzed an archived whale oil sample collected in 1921 from the last voyage of the whaling ship Charles W. Morgan. This sample, which pre-dates large-scale industrial manufacture of HOCs, contained two methoxylated polybrominated diphenyl ethers (MeO-PBDEs), five halogenated methyl bipyrroles (MBPs), one halogenated dimethyl bipyrrole (DMBP), and tentatively one dimethoxylated polybrominated biphenyl (diMeO-PBB). This result indicates, at least in part, a natural source of the latter compounds. - Nine halogenated organic compounds have been detected in archived whale oil from the early 1920s

Halogenated organic compounds in archived whale oil: A pre-industrial record

Energy Technology Data Exchange (ETDEWEB)

Teuten, Emma L. [Department of Marine Chemistry and Geochemistry, Woods Hole Oceanographic Institution, 360 Woods Hole Road, Woods Hole, MA 02543 (United States)]. E-mail: emma.teuten@plymouth.ac.uk; Reddy, Christopher M. [Department of Marine Chemistry and Geochemistry, Woods Hole Oceanographic Institution, 360 Woods Hole Road, Woods Hole, MA 02543 (United States)]. E-mail: creddy@whoi.edu

2007-02-15

To provide additional evidence that several halogenated organic compounds (HOCs) found in environmental samples are natural and not industrially produced, we analyzed an archived whale oil sample collected in 1921 from the last voyage of the whaling ship Charles W. Morgan. This sample, which pre-dates large-scale industrial manufacture of HOCs, contained two methoxylated polybrominated diphenyl ethers (MeO-PBDEs), five halogenated methyl bipyrroles (MBPs), one halogenated dimethyl bipyrrole (DMBP), and tentatively one dimethoxylated polybrominated biphenyl (diMeO-PBB). This result indicates, at least in part, a natural source of the latter compounds. - Nine halogenated organic compounds have been detected in archived whale oil from the early 1920s.

Obesity in patients with major depression is related to bipolarity and mixed features: evidence from the BRIDGE-II-Mix study.

Science.gov (United States)

Petri, Eleonora; Bacci, Olivia; Barbuti, Margherita; Pacchiarotti, Isabella; Azorin, Jean-Michel; Angst, Jules; Bowden, Charles L; Mosolov, Sergey; Vieta, Eduard; Young, Allan H; Perugi, Giulio

2017-09-01

The Bipolar Disorders: Improving Diagnosis, Guidance and Education (BRIDGE)-II-Mix study aimed to estimate the frequency of mixed states in patients with a major depressive episode (MDE) according to different definitions. The present post-hoc analysis evaluated the association between obesity and the presence of mixed features and bipolarity. A total of 2811 MDE subjects were enrolled in a multicenter cross-sectional study. In 2744 patients, the body mass index (BMI) was evaluated. Psychiatric symptoms, and sociodemographic and clinical variables were collected, comparing the characteristics of MDE patients with (MDE-OB) and without (MDE-NOB) obesity. Obesity (BMI ≥30) was registered in 493 patients (18%). In the MDE-OB group, 90 patients (20%) fulfilled the DSM-IV-TR criteria for bipolar disease (BD), 225 patients (50%) fulfilled the bipolarity specifier criteria, 59 patients (13%) fulfilled DSM-5 criteria for MDEs with mixed features, and 226 patients (50%) fulfilled Research-Based Diagnostic Criteria for an MDE. Older age, history of (hypo)manic switches during antidepressant treatment, the occurrence of three or more MDEs, atypical depressive features, antipsychotic treatment, female gender, depressive mixed state according to DSM-5 criteria, comorbid eating disorders, and anxiety disorders were significantly associated with the MDE-OB group. Among (hypo)manic symptoms during the current MDE, psychomotor agitation, distractibility, increased energy, and risky behaviors were the variables most frequently associated with MDE-OB group. In our sample, the presence of obesity in patients with an MDE seemed to be associated with higher rates of bipolar spectrum disorders. These findings suggest that obesity in patients with an MDE could be considered as a possible marker of bipolarity. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Halogens are key cofactors in building of collagen IV scaffolds outside the cell.

Science.gov (United States)

Brown, Kyle L; Hudson, Billy G; Voziyan, Paul A

2018-05-01

The purpose of this review is to highlight recent advances in understanding the molecular assembly of basement membranes, as exemplified by the glomerular basement membrane (GBM) of the kidney filtration apparatus. In particular, an essential role of halogens in the basement membrane formation has been discovered. Extracellular chloride triggers a molecular switch within non collagenous domains of collagen IV that induces protomer oligomerization and scaffold assembly outside the cell. Moreover, bromide is an essential cofactor in enzymatic cross-linking that reinforces the stability of scaffolds. Halogenation and halogen-induced oxidation of the collagen IV scaffold in disease states damage scaffold function. Halogens play an essential role in the formation of collagen IV scaffolds of basement membranes. Pathogenic damage of these scaffolds by halogenation and halogen-induced oxidation is a potential target for therapeutic interventions.

Halonium Ions as Halogen Bond Donors in the Solid State [XL2]Y Complexes.

Science.gov (United States)

Rissanen, Kari; Haukka, Matti

2015-01-01

The utilization of halogen bonding interactions is one of the most rapidly developing areas of supramolecular chemistry. While the other weak non-covalent interactions and their influence on the structure and chemistry of various molecules, complexes, and materials have been investigated extensively, the understanding, utilizations, and true nature of halogen bonding are still relatively unexplored. Thus its final impact in chemistry in general and in materials science has not yet been fully established. Because of the polarized nature of a Z-X bond (Z=electron-withdrawing atom or moiety and X=halogen atom), such a moiety can act as halogen bond donor when the halogen is polarized enough by the atom/moiety Z. The most studied and utilized halogen bond donor molecules are the perfluorohalocarbons, where Z is a perfluorinated aryl or alkyl moiety and X is either iodine or bromine. Complementing the contemporary halogen bonding research, this chapter reviews the solid state structural chemistry of the most extremely polarized halogen atoms, viz. halonium ions, X+, and discussed them as halogen bond donors in the solid state [XL2]Y complexes (X=halonium ion, Y=any anion).

Metal-Mediated Halogen Exchange in Aryl and Vinyl Halides: a Review

Science.gov (United States)

Evano, Gwilherm; Nitelet, Antoine; Thilmany, Pierre; Dewez, Damien F.

2018-04-01

Halogenated arenes and alkenes are of prime importance in many areas of science, especially in the pharmaceutical, agrochemical and chemical industries. While the simplest ones are commercially available, some of them are still hardly accessible depending on their substitution patterns and the nature of the halogen atom. Reactions enabling the selective and efficient replacement of the halogen atom of an aryl or alkenyl halide by another one, lighter or heavier, are therefore of major importance since they can be used for example to turn a less reactive aryl/alkenyl chloride into the more reactive iodinated derivatives or, in a reversed sense, to block an undesired reactivity, for late-stage modifications or for the introduction of a radionuclide. If some halogen exchange reactions are possible with activated substrates, they usually require catalysis with metal complexes. Remarkably efficient processes have been developed for metal-mediated halogen exchange in aryl and vinyl halides: they are overviewed, in a comprehensive manner, in this review article.

A simple and automated sample preparation system for subsequent halogens determination: Combustion followed by pyrohydrolysis.

Science.gov (United States)

Pereira, L S F; Pedrotti, M F; Vecchia, P Dalla; Pereira, J S F; Flores, E M M

2018-06-20

A simple and automated system based on combustion followed by a pyrohydrolysis reaction was proposed for further halogens determination. This system was applied for digestion of soils containing high (90%) and also low (10%) organic matter content for further halogens determination. The following parameters were evaluated: sample mass, use of microcrystalline cellulose and heating time. For analytes absorption, a diluted alkaline solution (6 mL of 25 mmol L -1  NH 4 OH) was used in all experiments. Up to 400 mg of soil with high organic matter content and 100 mg of soil with low organic matter content (mixed with 400 mg of cellulose) could be completely digested using the proposed system. Quantitative results for all halogens were obtained using less than 12 min of sample preparation step (about 1.8 min for sample combustion and 10 min for pyrohydrolysis). The accuracy was evaluated using a certified reference material of coal and spiked samples. No statistical difference was observed between the certified values and results obtained by the proposed method. Additionally, the recoveries obtained using spiked samples were in the range of 98-103% with relative standard deviation values lower than 5%. The limits of quantification obtained for F, Cl, Br and I for soil with high (400 mg of soil) and low (100 mg of soil) organic matter were in the range of 0.01-2 μg g -1 and 0.07-59 μg g -1 , respectively. The proposed system was considered as a simple and suitable alternative for soils digestion for further halogens determination by ion chromatography and inductively coupled plasma mass spectrometry techniques. Copyright © 2018 Elsevier B.V. All rights reserved.

Halogenated furanones inhibit quorum sensing through accelerated LuxR turnover

DEFF Research Database (Denmark)

Manefield, M.; Rasmussen, Thomas Bovbjerg; Henzter, M.

2002-01-01

fischeri overproduced in Escherichia coli. Whilst a stable interaction between the algal metabolite and the bacterial protein was not found, it was noted by Western analysis that the half-life of the protein is reduced up to 100-fold in the presence of halogenated furanones. This suggests that halogenated...... that the reduction in LuxR concentration is the mechanism by which furanones control expression of AHL-dependent phenotypes. The mode of action by which halogenated furanones reduce cellular concentrations of the LuxR protein remains to be characterized....

Thermal behavior of halogenated imidebismaleimide resins

International Nuclear Information System (INIS)

Mohammad, A.; Al-Halim, N.Z.

1995-01-01

Several new poly-halogenated malecimides, bismaleimides and therir copoly resins were synthessised thermally from their corresponding amic acids. The synthesis was accomplished by two way method (amic acid-polimide) instead of the well-known three way method (amic acid-imide-polyimide). Thermal characterization of monomers and their cured resins was achieved using differential thermal analysis (DTA), dynamic thermogravimetric analysis (TGA) and isothermal gravimetric analysis (IGA). The effect of halogen substituent, especially in the ortho postion, is clear in the imidization proces, while polymerization proceeds almost equally in all systems. Thermal properties of homo and copolymers were correlated with their chemical structures. (author). 15 refs., 4

Development of non-halogen cables for nuclear power stations

Energy Technology Data Exchange (ETDEWEB)

Yagyu, Hideki; Yamamoto, Yasuaki; Onishi, Takao (Hitachi Cable, Ltd., Tokyo (Japan))

1983-12-01

The non-halogen fire-resistant cables for nuclear power stations which never generate halogen gas, have been developed. The cables comprise the insulator of EP rubber and the sheath of polyolefine containing non-halogen inorganic fire-retardant. The results of the environmental test and fire-resistance test are described. In the environmental test, the cables were subjected to the heating, gamma-irradiation and steam exposure successively, according to IEEE specification 323,383, and subsequently the change in the appearance, tensile strength and electrical performance of the cables was measured. In the fire-resistance test, the vertical tray fire test according to the IEEE specification 383 was adopted, and other tests including the vertical fire test on insulator cores, oxygen index, the generation of corrosive gas, copper mirror corrosion test, gas toxicity test and optical smoke density test were carried out. It became clear that the cables did not generate halogen gas on burning, and brought about reduced toxicity, corrosion and smoke, and that the safety against fire is greatly improved by using the cables.

Development of non-halogen cables for nuclear power stations

International Nuclear Information System (INIS)

Yagyu, Hideki; Yamamoto, Yasuaki; Onishi, Takao

1983-01-01

The non-halogen fire-resistant cables for nuclear power stations which never generate halogen gas, have been developed. The cables comprise the insulator of EP rubber and the sheath of polyolefine containing non-halogen inorganic fire-retardant. The results of the environmental test and fire-resistance test are described. In the environmental test, the cables were subjected to the heating, gamma-irradiation and steam exposure successively, according to IEEE specification 323,383, and subsequently the change in the appearance, tensile strength and electrical performance of the cables was measured. In the fire-resistance test, the vertical tray fire test according to the IEEE specification 383 was adopted, and other tests including the vertical fire test on insulator cores, oxygen index, the generation of corrosive gas, copper mirror corrosion test, gas toxicity test and optical smoke density test were carried out. It became clear that the cables did not generate halogen gas on burning, and brought about reduced toxicity, corrosion and smoke, and that the safety against fire is greatly improved by using the cables. (Yoshitake, I.)

Process for reducing halogen impurities in oil products

Energy Technology Data Exchange (ETDEWEB)

Basler, F.

1990-08-14

Oil products, in particular waste oils, may be efficiently reprocessed according to an economic and technically simple method for removing impurities, notably halogens. In this method, the oil product is treated at temperatures up to about 150{degree}C with an effective amount of an aqueous solution of at least one compound selected from the group consisting of a strong acid, a salt of a weak base and a strong acid and precursors thereof. The oil product obtained in this step is treated at increased temperatures with at least one halogen binding agent. The water and/or solids from the product so treated are separated out. The process of the invention can be carried out in a conventional stripping apparatus. The strong acid used in the first step is preferably selected from sulfurous acid, phosphoric acid, phosphorous acid, and phosphonic acid. The salt of the weak base and strong acid is preferably ammonium sulfate, ammonium bisulfate, ammonium sulfite, diammonium hydrogen phosphate, ammonium dihydrogen phosphate, ammonium phosphite, and ammonium phosphonic acid. The second step of the method is preferably a coagulation step in which organic halogen compounds break down into hydrogen halides which are neutralized by the added halogen binding agents. The preferred halogen binding agents are ammonia and/or an organic base. The coagulation is preferably carried out in heat exchangers so that the oil is heated in 3 stages and the oil from each stage is passed through a cascade tower. In the third step, additives may be used to enhance separation of the oil. Experiments are described to illustrate the method of the invention. 1 tab.

Participation of the Halogens in Photochemical Reactions in Natural and Treated Waters

Directory of Open Access Journals (Sweden)

Yi Yang

2017-10-01

Full Text Available Halide ions are ubiquitous in natural waters and wastewaters. Halogens play an important and complex role in environmental photochemical processes and in reactions taking place during photochemical water treatment. While inert to solar wavelengths, halides can be converted into radical and non-radical reactive halogen species (RHS by sensitized photolysis and by reactions with secondary reactive oxygen species (ROS produced through sunlight-initiated reactions in water and atmospheric aerosols, such as hydroxyl radical, ozone, and nitrate radical. In photochemical advanced oxidation processes for water treatment, RHS can be generated by UV photolysis and by reactions of halides with hydroxyl radicals, sulfate radicals, ozone, and other ROS. RHS are reactive toward organic compounds, and some reactions lead to incorporation of halogen into byproducts. Recent studies indicate that halides, or the RHS derived from them, affect the concentrations of photogenerated reactive oxygen species (ROS and other reactive species; influence the photobleaching of dissolved natural organic matter (DOM; alter the rates and products of pollutant transformations; lead to covalent incorporation of halogen into small natural molecules, DOM, and pollutants; and give rise to certain halogen oxides of concern as water contaminants. The complex and colorful chemistry of halogen in waters will be summarized in detail and the implications of this chemistry for global biogeochemical cycling of halogen, contaminant fate in natural waters, and water purification technologies will be discussed.

Topological ferrimagnetic behaviours of coordination polymers containing manganese(II) chains with mixed azide and carboxylate bridges and alternating F/AF/AF'/AF'/AF interactions.

Science.gov (United States)

Wang, Yan-Qin; Liu, Hou-Ting; Qi, Yan; Gao, En-Qing

2014-08-21

Two Mn(ii) complexes with azide and a new zwitterionic tetracarboxylate ligand 1,2,4,5-tetrakis(4-carboxylatopyridinium-1-methylene)benzene (L(1)), {[Mn5(L(1))2(N3)8(OH)2]·12H2O}n () and {[Mn5(L(1))2(N3)8(H2O)2](ClO4)2·6H2O}n (), have been synthesized and characterized crystallographically and magnetically. and contain similar alternating chains constructed by azide and carboxylate bridges. The independent sets of bridges alternate in an ABCCB sequence between adjacent Mn(ii) ions: (EO-N3)2 double bridges (EO = end-on) (denoted as A), [(EO-N3)(OCO)2] triple bridges (denoted as B) and [(EO-N3)(OCO)] double bridges (denoted as C). The alternating chains are interlinked into 2D coordination networks by the tetrapyridinium spacers. Magnetic studies demonstrate that the magnetic coupling through the double EO azide bridges is ferromagnetic and that through mixed azide/carboxylate bridges is antiferromagnetic. The unprecedented F/AF/AF'/AF'/AF coupling sequence along the chain dictates an uncompensated ground spin state (S = 5/2 per Mn5 unit) and leads to one-dimensional topological ferrimagnetism, which features a minimum in the χT versus T plot.

First-principles studies on the effects of halogen adsorption on monolayer antimony.

Science.gov (United States)

Yeoh, Keat Hoe; Yoon, Tiem Leong; Ong, Duu Sheng; Lim, Thong Leng; Zuntu Abdullahi, Yusuf

2017-09-27

Using first-principles calculations, we carry out systematic studies on the electronic, magnetic and structural properties of halogenated β-phase antimonene. We consider two different levels of halogen adatom coverage i.e. Θ = 1/8 and Θ = 1/18. It is found that F, Cl and Br adatoms act as acceptors whereas the I adatom acts as a donor. For a high coverage of Θ = 1/8, halogenated β-phase antimonene exhibits metallic characteristics. With a lower coverage of Θ = 1/18, through the adsorption of F, Cl and Br the semiconducting unstrained antimonene becomes metallic. In contrast, I-adsorbed antimonene remains semiconducting but exhibits magnetic behavior. We further investigate the effects of bi-axial strain on the halogenated β-phase antimonene. It is found that bi-axial strain can only induce ferromagnetism on the halogenated antimonene at Θ = 1/18. However, the ferromagnetism is suppressed when the applied strain is high. We uncover that the emergence of strain-dependent magnetism is attributed to the presence of localized states in the bandgap resulting from collective effects of bi-axial strain and the adsorption of halogen atoms.

Constructing a mixed π-conjugated bridge to effectively enhance the nonlinear optical response in the Möbius cyclacene-based systems.

Science.gov (United States)

Chen, Liwei; Yu, Guangtao; Chen, Wei; Tu, Chunyun; Zhao, Xingang; Huang, Xuri

2014-06-14

Using density functional theory computations, employing the concept of a mixed π-conjugated bridge can effectively improve the first hyperpolarizability (β0) of Möbius cyclacene (MC)-based systems with a D-π-A framework. This mixed π-conjugated bridge is constructed by applying a -(CH=CH)x-NH2 or -(CH=CH)x-NO2 chain to modify [8]MC, which can lead to a considerable β0 value (e.g. [8]MC-(CH=CH)12-NO2 (9.87 × 10(5) au) with only a certain chain length), much larger than the sole [8]MC (261 au) and the corresponding NH2/NO2-modified polyethylene chain with the same π-conjugated length. It is revealed that the substituent sites and the chain length can play a crucial role in improving β0 values of these MC-chain systems, where the β0 value can monotonically increase with increasing -(CH=CH)x- length, and the substituent electron-withdrawing -(CH=CH)x-NO2 chain is superior to the parallel electron-donating -(CH=CH)x-NH2. These appealing findings can provide valuable insights into the design of novel NLO materials based on MC.

Halogenation dictates the architecture of amyloid peptide nanostructures.

Science.gov (United States)

Pizzi, Andrea; Pigliacelli, Claudia; Gori, Alessandro; Nonappa; Ikkala, Olli; Demitri, Nicola; Terraneo, Giancarlo; Castelletto, Valeria; Hamley, Ian W; Baldelli Bombelli, Francesca; Metrangolo, Pierangelo

2017-07-20

Amyloid peptides yield a plethora of interesting nanostructures though difficult to control. Here we report that depending on the number, position, and nature of the halogen atoms introduced into either one or both phenylalanine benzene rings of the amyloid β peptide-derived core-sequence KLVFF, four different architectures were obtained in a controlled manner. Our findings demonstrate that halogenation may develop as a general strategy to engineer amyloidal peptide self-assembly and obtain new amyloidal nanostructures.

Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Slenkamp, Karla M.; Lynch, Michael S.; Van Kuiken, Benjamin E.; Brookes, Jennifer F.; Bannan, Caitlin C.; Daifuku, Stephanie L.; Khalil, Munira, E-mail: mkhalil@chem.washington.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)

2014-02-28

Using polarization-selective two-dimensional infrared (2D IR) spectroscopy, we measure anharmonic couplings and angles between the transition dipole moments of the four cyanide stretching (ν{sub CN}) vibrations found in [(NH{sub 3}){sub 5}Ru{sup III}NCFe{sup II}(CN){sub 5}]{sup −} (FeRu) dissolved in D{sub 2}O and formamide and [(NC){sub 5}Fe{sup II}CNPt{sup IV}(NH{sub 3}){sub 4}NCFe{sup II}(CN){sub 5}]{sup 4−} (FePtFe) dissolved in D{sub 2}O. These cyanide-bridged transition metal complexes serve as model systems for studying the role of high frequency vibrational modes in ultrafast photoinduced charge transfer reactions. Here, we focus on the spectroscopy of the ν{sub CN} modes in the electronic ground state. The FTIR spectra of the ν{sub CN} modes of the bimetallic and trimetallic systems are strikingly different in terms of frequencies, amplitudes, and lineshapes. The experimental 2D IR spectra of FeRu and FePtFe and their fits reveal a set of weakly coupled anharmonic ν{sub CN} modes. The vibrational mode anharmonicities of the individual ν{sub CN} modes range from 14 to 28 cm{sup −1}. The mixed-mode anharmonicities range from 2 to 14 cm{sup −1}. In general, the bridging ν{sub CN} mode is most weakly coupled to the radial ν{sub CN} mode, which involves the terminal CN ligands. Measurement of the relative transition dipole moments of the four ν{sub CN} modes reveal that the FeRu molecule is almost linear in solution when dissolved in formamide, but it assumes a bent geometry when dissolved in D{sub 2}O. The ν{sub CN} modes are modelled as bilinearly coupled anharmonic oscillators with an average coupling constant of 6 cm{sup −1}. This study elucidates the role of the solvent in modulating the molecular geometry and the anharmonic vibrational couplings between the ν{sub CN} modes in cyanide-bridged transition metal mixed valence complexes.

Induction of bacterial antibiotic resistance by mutagenic halogenated nitrogenous disinfection byproducts

International Nuclear Information System (INIS)

Lv, Lu; Yu, Xin; Xu, Qian; Ye, Chengsong

2015-01-01

Halogenated nitrogenous disinfection byproducts (N-DBPs) raise concerns regarding their mutagenicity and carcinogenicity threatening public health. However, environmental consequence of their mutagenicity has received less attention. In this study, the effect of halogenated N-DBPs on bacterial antibiotic resistance (BAR) was investigated. After exposure to bromoacetamide (BAcAm), trichloroacetonitrile (TCAN) or tribromonitromethane (TBNM), the resistance of Pseudomonas aeruginosa PAO1 to both individual and multiple antibiotics (ciprofloxacin, gentamicin, polymyxin B, rifampin, tetracycline, ciprofloxacin + gentamicin and ciprofloxacin + tetracycline) was increased, which was predominantly ascribed to the overexpression of efflux pumps. The mechanism of this effect was demonstrated to be mutagenesis through sequencing and analyzing antibiotic resistance genes. The same induction phenomena also appeared in Escherichia coli, suggesting this effect may be universal to waterborne pathogens. Therefore, more attention should be given to halogenated N-DBPs, as they could increase not only genotoxicological risks but also epidemiological risks of drinking water. - Highlights: • The halogenated N-DBPs could induce bacterial antibiotic resistance. • Both individual and multiple resistances could be induced. • Efflux mechanism played an important role in the induced antibiotic resistance. • The halogenated N-DBPs induced bacterial antibiotic resistance via mutagenesis. • Effects of N-DBPs on antibiotic resistance may be universal to waterborne pathogens. - Halogenated N-DBPs could increase antibiotic resistance, even multidrug resistance via mutagenesis, contributing to the enrichment of antibiotic resistant bacteria in drinking water

Concentration-dependent multiple chirality transition in halogen-bond-driven 2D self-assembly process

Science.gov (United States)

Miao, Xinrui; Li, Jinxing; Zha, Bao; Miao, Kai; Dong, Meiqiu; Wu, Juntian; Deng, Wenli

2018-03-01

The concentration-dependent self-assembly of iodine substituted thienophenanthrene derivative (5,10-DITD) is investigated at the 1-octanic acid/graphite interface using scanning tunneling microscopy. Three kinds of chiral arrangement and transition of 2D molecular assembly mainly driven by halogen bonding is clearly revealed. At high concentration the molecules self-assembled into a honeycomb-like chiral network. Except for the interchain van der Waals forces, this pattern is stabilized by intermolecular continuous Cdbnd O⋯I⋯S halogen bonds in each zigzag line. At moderate concentration, a chiral kite-like nanoarchitecture are observed, in which the Cdbnd O⋯I⋯S and I⋯Odbnd C halogen bonds, along with the molecule-solvent Cdbnd O⋯I⋯H halogen bonds are the dominated forces to determine the structural formation. At low concentration, the molecules form a chiral cyclic network resulting from the solvent coadsorption mainly by molecule-molecule Cdbnd O⋯I⋯S halogen bonds and molecule-solvent Cdbnd O⋯I⋯H halogen bonds. The density of molecular packing becomes lower with the decreasing of the solution concentration. The solution-concentration dependent self-assembly of thienophenanthrene derivative with iodine and ester chain moieties reveals that the type of intermolecular halogen bond and the number of the co-adsorbing 1-octanic acids by molecule-solvent Cdbnd O⋯I⋯H halogen bonds determine the formation and transformation of chirality. This research emphasizes the role of different types of halogen (I) bonds in the controllable supramolecular structures and provides an approach for the fabrication of chirality.

Synthesis of Isotactic-block-Syndiotactic Poly(methyl Methacrylate via Stereospecific Living Anionic Polymerizations in Combination with Metal-Halogen Exchange, Halogenation, and Click Reactions

Directory of Open Access Journals (Sweden)

Naoya Usuki

2017-12-01

Full Text Available Isotactic (it- and syndiotactic (st- poly(methyl methacrylates (PMMAs form unique crystalline stereocomplexes, which are attractive from both fundamental and application viewpoints. This study is directed at the efficient synthesis of it- and st-stereoblock (it-b-st- PMMAs via stereospecific living anionic polymerizations in combination with metal-halogen exchange, halogenation, and click reactions. The azide-capped it-PMMA was prepared by living anionic polymerization of MMA, which was initiated with t-BuMgBr in toluene at –78 °C, and was followed by termination using CCl4 as the halogenating agent in the presence of a strong Lewis base and subsequent azidation with NaN3. The alkyne-capped st-PMMA was obtained by living anionic polymerization of MMA, which was initiated via an in situ metal-halogen exchange reaction between 1,1-diphenylhexyl lithium and an α-bromoester bearing a pendent silyl-protected alkyne group. Finally, copper-catalyzed alkyne-azide cycloaddition (CuAAC between these complimentary pairs of polymers resulted in a high yield of it-b-st-PMMAs, with controlled molecular weights and narrow molecular weight distributions. The stereocomplexation was evaluated in CH3CN and was affected by the block lengths and ratios.

Halogen bonding: A new retention mechanism for the solid phase extraction of perfluorinated iodoalkanes

International Nuclear Information System (INIS)

Yan Xiaoqing; Shen Qianjin; Zhao Xiaoran; Gao Haiyue; Pang Xue; Jin Weijun

2012-01-01

Highlights: ► Halogen bonding (XB) is firstly utilised in solid phase extraction. ► The perfluorinated iodine alkanes can be extracted by C-I⋯Cl − halogen bonding. ► The C-I⋯Cl − halogen bond is well characterised by spectroscopy methods. ► The analytes with strong halogen-bonding abilities can be selectively extracted. - Abstract: For the first time, halogen-bonding interaction is utilised in the solid phase extraction of perfluorinated iodoalkane (PFI). Nine PFIs, as model analytes, were tested, and analyses by UV, 19 F NMR and Raman spectroscopies demonstrate that the PFIs are extracted by a strong anion exchange (SAX) sorbent from n-hexane due to the C-I⋯Cl − halogen-bonding interactions. The results also show that the adsorptivities of SAX for the diiodoperfluoro-alkanes (diiodo-PFIs) were much stronger than those for the perfluoroalkyl iodides (monoiodo-PFIs). Specifically, the recoveries for 1,6-diiodoperfluorohexane and 1,8-diiodoperfluorooctane were higher than 80% when 100 mL of sample spiked with a 5 ng mL −1 analyte mixture was extracted. Interestingly, SAX had no adsorption for hexafluorobenzene at all, which is known to be unable to form a halogen bond with Cl − . The analytical performance of the halogen bond-based SPE-GC–MS method for the diiodo-PFIs was also examined in soil samples. The sorbent SAX enabled the selective extraction of four diiodo-PFIs successfully from soil samples. The recoveries of the diiodo-PFIs extracted from 5 g soil sample at the 100 ng g −1 spike level were in the range of 73.2–93.8% except 26.8% for 1,2-diiodoperfluoroethane. The limit of detection varied from 0.02 to 0.04 ng g −1 in soil samples. Overall, this work reveals the great application potential of halogen bonding in the field of solid phase extraction to selectively extract compounds with strong halogen-bonding abilities.

Ultraviolet radiation and blue-light emissions from spotlights incorporating tungsten halogen lamps

CERN Document Server

MacKinlay, Alistair F; Whillock, M J

1989-01-01

This report summarises measurements of the ultraviolet radiation and blue-light emissions from eleven 'desk-top' tungsten halogen (quartz) lamps and one 'floor-standing' tungsten halogen (quartz) lamp available in the UK. Values of occupational hazard weighted and erythemally weighted ultraviolet radiation irradiance and measurements and relevant calculations of blue-light hazards are presented. It is concluded that the safety design of some desk-top tungsten halogen lamps is inadequate to prevent unnecessary exposure of the skin to potentially harmful ultraviolet radiation. It is recommended that all tungsten halogen lamps should have sufficient filtration to reduce their ultraviolet emissions to an acceptably low level. As long as the comfort aversion responses of the eye are respected, direct viewing of the lamps examined should not constitute a retinal hazard.

Ultraviolet radiation and blue-light emissions from spotlights incorporating tungsten halogen lamps

International Nuclear Information System (INIS)

McKinlay, A.F.; Whillock, M.J.; Meulemans, C.C.E.

1989-07-01

This report summarises measurements of the ultraviolet radiation and blue-light emissions from eleven 'desk-top' tungsten halogen (quartz) lamps and one 'floor-standing' tungsten halogen (quartz) lamp available in the UK. Values of occupational hazard weighted and erythemally weighted ultraviolet radiation irradiance and measurements and relevant calculations of blue-light hazards are presented. It is concluded that the safety design of some desk-top tungsten halogen lamps is inadequate to prevent unnecessary exposure of the skin to potentially harmful ultraviolet radiation. It is recommended that all tungsten halogen lamps should have sufficient filtration to reduce their ultraviolet emissions to an acceptably low level. As long as the comfort aversion responses of the eye are respected, direct viewing of the lamps examined should not constitute a retinal hazard. (author)

Determination of halogens by flame emission of metal halogenides

International Nuclear Information System (INIS)

Henrion, G.; Marquardt, D.; Stoecker, B.

1979-01-01

The A-B systems InF, InCl, InBr, and InI have been excited by laminar H 2 -N 2 flames in order to dermine individual halogens or their mixtures qualitatively or quantitatively. In optimizing the fuel gas composition two different behavior patterns have been found for band intensities, which are correlated with binding energies of InX (X = halogen). The low temperature of the flame leads to complicated matrix effects which first of all result from effects on excitation and from competitive reactions. In general, cations cause a decreased intensity. Therefore, salts have to be converted into hydrohalide acids by ion exchange. Qualitative determinations of individual halogens are possible at a 500 to 50,000fold excess of the others, whereas quantitative determinations can be performed at a 100 to 5,000fold excess in 10 -4 molar solutions with errors of 2 to 10 per cent. (author)

High-temperature peaks of thermostimulated luminescence in the ammonium halogens

International Nuclear Information System (INIS)

Kim, L.M.; Musenova, Eh.K.; Mukhamedrakhimov, K.U.

2003-01-01

The ammonium halogen crystals (AHC) are the close analogs of the alkali halogen crystals by the type of chemical bonds and crystal lattice structure. The ammonium halogen after irradiation by X-rays within 80-300 K range have two peaks of thermo-stimulation luminescence. Its maximums in dependence of anions type are in the 110-120 K and 170-180 K ranges. The first range is related with activation of auto-localized holes migration, and the second one - with the NH 3 + defects decay. Experimentally is established, that the pure ammonium halogens have memory about the previous irradiation at heating up to 300 K. After repeat irradiation the recombination luminescence high-temperature peak's shoulder is appearing. The second luminescence peak's shoulder revealing does not depend on the impurity center nature. It is known, that in the AHC there is the next thermo-stimulation luminescence peak within 340-360 K. The thermal annealing of this peak leads to the memory effect disappearance. So, the observing phenomenon is related with own defect of the matrix in the cation sublattice. Experimentally is established, that at a room temperature the AHC memorizing about previous irradiation during 20 h

Retention efficiencies of halogenated and non-halogenated hydrocarbons in selected wetland ecosystem in Lake Victoria Basin

Directory of Open Access Journals (Sweden)

Shadrack Mule

2015-06-01

Full Text Available The determination of retention efficiencies of halogenated and non-halogenated hydrocarbon in selected wetland ecosystems in Lake Victoria basin was carried out. Qualitative and quantitative determination of the presence of residual hydrocarbons in Kigwal/Kimondi, Nyando and Nzoia wetland ecosystems using Gas Chromatography - Mass Spectrometer (GC-MS instrument indicated the presence of residual organochlorines, organophosphorus, carbamates and synthetic pyrethroid hydrocarbons in water, sediment and plant materials. In order to compare the retention efficiencies of the wetlands, the wetland ecosystems were divided into three different sections, namely: inlet, mid and outlet. Calculations of mass balances of residual halogenated and non-halogenated hydrocarbons at the respective sections was done taking into account the partition of the studied compounds in samples of water, sediments and papyrus reed plant materials and analyzed using validated Gas Chromatography - Mass Spectrometer (GC-MS method. From the analysis, several residual hydrocarbons namely: bendiocarb, benzene hexachloride (BHC, carbaryl, cypermethrin, decis, deltamethrin, diazinon, dieldrin, DDT, DDD, DDE, malathion, propoxur, sumithion, 5-phenylrhodanine, 1,3,5-trichlorobenzene, 1-(2-phenoxybenzylhydrazine were detected and quantified. The levels of the selected residual hydrocarbons in water samples were used to calculate the retention efficiencies of a specific hydrocarbon and the values recorded. Generally, River Nyando wetland recorded mean percentage retention efficiencies of 76 and 94% for dry and rainy seasons respectively; Kigwal/Kimondi wetland had seasonal mean percentage retention efficiencies of 63 to 78%. River Nzoia also had calculated seasonal mean percentage retention efficiencies of between 56 to 88%. Dry season had lower mean percentages retention efficiencies as compared to rainy season in the three wetlands of interest during the period of study. The study

Theoretical and experimental evidence for a new kind of spin-coupled singlet species: Isomeric mixed-valent complexes bridged by a radical anion ligand

Czech Academy of Sciences Publication Activity Database

Sarkar, B.; Patra, S.; Fiedler, Jan; Sunoj, R. B.; Janardanan, D.; Mobin, S. M.; Niemeyer, M.; Lahiri, G. K.; Kaim, W.

2005-01-01

Roč. 44, č. 35 (2005), s. 5655-5658 ISSN 0044-8249 R&D Projects: GA AV ČR IAA400400505; GA ČR GA203/03/0821; GA MŠk LC510 Institutional research plan: CEZ:AV0Z40400503 Keywords : azobispyridine * bridging ligands * mixed-valed complexes * N-ligands Subject RIV: CF - Physical ; Theoretical Chemistry

Halogens determination in vegetable NBS standard reference materials

International Nuclear Information System (INIS)

Stella, R.; Genova, N.; Di Casa, M.

1977-01-01

Levels of all four halogens in Orchard Leaves, Pine Needles and Tomato Leaves NBS reference standards were determined. For fluorine a spiking isotope dilution method was used followed by HF absorption on glass beads. Instrumental nuclear activation analysis was adopted for chlorine and bromine determination. Radiochemical separation by a distillation procedure was necessary for iodine nuclear activation analysis after irradiation. Activation parameters of Cl, Br and I are reported. Results of five determinations for each halogen in Orchard Leaves, Pine Needles and Tomato Leaves NBS Standard Materials and Standard deviations of the mean are reported. (T.I.)

A THIOLATO-BRIDGED OCTANUCLEAR COPPER(I,II MIXED- VALENCE COMPLEX WITH N,N,S-TRIDENTATE LIGAND

Directory of Open Access Journals (Sweden)

Takanori Kotera

2007-06-01

Full Text Available Thiolato-bridged complex [CuI4CuII4(peampt4Cl8]·2H2O (Hpeampt = 1-(2-pyridylethylamino methylpropane-2-thiol has been synthesized and characterized by the elemental analysis, IR and UV-vis spectroscopies and magnetic susceptibility measurement. The X-ray crystal structure analysis of this complex shows a localized mixed-valence octanuclear cage structure made up of four trigonal-bipyramidal CuIIN2SCl2, two trigonal CuIS2Cl, and two tetrahedral CuIS2Cl2 coordination sites. Temperature dependence of magnetic susceptibility (4.5— 300 K shows that a fairly strong antiferromagnetic interaction is operating between the four CuII ions.

Insights into the Halogen Oxidative Addition Reaction to Dinuclear Gold(I) Di(NHC) Complexes

KAUST Repository

Baron, Marco

2016-06-14

Gold(I) dicarbene complexes [Au2(MeIm-Y-ImMe)2](PF6)2(Y=CH2(1), (CH2)2(2), (CH2)4(4), MeIm=1-methylimidazol-2-ylidene) react with iodine to give the mixed-valence complex [Au(MeIm-CH2-ImMe)2AuI2](PF6)2(1 aI) and the gold(III) complexes [Au2I4(MeIm-Y-ImMe)2](PF6)2(2 cIand 4 cI). Reaction of complexes 1 and 2 with an excess of ICl allows the isolation of the tetrachloro gold(III) complexes [Au2Cl4(MeIm-CH2-ImMe)2](PF6)2(1 cCl) and [Au2Cl4(MeIm-(CH2)2-ImMe)2](Cl)2(2 cCl-Cl) (as main product); remarkably in the case of complex 2, the X-ray molecular structure of the crystals also shows the presence of I-Au-Cl mixed-sphere coordination. The same type of coordination has been observed in the main product of the reaction of complexes 3 or 4 with ICl. The study of the reactivity towards the oxidative addition of halogens to a large series of dinuclear bis(dicarbene) gold(I) complexes has been extended and reviewed. The complexes react with Cl2, Br2and I2to give the successive formation of the mixed-valence gold(I)/gold(III) n aXand gold(III) n cX(excluding compound 1 cI) complexes. However, complex 3 affords with Cl2and Br2the gold(II) complex 3 bX[Au2X2(MeIm-(CH2)3-ImMe)2](PF6)2(X=Cl, Br), which is the predominant species over compound 3 cXeven in the presence of free halogen. The observed different relative stabilities of the oxidised complexes of compounds 1 and 3 have also been confirmed by DFT calculations. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Halogen Bonding Involving CO and CS with Carbon as the Electron Donor

Directory of Open Access Journals (Sweden)

Janet E. Del Bene

2017-11-01

Full Text Available MP2/aug’-cc-pVTZ calculations have been carried out to investigate the halogen-bonded complexes formed when CO and CS act as electron-pair donors through C to ClF, ClNC, ClCl, ClOH, ClCN, ClCCH, and ClNH2. CO forms only complexes stabilized by traditional halogen bonds, and all ClY molecules form traditional halogen-bonded complexes with SC, except ClF which forms only an ion-pair complex. Ion-pair complexes are also found on the SC:ClNC and SC:ClCl surfaces. SC:ClY complexes stabilized by traditional halogen bonds have greater binding energies than the corresponding OC:ClY complexes. The largest binding energies are found for the ion-pair SC–Cl+:−Y complexes. The transition structures which connect the complex and the ion pair on SC:ClNC and SC:ClCl potential surfaces provide the barriers for inter-converting these structures. Charge-transfer from the lone pair on C to the σ-hole on Cl is the primary charge-transfer interaction stabilizing OC:ClY and SC:ClY complexes with traditional halogen bonds. A secondary charge-transfer occurs from the lone pairs on Cl to the in-plane and out-of-plane π antibonding orbitals of ClY. This secondary interaction assumes increased importance in the SC:ClNH2 complex, and is a factor leading to its unusual structure. C–O and C–S stretching frequencies and 13C chemical shieldings increase upon complex formation with ClY molecules. These two spectroscopic properties clearly differentiate between SC:ClY complexes and SC–Cl+:−Y ion pairs. Spin–spin coupling constants 1xJ(C–Cl for OC:ClY complexes increase with decreasing distance. As a function of the C–Cl distance, 1xJ(C–Cl and 1J(C–Cl provide a fingerprint of the evolution of the halogen bond from a traditional halogen bond in the complexes, to a chlorine-shared halogen bond in the transition structures, to a covalent bond in the ion pairs.

A Survey of Electron Impact Cross-Sections for Halogens and Halogen Compounds of Interest to Plasma Processing

Science.gov (United States)

Sharma, S. P.; Rao, M. V. V. S.; Arnold, James O. (Technical Monitor)

1998-01-01

Published electron impact cross section data on halogens Cl2, F2, and halogen containing compounds such as Cx Fy, HCl, Cx Cly Fz are reviewed and critically evaluated based on the information provided by various researchers. The present work reports data on electron impact excitation, ionization, dissociation, electron attachment, electron detachment, and photo detachment. Elastic scattering cross sections and data on bulk properties such as diffusion coefficients in various background gases are also evaluated. Since some of the cross sectional data is derived from indirect measurements such as drift velocity, care has been taken to reconcile the differences among the reported data with due attention to the measurement technique. In conclusion, the processes with no or very limited amount of data and questionable set of data are identified and recommendation for further research direction is made.

Halogen degassing during ascent and eruption of water-poor basaltic magma

Science.gov (United States)

Edmonds, M.; Gerlach, T.M.; Herd, Richard A.

2009-01-01

A study of volcanic gas composition and matrix glass volatile concentrations has allowed a model for halogen degassing to be formulated for K??lauea Volcano, Hawai'i. Volcanic gases emitted during 2004-2005 were characterised by a molar SO2/HCl of 10-64, with a mean of 33; and a molar HF/HCl of 0-5, with a mean of 1.0 (from approximately 2500 measurements). The HF/HCl ratio was more variable than the SO2/HCl ratio, and the two correlate weakly. Variations in ratio took place over rapid timescales (seconds). Matrix glasses of Pele's tears erupted in 2006 have a mean S, Cl and F content of 67, 85 and 173??ppm respectively, but are associated with a large range in S/F. A model is developed that describes the open system degassing of halogens from parental magmas, using the glass data from this study, previously published results and parameterisation of sulphur degassing from previous work. The results illustrate that halogen degassing takes place at pressures of < 1??MPa, equivalent to < ~ 35??m in the conduit. Fluid-melt partition coefficients for Cl and F are low (< 1.5); F only degasses appreciably at < 0.1??MPa above atmospheric pressure, virtually at the top of the magma column. This model reproduces the volcanic gas data and other observations of volcanic activity well and is consistent with other studies of halogen degassing from basaltic magmas. The model suggests that variation in volcanic gas halogen ratios is caused by exsolution and gas-melt separation at low pressures in the conduit. There is no evidence that either diffusive fractionation or near-vent chemical reactions involving halogens is important in the system, although these processes cannot be ruled out. The fluxes of HCl and HF from K??lauea during 2004-5 were ~ 25 and 12??t/d respectively. ?? 2008 Elsevier B.V.

Reactive Halogens in the Marine Boundary Layer (RHaMBLe: the tropical North Atlantic experiments

Directory of Open Access Journals (Sweden)

J. D. Lee

2010-02-01

Full Text Available The NERC UK SOLAS-funded Reactive Halogens in the Marine Boundary Layer (RHaMBLe programme comprised three field experiments. This manuscript presents an overview of the measurements made within the two simultaneous remote experiments conducted in the tropical North Atlantic in May and June 2007. Measurements were made from two mobile and one ground-based platforms. The heavily instrumented cruise D319 on the RRS Discovery from Lisbon, Portugal to São Vicente, Cape Verde and back to Falmouth, UK was used to characterise the spatial distribution of boundary layer components likely to play a role in reactive halogen chemistry. Measurements onboard the ARSF Dornier aircraft were used to allow the observations to be interpreted in the context of their vertical distribution and to confirm the interpretation of atmospheric structure in the vicinity of the Cape Verde islands. Long-term ground-based measurements at the Cape Verde Atmospheric Observatory (CVAO on São Vicente were supplemented by long-term measurements of reactive halogen species and characterisation of additional trace gas and aerosol species during the intensive experimental period.

This paper presents a summary of the measurements made within the RHaMBLe remote experiments and discusses them in their meteorological and chemical context as determined from these three platforms and from additional meteorological analyses. Air always arrived at the CVAO from the North East with a range of air mass origins (European, Atlantic and North American continental. Trace gases were present at stable and fairly low concentrations with the exception of a slight increase in some anthropogenic components in air of North American origin, though NO_x mixing ratios during this period remained below 20 pptv (note the non-IUPAC adoption in this manuscript of pptv and ppbv, equivalent to pmol mol⁻¹ and nmol mol⁻¹ to reflect common practice. Consistency with

Building Bridges to Integrate Care (BRIDGES): Incubating Health Service Innovation across the Continuum of Care for Patients with Multiple Chronic Conditions.

Science.gov (United States)

Bhattacharyya, Onil; Schull, Michael; Shojania, Kaveh; Stergiopoulos, Vicky; Naglie, Gary; Webster, Fiona; Brandao, Ricardo; Mohammed, Tamara; Christian, Jennifer; Hawker, Gillian; Wilson, Lynn; Levinson, Wendy

2016-01-01

Integrating care for people with complex needs is challenging. Indeed, evidence of solutions is mixed, and therefore, well-designed, shared evaluation approaches are needed to create cumulative learning. The Toronto-based Building Bridges to Integrate Care (BRIDGES) collaborative provided resources to refine and test nine new models linking primary, hospital and community care. It used mixed methods, a cross-project meta-evaluation and shared outcome measures. Given the range of skills required to develop effective interventions, a novel incubator was used to test and spread opportunities for system integration that included operational expertise and support for evaluation and process improvement.

Process for removing halogenated aliphatic and aromatic compounds from petroleum products

Science.gov (United States)

Googin, J.M.; Napier, J.M.; Travaglini, M.A.

1983-09-20

A process is described for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contacting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible compound, such as, water or a polyhydroxy compound, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of water or polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the water or polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds and the low polar or nonpolar solvent are separated by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered from recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 1 fig.

Risk assessment for halogenated solvents

International Nuclear Information System (INIS)

Travis, C.C.

1988-01-01

A recent development in the cancer risk area is the advent of biologically based pharmacokinetic and pharmacodynamic models. These models allow for the incorporation of biological and mechanistic data into the risk assessment process. These advances will not only improve the risk assessment process for halogenated solvents but will stimulate and guide basic research in the biological area

Development of halogen-free cables for nuclear power plants

International Nuclear Information System (INIS)

Yamamoto, Mitsuo; Ito, Kazumi; Yaji, Takeo; Yoshida, Shin; Sakurai, Takako; Matsushita, Shigetoshi.

1990-01-01

On the occasion where serious fire accidents were experienced in the past, the need for making flame-retardant wire and cable incombustible took place and has since been generalizing. Various sorts of flame-retardant cables have already been developed and been actually used. From the viewpoint of avoiding the interference with the evacuation and fire-fighting activity in case of fire or the secondary accidents such as corrosion of the distributing panel, etc., the demand for non-halogen flame-retardant cable has rapidly been increasing in recent years in some fields of general industries, because this specific cable would generate the least amount of toxic smoke or corrosive gas even when it should burn. Similar demand has been increasing also for the cable used for nuclear power plants. In this field, earnest desire has been made for the development of non-halogen flame-retardant cable having specific environmental resistance specially required at nuclear power plants in addition to the properties and capacities required in general industries. The authors have continued examinations on the anti-environmental properties of the materials for cable such as long heat resistance, radiation resistance, steam resistance and succeeded in completing various sorts of non-halogen flame-retardant cable for nuclear power plants. In this report, we will introduce various features of the cable we have developed this time as well as the long-term reliability of non-halogen flame-retardant materials. (author)

Optical studies of photoactive states in mixed organic-inorganic hybrid perovskites stabilized in polymers

Science.gov (United States)

Kardynal, Beata; Xi, Lifei; Salim, Teddy; Borghardt, Sven; Stoica, Toma; Lam, Yeng Ming

2015-03-01

Mixed organic-inorganic hybrid perovskites MAX-PbY2(X,Y =I, Br,Cl) have been demonstrated as very attractive materials for absorbers of solar cells and active layers of light emitting diodes and optically driven lasers. The bandgap of the perovskites can be tuned by mixing halogen atoms in different ratios. In this presentation we study mixed MAX-PbY2(X,Y =I, Br, Cl) particles synthesized directly in protective polymer matrices as light emitters. Both, time integrated and time resolved photoluminescence have been used to study the materials. So synthesized MAX-PbX2 are very stable when measured at room temperature and in air with radiative recombination of photogenerated carriers as the main decay path. In contrast, MAX-PbY2 with mixed halogen atoms display luminescence from sub-bandgap states which saturate at higher excitation levels. The density of these states depends on the used polymer matrix and increases upon illumination. We further compare the MAX-PbY2 synthesized in polymers and as films and show that these states are inherent to the material rather than its microstructure. This works has been supported by EU NWs4LIGHT grant.

FIELD SCREENING FOR HALOGENATED VOLATILE ORGANIC COMPOUNDS

Energy Technology Data Exchange (ETDEWEB)

John F. Schabron; Joseph F. Rovani, Jr.; Theresa M. Bomstad

2003-07-01

Western Research Institute (WRI) is continuing work toward the development of new screening methodology and a test kit to measure halogenated volatile organic compounds (VOCs) in the field. Heated diode and corona discharge sensors are commonly used to detect leaks of refrigerants from air conditioners, freezers, and refrigerators. They are both selective to the presence of halogens. In prior work, the devices were tested for response to carbon tetrachloride, heptane, toluene, and water vapors. In the current work, sensor response was evaluated with sixteen halogenated VOCs relative to carbon tetrachloride. The results show that the response of the various chlorinated VOCs is within an order of magnitude of the response to carbon tetrachloride for each of the sensors. Thus, for field screening a single response factor can be used. Both types of leak detectors are being further modified to provide an on-board LCD signal readout, which is related to VOC concentration. The units will be fully portable and will operate with 115-V line or battery power. Signal background, noise level, and response data on the Bacharach heated diode detector and the TIF corona discharge detector show that when the response curves are plotted against the log of concentration, the plot is linear to the upper limit for the particular unit, with some curvature at lower levels. When response is plotted directly against concentration, the response is linear at the low end and is curved at the high end. The dynamic ranges for carbon tetrachloride of the two devices from the lower detection limit (S/N=2) to signal saturation are 4-850 vapor parts per million (vppm) for the corona discharge unit and 0.01-70 vppm for the heated diode unit. Additional circuit modifications are being made to lower the detection limit and increase the dynamic response range of the corona discharge unit. The results indicate that both devices show potential utility for future analytical method development work toward

Characterizing delamination of fibre composites by mixed mode cohesive laws

DEFF Research Database (Denmark)

Sørensen, Bent F.; Jacobsen, Torben K.

2009-01-01

A novel method is used for the determination of mixed mode cohesive laws and bridging laws for the characterisation of crack bridging in composites. The approach is based on an application of the J integral. The obtained cohesive laws were found to possess high peak stress values. Mixed mode...

Halogenation of Hydraulic Fracturing Additives in the Shale Well Parameter Space

Science.gov (United States)

Sumner, A. J.; Plata, D.

2017-12-01

Horizontal Drilling and Hydraulic fracturing (HDHF) involves the deep-well injection of a `fracking fluid' composed of diverse and numerous chemical additives designed to facilitate the release and collection of natural gas from shale plays. The potential impacts of HDHF operations on water resources and ecosystems are numerous, and analyses of flowback samples revealed organic compounds from both geogenic and anthropogenic sources. Furthermore, halogenated chemicals were also detected, and these compounds are rarely disclosed, suggesting the in situ halogenation of reactive additives. To test this transformation hypothesis, we designed and operated a novel high pressure and temperature reactor system to simulate the shale well parameter space and investigate the chemical reactivity of twelve commonly disclosed and functionally diverse HDHF additives. Early results revealed an unanticipated halogenation pathway of α-β unsaturated aldehyde, Cinnamaldehyde, in the presence of oxidant and concentrated brine. Ongoing experiments over a range of parameters informed a proposed mechanism, demonstrating the role of various shale-well specific parameters in enabling the demonstrated halogenation pathway. Ultimately, these results will inform a host of potentially unintended interactions of HDHF additives during the extreme conditions down-bore of a shale well during HDHF activities.

Evaluation of remaining behavior of halogen on the fabrication of MOX pellet containing Am

International Nuclear Information System (INIS)

Ozaki, Yoko; Osaka, Masahiko; Obayashi, Hiroshi; Tanaka, Kenya

2004-11-01

It is important to limit the content of halogen elements, namely fluorine and chlorine that are sources of making cladding material corrode, in nuclear fuel from the viewpoint of quality assurance. The halogen content should be more carefully limited in the MOX fuel containing Americium (Am-MOX), which is fabricated in the Alpha-Gamma Facility (AGF) for irradiation testing to be conducted in the experimental fast reactor JOYO, because fluorine may remain in the sintered pellets owing to a formation of AmF 3 known to have a low vapor pressure and may exceeds the limit of 25 ppm. In this study, a series of experimental determination of halogen element in Am-MOX were performed by a combination method of pyrolysis and ion-chromatography for the purpose of an evaluation of behavior of remaining halogen through the sintering process. Oxygen potential, temperature and time were changed as experimental parameters and their effects on the remaining behavior of halogen were examined. It was confirmed that good pellets, which contained small amount of halogen, could be obtained by the sintering for 3 hour at 1700degC in the oxygen potential range from -520 to -390 kJ/mol. In order to analysis of fluorine chemical form in green pellet, thermal analysis was performed. AmF 3 and PuF 3 have been confirmed to remain in the green pellet. (author)

Development of Halogen-free flame-retardant cable for nuclear power plant

International Nuclear Information System (INIS)

Ishii, Nobuhisa; Morii, Akira; Fujimura, Shunichi

1992-01-01

Conventional flame-retardant cables release a large volume of corrosive and toxic gases as well as smoke while combusted. Cables covered with halogen-free flame-retardant material, containing no halogen in it, have been developed to reduce generation of such gases and smoke, and have already been used in telecommunication service, subway and shipboard applications. However, for cables for nuclear power plant, covering materials should also have radiation resistance and other properties, including long-term physical stability. We have developed halogen-free flame-retardant cables for BWR nuclear power plant with sufficient flame retardancy radiation resistance and environmental resistance including steam-exposure resistance all of which are in accordance with Japanese specifications for BWR nuclear cables and have such characteristics as low corrosiveness, low toxicity and low smoke emission. (author)

Development of halogen-free flame-retardant cable for nuclear power plant

International Nuclear Information System (INIS)

Ishii, Nobuhisa; Morii, Akira; Fujimura, Shunichi

1991-01-01

Conventional flame-retardant cables release a large amount of corrosive and toxic gases and also smoke during combustion on fire. Cables covered with halogen-free flame-retardant material, containing no halogen in it, have been developed to reduce generation of such gases and smoke, and already used in telecommunication plant, subway and shipboard applications. In the case of nuclear power plant application, cable covering materials should also have radiation resistance and other properties including long-term physical stability. We have developed halogen-free flame-retardant cables for nuclear power plant with sufficient flame retardancy, radiation resistance, and environmental resistance including steam-exposure resistance, all of which are in accordance with Japanese specifications for nuclear cables, and with characteristics as low corrosiveness, low toxicity, and low smoke evolution. (author)

Extended Fenske-Hall LCAO MO Calculations for Mixed Methylene Dihalides

Science.gov (United States)

Ziemann, Hartmut; Paulun, Manfred

1988-10-01

The electronic structure of mixed methylene dihalides CH2XY (X, Y = F, Cl, Br. I) has been studied using extended Fenske-Hall LCAO MO method. The comparison with available photoelec­tron spectra confirmes previous assignments of all bands with binding energies <100 eV. The electronic structure changes occurring upon varying the halogen substituents are discussed.

Halogen Bonding from Dispersion-Corrected Density-Functional Theory: The Role of Delocalization Error.

Science.gov (United States)

Otero-de-la-Roza, A; Johnson, Erin R; DiLabio, Gino A

2014-12-09

Halogen bonds are formed when a Lewis base interacts with a halogen atom in a different molecule, which acts as an electron acceptor. Due to its charge transfer component, halogen bonding is difficult to model using many common density-functional approximations because they spuriously overstabilize halogen-bonded dimers. It has been suggested that dispersion-corrected density functionals are inadequate to describe halogen bonding. In this work, we show that the exchange-hole dipole moment (XDM) dispersion correction coupled with functionals that minimize delocalization error (for instance, BH&HLYP, but also other half-and-half functionals) accurately model halogen-bonded interactions, with average errors similar to other noncovalent dimers with less charge-transfer effects. The performance of XDM is evaluated for three previously proposed benchmarks (XB18 and XB51 by Kozuch and Martin, and the set proposed by Bauzá et al.) spanning a range of binding energies up to ∼50 kcal/mol. The good performance of BH&HLYP-XDM is comparable to M06-2X, and extends to the "extreme" cases in the Bauzá set. This set contains anionic electron donors where charge transfer occurs even at infinite separation, as well as other charge transfer dimers belonging to the pnictogen and chalcogen bonding classes. We also show that functional delocalization error results in an overly delocalized electron density and exact-exchange hole. We propose intermolecular Bader delocalization indices as an indicator of both the donor-acceptor character of an intermolecular interaction and the delocalization error coming from the underlying functional.

Symmetric and asymmetric halogen-containing metallocarboranylporphyrins and uses thereof

Science.gov (United States)

Miura, Michiko; Wu, Haitao

2013-05-21

The present invention is directed to low toxicity boronated compounds and methods for their use in the treatment, visualization, and diagnosis of tumors. More specifically, the present invention is directed to low toxicity halogenated, carborane-containing 5,10,15,20-tetraphenylporphyrin compounds and methods for their use particularly in boron neutron capture therapy (BNCT) and photodynamic therapy (PDT) for the treatment of tumors of the brain, head and neck, and surrounding tissue. The invention is also directed to using these halogenated, carborane-containing tetraphenylporphyrin compounds in methods of tumor imaging and/or diagnosis such as MRI, SPECT, or PET.

Structure-Energy Relationships of Halogen Bonds in Proteins.

Science.gov (United States)

Scholfield, Matthew R; Ford, Melissa Coates; Carlsson, Anna-Carin C; Butta, Hawera; Mehl, Ryan A; Ho, P Shing

2017-06-06

The structures and stabilities of proteins are defined by a series of weak noncovalent electrostatic, van der Waals, and hydrogen bond (HB) interactions. In this study, we have designed and engineered halogen bonds (XBs) site-specifically to study their structure-energy relationship in a model protein, T4 lysozyme. The evidence for XBs is the displacement of the aromatic side chain toward an oxygen acceptor, at distances that are equal to or less than the sums of their respective van der Waals radii, when the hydroxyl substituent of the wild-type tyrosine is replaced by a halogen. In addition, thermal melting studies show that the iodine XB rescues the stabilization energy from an otherwise destabilizing substitution (at an equivalent noninteracting site), indicating that the interaction is also present in solution. Quantum chemical calculations show that the XB complements an HB at this site and that solvent structure must also be considered in trying to design molecular interactions such as XBs into biological systems. A bromine substitution also shows displacement of the side chain, but the distances and geometries do not indicate formation of an XB. Thus, we have dissected the contributions from various noncovalent interactions of halogens introduced into proteins, to drive the application of XBs, particularly in biomolecular design.

Rational design of organic semiconductors for texture control and self-patterning on halogenated surfaces

KAUST Repository

Ward, Jeremy W.; Li, Ruipeng; Obaid, Abdulmalik; Payne, Marcia M.; Smilgies, Detlef Matthias; Anthony, John Edward; Amassian, Aram; Jurchescu, Oana D.

2014-01-01

new materials. Here, the influence of the interactions at the interface between a halogenated organic semiconductor (OSC) thin film and a halogenated self-assembled monolayer on the formation of the crystalline texture directly affecting

Manganese(II), iron(II), and mixed-metal metal-organic frameworks based on chains with mixed carboxylate and azide bridges: magnetic coupling and slow relaxation.

Science.gov (United States)

Wang, Yan-Qin; Yue, Qi; Qi, Yan; Wang, Kun; Sun, Qian; Gao, En-Qing

2013-04-15

Mn(II) and Fe(II) compounds derived from azide and the zwitterionic 1-carboxylatomethylpyridinium-4-carboxylate ligand are isomorphous three-dimensional metal-organic frameworks (MOFs) with the sra net, in which the metal ions are connected into anionic chains by mixed (μ-1,1-azide)bis(μ-carboxylate) triple bridges and the chains are cross-linked by the cationic backbones of the zwitterionic ligands. The Mn(II) MOFs display typical one-dimensional antiferromagnetic behavior. In contrast, with one more d electron per metal center, the Fe(II) counterpart shows intrachain ferromagnetic interactions and slow relaxation of magnetization attributable to the single-chain components. The activation energies for magnetization reversal in the infinite- and finite-chain regimes are Δτ1 = 154 K and Δτ2 = 124 K, respectively. Taking advantage of the isomorphism between the Mn(II) and Fe(II) MOFs, we have prepared a series of mixed-metal Mn(II)(1-x)Fe(II)(x) MOFs with x = 0.41, 0.63, and 0.76, which intrinsically feature random isotropic/anisotropic sites and competing antiferromagnetic-ferromagnetic interactions. The materials show a gradual antiferromagnetic-to-ferromagnetic evolution in overall behaviors as the Fe(II) content increases, and the Fe-rich materials show complex relaxation processes that may arise for mixed SCM and spin-glass mechanisms. A general trend is that the activation energy and the blocking temperature increase with the Fe(II) content, emphasizing the importance of anisotropy for slow relaxation of magnetization.

Selective Nitrate Recognition by a Halogen-Bonding Four-Station [3]Rotaxane Molecular Shuttle.

Science.gov (United States)

Barendt, Timothy A; Docker, Andrew; Marques, Igor; Félix, Vítor; Beer, Paul D

2016-09-05

The synthesis of the first halogen bonding [3]rotaxane host system containing a bis-iodo triazolium-bis-naphthalene diimide four station axle component is reported. Proton NMR anion binding titration experiments revealed the halogen bonding rotaxane is selective for nitrate over the more basic acetate, hydrogen carbonate and dihydrogen phosphate oxoanions and chloride, and exhibits enhanced recognition of anions relative to a hydrogen bonding analogue. This elaborate interlocked anion receptor functions via a novel dynamic pincer mechanism where upon nitrate anion binding, both macrocycles shuttle from the naphthalene diimide stations at the periphery of the axle to the central halogen bonding iodo-triazolium station anion recognition sites to form a unique 1:1 stoichiometric nitrate anion-rotaxane sandwich complex. Molecular dynamics simulations carried out on the nitrate and chloride halogen bonding [3]rotaxane complexes corroborate the (1) H NMR anion binding results. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Halogen-bonded network of trinuclear copper(II 4-iodopyrazolate complexes formed by mutual breakdown of chloroform and nanojars

Directory of Open Access Journals (Sweden)

Stuart A. Surmann

2016-11-01

Full Text Available Crystals of bis(tetrabutylammonium di-μ3-chlorido-tris(μ2-4-iodopyrazolato-κ2N:N′tris[chloridocuprate(II] 1,4-dioxane hemisolvate, (C16H36N2[Cu3(C3H2IN23Cl5]·0.5C4H8O or (Bu4N2[CuII3(μ3-Cl2(μ-4-I-pz3Cl3]·0.5C4H8O, were obtained by evaporating a solution of (Bu4N2[{CuII(μ-OH(μ-4-I-pz}nCO3] (n = 27–31 nanojars in chloroform/1,4-dioxane. The decomposition of chloroform in the presence of oxygen and moisture provides HCl, which leads to the breakdown of nanojars to the title trinuclear copper(II pyrazolate complex, and possibly CuII ions and free 4-iodopyrazole. CuII ions, in turn, act as catalyst for the accelerated decomposition of chloroform, ultimately leading to the complete breakdown of nanojars. The crystal structure presented here provides the first structural description of a trinuclear copper(II pyrazolate complex with iodine-substituted pyrazoles. In contrast to related trinuclear complexes based on differently substituted 4-R-pyrazoles (R = H, Cl, Br, Me, the [Cu3(μ-4-I-pz3Cl3] core in the title complex is nearly planar. This difference is likely a result of the presence of the iodine substituent, which provides a unique, novel feature in copper pyrazolate chemistry. Thus, the iodine atoms form halogen bonds with the terminal chlorido ligands of the surrounding complexes [mean length of I...Cl contacts = 3.48 (1 Å], leading to an extended two-dimensional, halogen-bonded network along (-110. The cavities within this framework are filled by centrosymmetric 1,4-dioxane solvent molecules, which create further bridges via C—H...Cl hydrogen bonds with terminal chlorido ligands of the trinuclear complex not involved in halogen bonding.

Monoclinic mixed crystals of halogenomethanes CBr4-nCln (n = 0, ..., 4)

International Nuclear Information System (INIS)

Negrier, Philippe; Tamarit, Josep Ll.; Barrio, Maria; Pardo, Luis C.; Mondieig, Denise

2007-01-01

On the basis of the isostructural relationship between the low-temperature monoclinic (C2/c, Z = 32) phases of the halogenomethane CBr 4-n Cl n (n = 0, ..., 4), a set of mixed crystals has been analysed by means of high-resolution X-ray powder diffraction. It is shown that the monoclinic structure of pure and mixed crystals does not depend of the particularities of the dipolar (or dipole induced) interactions of the pure compound, neither on the composition of the mixed crystal, but on the relative content of the halogen atoms which controls the size of the molecule or the average molecule for the case of mixed crystals

Singlet oxygen production by combining erythrosine and halogen light for photodynamic inactivation of Streptococcus mutans.

Science.gov (United States)

Fracalossi, Camila; Nagata, Juliana Yuri; Pellosi, Diogo Silva; Terada, Raquel Sano Suga; Hioka, Noboru; Baesso, Mauro Luciano; Sato, Francielle; Rosalen, Pedro Luiz; Caetano, Wilker; Fujimaki, Mitsue

2016-09-01

Photodynamic inactivation of microorganisms is based on a photosensitizing substance which, in the presence of light and molecular oxygen, produces singlet oxygen, a toxic agent to microorganisms and tumor cells. This study aimed to evaluate singlet oxygen quantum yield of erythrosine solutions illuminated with a halogen light source in comparison to a LED array (control), and the photodynamic effect of erythrosine dye in association with the halogen light source on Streptococcus mutans. Singlet oxygen quantum yield of erythrosine solutions was quantified using uric acid as a chemical-probe in an aqueous solution. The in vitro effect of the photodynamic antimicrobial activity of erythrosine in association with the halogen photopolimerizing light on Streptococcus mutans (UA 159) was assessed during one minute. Bacterial cultures treated with erythrosine alone served as negative control. Singlet oxygen with 24% and 2.8% degradation of uric acid in one minute and a quantum yield of 0.59 and 0.63 was obtained for the erythrosine samples illuminated with the halogen light and the LED array, respectively. The bacterial cultures with erythrosine illuminated with the halogen light presented a decreased number of CFU mL(-1) in comparison with the negative control, with minimal inhibitory concentrations between 0.312 and 0.156mgmL(-1). The photodynamic response of erythrosine induced by the halogen light was capable of killing S. mutans. Clinical trials should be conducted to better ascertain the use of erythrosine in association with halogen light source for the treatment of dental caries. Copyright © 2016 Elsevier B.V. All rights reserved.

On the ultrafast charge migration and subsequent charge directed reactivity in Cl⋯N halogen-bonded clusters following vertical ionization

International Nuclear Information System (INIS)

Chandra, Sankhabrata; Bhattacharya, Atanu; Periyasamy, Ganga

2015-01-01

In this article, we have presented ultrafast charge transfer dynamics through halogen bonds following vertical ionization of representative halogen bonded clusters. Subsequent hole directed reactivity of the radical cations of halogen bonded clusters is also discussed. Furthermore, we have examined effect of the halogen bond strength on the electron-electron correlation- and relaxation-driven charge migration in halogen bonded complexes. For this study, we have selected A-Cl (A represents F, OH, CN, NH 2 , CF 3 , and COOH substituents) molecules paired with NH 3 (referred as ACl:NH 3 complex): these complexes exhibit halogen bonds. To the best of our knowledge, this is the first report on purely electron correlation- and relaxation-driven ultrafast (attosecond) charge migration dynamics through halogen bonds. Both density functional theory and complete active space self-consistent field theory with 6-31 + G(d, p) basis set are employed for this work. Upon vertical ionization of NCCl⋯NH 3 complex, the hole is predicted to migrate from the NH 3 -end to the ClCN-end of the NCCl⋯NH 3 complex in approximately 0.5 fs on the D 0 cationic surface. This hole migration leads to structural rearrangement of the halogen bonded complex, yielding hydrogen bonding interaction stronger than the halogen bonding interaction on the same cationic surface. Other halogen bonded complexes, such as H 2 NCl:NH 3 , F 3 CCl:NH 3 , and HOOCCl:NH 3 , exhibit similar charge migration following vertical ionization. On the contrary, FCl:NH 3 and HOCl:NH 3 complexes do not exhibit any charge migration following vertical ionization to the D 0 cation state, pointing to interesting halogen bond strength-dependent charge migration

Multiple Bistability in Quinonoid-Bridged Diiron(II) Complexes: Influence of Bridge Symmetry on Bistable Properties.

Science.gov (United States)

van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D; Marx, Raphael; Neugebauer, Petr; Frank, Uta; van Slageren, Joris; Sarkar, Biprajit

2016-11-21

Quinonoid bridges are well-suited for generating dinuclear assemblies that might display various bistable properties. In this contribution we present two diiron(II) complexes where the iron(II) centers are either bridged by the doubly deprotonated form of a symmetrically substituted quinonoid bridge, 2,5-bis[4-(isopropyl)anilino]-1,4-benzoquinone (H 2 L2') with a [O,N,O,N] donor set, or with the doubly deprotonated form of an unsymmetrically substituted quinonoid bridge, 2-[4-(isopropyl)anilino]-5-hydroxy-1,4-benzoquinone (H 2 L5') with a [O,O,O,N] donor set. Both complexes display temperature-induced spin crossover (SCO). The nature of the SCO is strongly dependent on the bridging ligand, with only the complex with the [O,O,O,N] donor set displaying a prominent hysteresis loop of about 55 K. Importantly, only the latter complex also shows a pronounced light-induced spin state change. Furthermore, both complexes can be oxidized to the mixed-valent iron(II)-iron(III) form, and the nature of the bridge determines the Robin and Day classification of these forms. Both complexes have been probed by a battery of electrochemical, spectroscopic, and magnetic methods, and this combined approach is used to shed light on the electronic structures of the complexes and on bistability. The results presented here thus show the potential of using the relatively new class of unsymmetrically substituted bridging quinonoid ligands for generating intriguing bistable properties and for performing site-specific magnetic switching.

First principles study of halogens adsorption on intermetallic surfaces

International Nuclear Information System (INIS)

Zhu, Quanxi; Wang, Shao-qing

2016-01-01

Graphical abstract: - Highlights: • The linear relation between adsorbates induced work function change and dipole moment change also exists for intermetallic surfaces. • It is just a common linear relationship rather than a directly proportion. • A new weight parameter β is proposed to describe different factors effect on work function shift. - Abstract: Halides are often present at electrochemical environment, they can directly influence the electrode potential or zero charge potential through the induced work-function change. In this work, we focused in particular on the halogen-induced work function change as a function of the coverage of fluorine, chlorine, bromine and iodine on Al_2Au and Al_2Pt (110) surfaces. Results show that the real relation between work function change and dipole moment change for halogens adsorption on intermetallic surfaces is just a common linear relationship rather than a directly proportion. Besides, the different slopes between fitted lines and the theoretical slope employed in pure metal surfaces demonstrating that the halogens adsorption on intermetallic surfaces are more complicated. We also present a weight parameter β to describe different factors effect on work function shift and finally qualify which factor dominates the shift direction.

Isostructurality and non-isostructurality in the series of halogenated organic crystal substances. The structure of Hal-aggregates

International Nuclear Information System (INIS)

Grineva, O.V.; Zorkij, P.M.

2001-01-01

Local characteristics and the type of intermolecular Hal-aggregates (ensembles of contacting halogen atoms of adjacent molecules) present in chemically similar halogenated crystal substances, differing only in the nature of Hal atoms, are compared. 23 series of halogenated hydrocarbons, including 57 crystal structures were considered. A clearly pronounced specificity of Hal-aggregates for compounds with a low and intermediate content of halogen was revealed. It was found that, as a rule, coordination number of Hal atom by Hal adjacent atoms increases in the series F-Cl-Br-I [ru

Halogens in pore water of peat bogs – the role of peat decomposition and dissolved organic matter

Directory of Open Access Journals (Sweden)

H. Biester

2006-01-01

Full Text Available Halogens are strongly enriched in peat and peatlands and such they are one of their largest active terrestrial reservoir. The enrichment of halogens in peat is mainly attributed to the formation of organohalogens and climatically controlled humification processes. However, little is known about release of halogens from the peat substrate and the distribution of halogens in the peat pore water. In this study we have investigated the distribution of chlorine, bromine and iodine in pore water of three pristine peat bogs located in the Magellanic Moorlands, southern Chile. Peat pore waters were collected using a sipping technique, which allows in situ sampling down to a depth greater than 6m. Halogens and halogen species in pore water were determined by ion-chromatography (IC (chlorine and IC-ICP-MS (bromine and iodine. Results show that halogen concentrations in pore water are 15–30 times higher than in rainwater. Mean concentrations of chlorine, bromine and iodine in pore water were 7–15 mg l−1, 56–123 μg l−1, and 10–20 μg l−1, which correspond to mean proportions of 10–15%, 1–2.3% and 0.5–2.2% of total concentrations in peat, respectively. Organobromine and organoiodine were the predominant species in pore waters, whereas chlorine in pore water was mostly chloride. Advection and diffusion of halogens were found to be generally low and halogen concentrations appear to reflect release from the peat substrate. Release of bromine and iodine from peat depend on the degree of peat degradation, whereas this relationship is weak for chlorine. Relatively higher release of bromine and iodine was observed in less degraded peat sections, where the release of dissolved organic carbon (DOC was also the most intensive. It has been concluded that the release of halogenated dissolved organic matter (DOM is the predominant mechanism of iodine and bromine release from peat.

Halogen poisoning effect of Pt-TiO{sub 2} for formaldehyde catalytic oxidation performance at room temperature

Energy Technology Data Exchange (ETDEWEB)

Zhu, Xiaofeng; Cheng, Bei [State Key Laboratory of Advanced Technology for Material Synthesis and Processing, Wuhan University of Technology, Luoshi Road 122#, Wuhan 430070 (China); Yu, Jiaguo, E-mail: jiaguoyu@yahoo.com [State Key Laboratory of Advanced Technology for Material Synthesis and Processing, Wuhan University of Technology, Luoshi Road 122#, Wuhan 430070 (China); Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Ho, Wingkei, E-mail: keithho@ied.edu.hk [Department of Science and Environmental Studies and Centre for Education in Environmental Sustainability, The Hong Kong Institute of Education, Tai Po, N.T. Hong Kong (China)

2016-02-28

Graphical abstract: - Highlights: • The Pt-TiO{sub 2} catalyst is deactivated by adsorption of halogen ions. • The halogen poison is mainly attributed to the active site blocking of the Pt surface. • Halogen ions and Pt form Pt−X coordination bonds. • Large halogen diameter exhibits severe poisoning effect. - Abstract: Catalytic decomposition of formaldehyde (HCHO) at room temperature is an important method for HCHO removal. Pt-based catalysts are the optimal catalyst for HCHO decomposition at room temperature. However, the stability of this catalyst remains unexplored. In this study, Pt-TiO{sub 2} (Pt-P25) catalysts with and without adsorbed halogen ions (including F{sup −}, Cl{sup −}, Br{sup −}, and I{sup −}) were prepared through impregnation and ion modification. Pt-TiO{sub 2} samples with adsorbed halogen ions exhibited reduced catalytic activity for formaldehyde decomposition at room temperature compared with the Pt-TiO{sub 2} sample; the catalytic activity followed the order of F-Pt-P25, Cl-Pt-P25, Br-Pt-P25, and I-Pt-P25. Characterization results (including XRD, TEM, HRTEM, BET, XPS, and metal dispersion) showed that the adsorbed halogen ions can poison Pt nanoparticles (NPs), thereby reducing the HCHO oxidation activity of Pt-TiO{sub 2}. The poison mechanism is due to the strong adsorption of halogen ions on the surface of Pt NPs. The adsorbed ions form coordination bonds with surface Pt atoms by transferring surplus electrons into the unoccupied 5d orbit of the Pt atom, thereby inhibiting oxygen adsorption and activation of the Pt NP surface. Moreover, deactivation rate increases with increasing diameter of halogen ions. This study provides new insights into the fabrication of high-performance Pt-based catalysts for indoor air purification.

On the ultrafast charge migration and subsequent charge directed reactivity in Cl⋯N halogen-bonded clusters following vertical ionization

Energy Technology Data Exchange (ETDEWEB)

Chandra, Sankhabrata; Bhattacharya, Atanu, E-mail: atanub@ipc.iisc.ernet.in [Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore (India); Periyasamy, Ganga [Department of Chemistry, Central College Campus, Bangalore University, Bangalore (India)

2015-06-28

In this article, we have presented ultrafast charge transfer dynamics through halogen bonds following vertical ionization of representative halogen bonded clusters. Subsequent hole directed reactivity of the radical cations of halogen bonded clusters is also discussed. Furthermore, we have examined effect of the halogen bond strength on the electron-electron correlation- and relaxation-driven charge migration in halogen bonded complexes. For this study, we have selected A-Cl (A represents F, OH, CN, NH{sub 2}, CF{sub 3}, and COOH substituents) molecules paired with NH{sub 3} (referred as ACl:NH{sub 3} complex): these complexes exhibit halogen bonds. To the best of our knowledge, this is the first report on purely electron correlation- and relaxation-driven ultrafast (attosecond) charge migration dynamics through halogen bonds. Both density functional theory and complete active space self-consistent field theory with 6-31 + G(d, p) basis set are employed for this work. Upon vertical ionization of NCCl⋯NH{sub 3} complex, the hole is predicted to migrate from the NH{sub 3}-end to the ClCN-end of the NCCl⋯NH{sub 3} complex in approximately 0.5 fs on the D{sub 0} cationic surface. This hole migration leads to structural rearrangement of the halogen bonded complex, yielding hydrogen bonding interaction stronger than the halogen bonding interaction on the same cationic surface. Other halogen bonded complexes, such as H{sub 2}NCl:NH{sub 3}, F{sub 3}CCl:NH{sub 3}, and HOOCCl:NH{sub 3}, exhibit similar charge migration following vertical ionization. On the contrary, FCl:NH{sub 3} and HOCl:NH{sub 3} complexes do not exhibit any charge migration following vertical ionization to the D{sub 0} cation state, pointing to interesting halogen bond strength-dependent charge migration.

Reconciliation of Halogen-Induced Ozone Loss with the Total-Column Ozone Record

Science.gov (United States)

Shepherd, T. G.; Plummer, D. A.; Scinocca, J. F.; Hegglin, M. I.; Fioletov, V. E.; Reader, M. C.; Remsberg, E.; von Clarmann, T.; Wang, H. J.

2014-01-01

The observed depletion of the ozone layer from the 1980s onwards is attributed to halogen source gases emitted by human activities. However, the precision of this attribution is complicated by year-to-year variations in meteorology, that is, dynamical variability, and by changes in tropospheric ozone concentrations. As such, key aspects of the total-column ozone record, which combines changes in both tropospheric and stratospheric ozone, remain unexplained, such as the apparent absence of a decline in total-column ozone levels before 1980, and of any long-term decline in total-column ozone levels in the tropics. Here we use a chemistry-climate model to estimate changes in halogen-induced ozone loss between 1960 and 2010; the model is constrained by observed meteorology to remove the eects of dynamical variability, and driven by emissions of tropospheric ozone precursors to separate out changes in tropospheric ozone. We show that halogen-induced ozone loss closely followed stratospheric halogen loading over the studied period. Pronounced enhancements in ozone loss were apparent in both hemispheres following the volcanic eruptions of El Chichon and, in particular, Mount Pinatubo, which significantly enhanced stratospheric aerosol loads. We further show that approximately 40% of the long-term non-volcanic ozone loss occurred before 1980, and that long-term ozone loss also occurred in the tropical stratosphere. Finally, we show that halogeninduced ozone loss has declined by over 10% since stratospheric halogen loading peaked in the late 1990s, indicating that the recovery of the ozone layer is well underway.

Magnetic resonance imaging of flow and mass transfer in electrohydrodynamic liquid bridges

NARCIS (Netherlands)

Wexler, Adam D.; Drusová, Sandra; Fuchs, Elmar C.; Woisetschläger, Jakob; Reiter, Gert; Fuchsjäger, Michael; Reiter, Ursula

2017-01-01

Abstract: Here, we report on the feasibility and use of magnetic resonance imaging-based methods to the study of electrohydrodynamic (EHD) liquid bridges. High-speed tomographic recordings through the longitudinal axis of water bridges were used to characterize the mass transfer dynamics, mixing,

Iron Mineral Catalyzed C-H Activation As a Potential Pathway for Halogenation Processes

Science.gov (United States)

Tubbesing, C.; Schoeler, H. F.; Benzing, K.; Krause, T.; Lippe, S.; Rudloff, M.

2014-12-01

Due to increasing drinking water demand of mankind and an expected climate change the impact of salt lakes and salt deserts will increase within the next decades. Furthermore, a rising sea level influences coastal areas like salt marshes and abets processes which will lead to elevated organohalogen formation. An additional increase of the global warming potential, of particle formation and stratospheric ozone depletion is expected. Understanding these multifaceted processes is essential for mankind to be prepared for these alterations of the atmosphere. For example, Keppler et al. (2000) described the production of volatile halogenated organic compounds via oxidation of organic matter driven by ferric iron. However, the formation of long-chained alkyl halides in salt lakes is yet undisclosed. Despite the relative "inertness" of alkanes a direct halogenation of these compounds might be envisaged. In 2005 Vaillancourt et al. discovered a nonheme iron enzyme which is able to halogenate organic compounds via generating the high valent ferryl cation as reaction center. Based on various publications about C-H activation (Bergman, 2007) we postulate a halogenation process in which an iron containing minerals catalyse the C-H bond cleavage of organic compounds in soils. The generated organic radicals are highly reactive towards halides connected to the iron complex. We suggest that next to diagenetically altered iron containing enzymes, minerals such as oxides, hydroxides and sulfides are involved in abiotic halogenation processes. We applied the amino acid methionine as organic model compound and soluble iron species as reactants. All samples were incubated in aqueous phases containing various NaCl concentrations. As a result various halogenated ethanes and ethenes were identified as reaction products. References Bergman, R. G. (2007) Nature, 446(7134) 391-393 Keppler, F., et al. (2000) Nature, 403(6767) 298-301 Vaillancourt, F. H., et al. (2005) Nature, 436(7054) 1191-1194

Development of halogen-free, heat-resistant, low-voltage wire for automotive use

International Nuclear Information System (INIS)

Ueno, Keiji; Suzuki, Sizuo; Takahagi, Masatoshi; Uda, Ikujiro

1995-01-01

The environmental load of our motorized society is of major concern, and includes considerations of recycling of automotive parts as the industrial wastes. The total average length of AV, AVX (electrical wire insulated with PVC, cross-linked PVC), and AEX (electrical wire insulated with cross-linked polyolefin) wires required for the harnesses in modern automobiles is approximately 2,000-3,000 meters per unit. However these electrical wires contain a large amount of halogen, which can generate the smoke and corrosive gas. In response to this problem the authors have developed the electron beam irradiated halogen-free, heat-resistant, low-voltage electrical wire which does not contain any halogen based polymer or flame retardants. The developed wire features the reliability equivalent to AEX wire with minimum environmental load. (Author)

[Co5(mu3-OH)2(btec)2(bpp)]n: a three-dimensional homometallic molecular metamagnet built from the mixed hydroxide/carboxylate-bridged ferrimagnetic-like chains.

Science.gov (United States)

Jia, Hong-Peng; Li, Wei; Ju, Zhan-Feng; Zhang, Jie

2007-09-07

A three-dimensional homometallic complex [Co(5)(mu(3)-OH)(2)(btec)(2)(bpp)](n) is built from the mixed hydroxide/carboxylate bridged cobalt(ii) chains linked by the 1,2,4,5-benzenetetracarboxylate (btec(4-)) anion and 1,3-bis(4-pyridyl)-propane molecule (bpp). Within each chain, two mu(3)-OH-bridged metal triangles connect to each other by sharing a common vertex to give rise to a bow-tie type Co(5)(mu(3)-OH)(2) subunit, which is joined to adjacent subunits by four mu(1,1)-carboxylate bridges to form a step-like metal-oxygen backbone. The magnetic studies revealed that the coexistence of ferromagnetic and antiferrimagnetic interactions resulted in a ferrimagnetic-like behavior of the homometallic chains. Below a critical temperature (T(N) = 12.5 K), bulk antiferromagnetic ordering was observed at low field due to the weak interchain antiferromagnetic interactions. A metamagnetic transition occurred at a magnetic field of ca. 5 kOe at 2 K.

Recoil halogen reactions in liquid and frozen aqueous solutions of biomolecules

International Nuclear Information System (INIS)

Arsenault, L.J.; Blotcky, A.J.; Firouzbakht, M.L.; Rack, E.P.; Nebraska Univ., Omaha

1982-01-01

Reactions of recoil 38 Cl, 80 Br and 128 I have been studied in crystalline systems of 5-halouracil, 5-halo-2'-deoxyuridine and 5-halouridine as well as liquid and frozen aqueous solutions of these halogenated biomolecules. In all systems expect crystalline 5-iuodouracil the major product was the radio-labelled halide ion. There was no evidence for other halogen inorganic species. The major labelled organic product was the parent molecule. A recoil atom tracer technique was developed to acquire site information of the biomolecule solutes in the liquid and frozen aqueous systems. For all liquid and frozen aqueous systems, the halogenated biomolecules tended to aggregate. For liquid systems, the tendency for aggregation diminished as the solute concentration approached zero, where the probable state of the solute approached a monomolecular dispersion. Unlike the liquid state, the frozen ice lattice demonstated a ''caging effect'' for the solute aggregates which resulted in constant product yields over the whole concentration range. (orig.)

Development of no halogen incombustible cables for atomic energy

International Nuclear Information System (INIS)

Ishii, Nobumasa; Kimura, Hitoshi; Fujimura, Shun-ichi

1990-01-01

In upgrading light water reactor technology, it is important to improve the reliability of machinery and equipment, to make regular inspection efficient, to extend the period of continuous operation, to optimize operation cycle and to improve the maintainability of plant facilities. For the cables for nuclear power stations, high incombustibility is required, and at present halogen system incombustible materials are used. Recently the development of no halogen incombustible cables has been advanced, with which the generation of corrosive gas and smoke at the time of fires is slight. In this study, the application of such no halogen incombustible cables to nuclear power stations and the improvement of reliability of the cables were investigated. The cables to be developed are those for electric power, control and instrumentation in BWR plants and insulated electric wires. The required characteristics are incombustibility, no generation of smoke and corrosive gas at the time of fires, radiation resistance and steam resistance in LOCA. The selection of base polymers, metal hydrates and radiation protectors, the evaluation of radiation resistance and steam resistance, the examination of the corrosive and poisonous properties of generated gas and smoke generation and so on are reported. The development was successful. (K.I.)

Chlorine dioxide as phenol and H2S scavenger - formation of halogenated phenols and subsequent environmental risk

Energy Technology Data Exchange (ETDEWEB)

Melbye, Alf G.; Faksness, Liv-Guri; Knudsen, Boerre Leif

2006-03-15

Formation of halogenated phenols as side products from treatment of produced water with aqueous chlorine dioxide has been investigated. The literature describes formation of halogenated hydrocarbons in effluent treatment using chlorine, hypochlorite and chlorine dioxide. A new chlorine dioxide product, originally intended as a H2S scavenger in the oil and gas industry, has been tested both as a phenol scavenger and H2S-scavenger for produced water applications. The concern about the possible formation of halogenated by-products initiated laboratory testing of chlorine dioxide as phenol and H2S scavenger for produced water applications. The tests also included synthetic matrixes containing phenols, and the tests show that halogenated phenols, mainly brominated species, are found in produced water after treatment with chlorine dioxide. Due to potential environmental risk from halogenated organic contaminants, the use of chlorine dioxide as phenol and H2S scavenger is not recommended. (Author)

Determination of N-containing halogenated natural products using gas chromatography in combination of a nitrogen-phosphorus-detector

Energy Technology Data Exchange (ETDEWEB)

Melcher, J.; Vetter, W. [Hohenheim Univ., Stuttgart (Germany). Inst. fuer Lebensmittelchemie

2004-09-15

In the last few years several nonpolar halogenated natural products (HNPs) such as Q1, MHC-1, BC-2, BC-3, BC-10 were detected at elevated concentrations in marine biota samples. In addition, there are still some abundant peaks of halogenated compounds frequently found in the gas chromatograms of many marine samples which have not yet been identified. Some of the known halogenated natural products (Q1, HDBPs including BC-10, bromoindoles) contain N-heterocyclic backbones. Since nitrogen is scarcely found in anthropogenic halogenated compounds, the detection of N-containing halogenated substances may be used as a first indicator for the presence of HNPs in a sample extract. In the presented method we studied the suitability of a nitrogen phosphorous detector (NPD) for quantification of Q1 and the detection of Ncontaining compounds in marine biota. Analyses were accompanied with GC/ECD analyses.

A 19F NMR study of C-I....pi- halogen bonding

DEFF Research Database (Denmark)

Hauchecorne, Dieter; vand er Veken, Benjamin J.; Herrebout, Wouter A.

2011-01-01

The formation of halogen bonded complexes between toluene-d8 and the perfluoroiodopropanes 1-C3F7I and 2-C3F7I has been investigated using 19F NMR spectroscopy. For both Lewis acids, evidence was found for the formation of a C–I⋯π halogen bonded complex. The complex formed is a 1:1 type. Using sp...... results are supported by ab initio calculations at the B3LYP-PCM/6-311++G(d,p) + LanL2DZ∗ level....

Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds

Czech Academy of Sciences Publication Activity Database

Riley, Kevin Eugene; Murray, J. S.; Fanfrlík, Jindřich; Řezáč, Jan; Solá, R. J.; Concha, M. C.; Ramos, F. M.; Politzer, P.

2013-01-01

Roč. 19, č. 11 (2013), s. 4651-4659 ISSN 1610-2940 R&D Projects: GA ČR GBP208/12/G016 Grant - others:Operational Program Research and Development for Innovations(XE) CZ.1.05/2.1.00/03.0058 Institutional support: RVO:61388963 Keywords : dispersion * electrostatics * halogen bonding * noncovalent interactions Subject RIV: CE - Biochemistry Impact factor: 1.867, year: 2013

Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms.

Science.gov (United States)

Carter, Korey P; Kalaj, Mark; Surbella, Robert G; Ducati, Lucas C; Autschbach, Jochen; Cahill, Christopher L

2017-11-02

Engaging the nominally terminal oxo atoms of the linear uranyl (UO 2 2+ ) cation in non-covalent interactions represents both a significant challenge and opportunity within the field of actinide hybrid materials. An approach has been developed for promoting oxo atom participation in a range of non-covalent interactions, through judicious choice of electron donating equatorial ligands and appropriately polarizable halogen-donor atoms. As such, a family of uranyl hybrid materials was generated based on a combination of 2,5-dihalobenzoic acid and aromatic, chelating N-donor ligands. Delineation of criteria for oxo participation in halogen bonding interactions has been achieved by preparing materials containing 2,5-dichloro- (25diClBA) and 2,5-dibromobenzoic acid (25diBrBA) coupled with 2,2'-bipyridine (bipy) (1 and 2), 1,10-phenanthroline (phen) (3-5), 2,2':6',2''-terpyridine (terpy) (6-8), or 4'-chloro-2,2':6',2''-terpyridine (Cl-terpy) (9-10), which have been characterized through single crystal X-ray diffraction, Raman, Infrared (IR), and luminescence spectroscopy, as well as through density functional calculations of electrostatic potentials. Looking comprehensively, these results are compared with recently published analogues featuring 2,5-diiodobenzoic acid which indicate that although inclusion of a capping ligand in the uranyl first coordination sphere is important, it is the polarizability of the selected halogen atom that ultimately drives halogen bonding interactions with the uranyl oxo atoms. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

MAFIA simulation and cold model test of three types of bridge coupler

International Nuclear Information System (INIS)

Chang, C.R.; Yao, C.G.; Swenson, D.A.; Funk, L.W.; Raparia, D.

1992-01-01

In the new design of the SSC CCL, the total number of bridge couplers has increased from 50 to 63, and their maximum length increased from 37.2 to 46.1 cm. Choosing a bridge coupler that gives maximum coupling, minimum power flow, phase shift and fabrication cost becomes important. The conventional TM010 single cavity bridge coupler used in LAMPF and Fermilab will have severe mode mixing problem when the bridge length is over 30 cm, and the coupling is very weak. Three types of bridge coupler have been proposed: (1) TM012 single cavity bridge coupler; (2) electrically coupled multi-cavity bridge coupler and (3) magnetically coupled multi-cavity bridge coupler. This paper presents both MAFIA simulations and cold model tests results. Each bridge coupler has its unique characteristics with advantages and disadvantages, but all three are superior to the conventional coupler. (Author) 6 figs., tab., 2 refs

Tuning the viscosity of halogen free bulk heterojunction inks for inkjet printed organic solar cells

NARCIS (Netherlands)

Lamont, C.A.; Eggenhuisen, T.M.; Coenen, M.J.J.; Slaats, T.W.L.; Andriessen, R.; Groen, P.

2015-01-01

For the solution processing of organic photovoltaics on an industrial scale, the exclusion of halogenated solvents is a necessity. However, the limited solubility of most semiconducting polymer/fullerene blends in non-halogenated solvents results in ink formulations with low viscosities which poses

Impact of enhanced ozone deposition and halogen chemistry on tropospheric ozone over the Northern Hemisphere

Science.gov (United States)

Fate of ozone in marine environments has been receiving increased attention due to the tightening of ambient air quality standards. The role of deposition and halogen chemistry is examined through incorporation of an enhanced ozone deposition algorithm and inclusion of halogen ch...

Biogenic halocarbons from coastal oceanic upwelling regions as tropospheric halogen source

Science.gov (United States)

Krüger, Kirstin; Fuhlbrügge, Steffen; Hepach, Helmke; Fiehn, Alina; Atlas, Elliot; Quack, Birgit

2016-04-01

Halogenated very short lived substances (VSLS) are naturally produced in the ocean and emitted to the atmosphere. Recently, oceanic upwelling regions in the tropical East Atlantic were identified as strong sources of brominated halocarbons to the troposphere. During a cruise of R/V METEOR in December 2012 the oceanic sources and emissions of various halogenated trace gases and their mixing ratios in the marine atmospheric boundary layer (MABL) were investigated above the Peruvian Upwelling for the first time. This study presents novel observations of the three VSLS bromoform, dibromomethane and methyl iodide together with high resolution meteorological measurements and Lagrangian transport modelling. Although relatively low oceanic emissions were observed, except for methyl iodide, surface atmospheric abundances were elevated. Radiosonde launches during the cruise revealed a low, stable MABL and a distinct trade inversion above acting both as strong barriers for convection and trace gas transport in this region. Significant correlations between observed atmospheric VSLS abundances, sea surface temperature, relative humidity and MABL height were found. We used a simple source-loss estimate to identify the contribution of oceanic emissions to observed atmospheric concentrations which revealed that the observed marine VSLS abundances were dominated by horizontal advection below the trade inversion. The observed VSLS variations can be explained by the low emissions and their accumulation under different MABL and trade inversion conditions. Finally, observations from a second Peruvian Upwelling cruise with R/V SONNE during El Nino in October 2015 will be compared to highlight the role of different El Nino Southern Oscillation conditions. This study confirms the importance of coastal oceanic upwelling and trade wind systems on creating effective transport barriers in the lowermost atmosphere controlling the distribution of VSLS abundances above coastal ocean upwelling

Chalcogen- and halogen-bonds involving SX2 (X = F, Cl, and Br) with formaldehyde.

Science.gov (United States)

Mo, Lixin; Zeng, Yanli; Li, Xiaoyan; Zhang, Xueying; Meng, Lingpeng

2016-07-01

The capacity of SX2 (X = F, Cl, and Br) to engage in different kinds of noncovalent bonds was investigated by ab initio calculations. SCl2 (SBr2) has two σ-holes upon extension of Cl (Br)-S bonds, and two σ-holes upon extension of S-Cl (Br) bonds. SF2 contains only two σ-holes upon extension of the F-S bond. Consequently, SCl2 and SBr2 form chalcogen and halogen bonds with the electron donor H2CO while SF2 forms only a chalcogen bond, i.e., no F···O halogen bond was found in the SF2:H2CO complex. The S···O chalcogen bond between SF2 and H2CO is the strongest, while the strongest halogen bond is Br···O between SBr2 and H2CO. The nature of these two types of noncovalent interaction was probed by a variety of methods, including molecular electrostatic potentials, QTAIM, energy decomposition, and electron density shift maps. Termolecular complexes X2S···H2CO···SX'2 (X = F, Cl, Br, and X' = Cl, Br) were constructed to study the interplay between chalcogen bonds and halogen bonds. All these complexes contained S···O and Cl (Br)···O bonds, with longer intermolecular distances, smaller values of electron density, and more positive three-body interaction energies, indicating negative cooperativity between the chalcogen bond and the halogen bond. In addition, for all complexes studied, interactions involving chalcogen bonds were more favorable than those involving halogen bonds. Graphical Abstract Molecular electrostatic potential and contour map of the Laplacian of the electron density in Cl2S···H2CO···SCl2 complex.

Rational design of organic semiconductors for texture control and self-patterning on halogenated surfaces

KAUST Repository

Ward, Jeremy W.

2014-05-15

Understanding the interactions at interfaces between the materials constituting consecutive layers within organic thin-film transistors (OTFTs) is vital for optimizing charge injection and transport, tuning thin-film microstructure, and designing new materials. Here, the influence of the interactions at the interface between a halogenated organic semiconductor (OSC) thin film and a halogenated self-assembled monolayer on the formation of the crystalline texture directly affecting the performance of OTFTs is explored. By correlating the results from microbeam grazing incidence wide angle X-ray scattering (μGIWAXS) measurements of structure and texture with OTFT characteristics, two or more interaction paths between the terminating atoms of the semiconductor and the halogenated surface are found to be vital to templating a highly ordered morphology in the first layer. These interactions are effective when the separating distance is lower than 2.5 dw, where dw represents the van der Waals distance. The ability to modulate charge carrier transport by several orders of magnitude by promoting "edge-on" versus "face-on" molecular orientation and crystallographic textures in OSCs is demonstrated. It is found that the "edge-on" self-assembly of molecules forms uniform, (001) lamellar-textured crystallites which promote high charge carrier mobility, and that charge transport suffers as the fraction of the "face-on" oriented crystallites increases. The role of interfacial halogenation in mediating texture formation and the self-patterning of organic semiconductor films, as well as the resulting effects on charge transport in organic thin-film transistors, are explored. The presence of two or more anchoring sites between a halogenated semiconductor and a halogenated self-assembled monolayer, closer than about twice the corresponding van der Waals distance, alter the microstructure and improve electrical properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A novel bridge coupler for SSC coupled cavity linac

International Nuclear Information System (INIS)

Yao, C.G.; Chang, C.R.; Funk, W.

1992-01-01

A novel magnetically coupled multi-cavity bridge coupler is proposed for SSC Coupled-Cavity-Linac (CCL). The bridge coupler is a five cell disc-loaded waveguide with a small central aperture used for measurement and two large curved coupling slots near the edge on each disc. The two coupling slots on the adjacent disc are rotated 90 degrees in orientation to reduce the direct coupling. This type of structure is capable of producing very large coupling (>10% in our longest bridge coupler). Also because of the small opening on the discs, the high-order-modes are very far (> 300 MHz) above the operating mode. Thus for long bridge couplers, the magnetic coupled structure should provide maximum coupling with minimum mode mixing problems. In this paper both physics and engineering issues of this new bridge coupler are presented. (Author) 5 refs., 2 tabs., 6 figs

Flame retardant synergism between molybdenum and halogen-containing compounds in unsaturated polyesters. [Smoke suppression

Energy Technology Data Exchange (ETDEWEB)

Skinner, G.A.; Parker, L.E.; Marshall, P.J.

1978-01-01

Oxygen index results for a series of unsaturated polyesters, containing molybdenum oxide and various halogenated compounds, have provided definite evidence for some form of flame retardant synergistic effect between molybdenum and halogen. With the halogenated compounds used, the magnitude of the effect was greater in the presence of bromine but was dependent on the type of compound. When dibromoneopentyl glycol was used as the bromine source, the synergistic effect exhibited by molybdenum oxide was comparable to that shown by antimony oxide. Since molybdenum oxide also acts as a smoke suppressant, it could offer a useful alternative to antimony oxide particularly in the light of probable changes in standards and regulatory control regarding smoke emission. 4 figures, 2 tables.

Release of chlorinated, brominated and mixed halogenated dioxin-related compounds to soils from open burning of e-waste in Agbogbloshie (Accra, Ghana).

Science.gov (United States)

Tue, Nguyen Minh; Goto, Akitoshi; Takahashi, Shin; Itai, Takaaki; Asante, Kwadwo Ansong; Kunisue, Tatsuya; Tanabe, Shinsuke

2016-01-25

Although complex mixtures of dioxin-related compounds (DRCs) can be released from informal e-waste recycling, DRC contamination in African e-waste recycling sites has not been investigated. This study examined the concentrations of DRCs including chlorinated, brominated, mixed halogenated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs, PBDD/Fs, PXDD/Fs) and dioxin-like polychlorinated biphenyls (DL-PCBs) in surface soil samples from the Agbogbloshie e-waste recycling site in Ghana. PCDD/F and PBDD/F concentrations in open burning areas (18-520 and 83-3800 ng/g dry, respectively) were among the highest reported in soils from informal e-waste sites. The concentrations of PCDFs and PBDFs were higher than those of the respective dibenzo-p-dioxins, suggesting combustion and PBDE-containing plastics as principal sources. PXDFs were found as more abundant than PCDFs, and higher brominated analogues occurred at higher concentrations. The median total WHO toxic equivalent (TEQ) concentration in open burning soils was 7 times higher than the U.S. action level (1000 pg/g), with TEQ contributors in the order of PBDFs>PCDD/Fs>PXDFs. DRC emission to soils over the e-waste site as of 2010 was estimated, from surface soil lightness based on the correlations between concentrations and lightness, at 200mg (95% confidence interval 93-540 mg) WHO-TEQ over three years. People living in Agbogbloshie are potentially exposed to high levels of not only chlorinated but also brominated DRCs, and human health implications need to be assessed in future studies. Copyright © 2015 Elsevier B.V. All rights reserved.

Halogen speciation in volcanic plumes - Development of compact denuder sampling techniques with in-situ derivatization followed by gas chromatography-mass spectrometry and their application at Mt. Etna, Mt. Nyiragongo and Mt. Nyamulagira in 2015.

Science.gov (United States)

Rüdiger, Julian; Bobrowski, Nicole; Hoffmann, Thorsten

2016-04-01

products. The diffusion denuder technique allows sampling of gaseous compounds exclusively without collecting particulate matter. Solvent elution of the derivatized analytes and subsequent analysis with gas chromatography-mass spectrometry gives a limit of detection below 1 ng of bromine. The method was applied in 2015 on volcanic gas plumes at Mt. Etna (Italy), Mt. Nyiragongo and Mt. Nyamulagira (DR Congo) giving reactive bromine mixing ratios from 0.3 ppb (Nyiragongo) up to 22 ppb (Etna, NEC). Compared with total halogen data derived by alkaline trap sampling (Raschig-tube) and ion-chromatography analysis the reactive bromine mixing ratios allow the investigation of the conversion of HBr into reactive species due to plume chemistry with progressing plume age. The new method will be described in detail and the first results on the reactive halogen to total halogen output will be discussed (for bromine and chlorine) and compared to earlier volcanic plume chemistry model studies. References Bobrowski, N. and G. Giuffrida: Bromine monoxide / sulphur dioxide ratios in relation to volcanological observations at Mt. Etna 2006-2009. Solid Earth, 3, 433-445, 2012 Bobrowski, N., R. von Glasow, A. Aiuppa, S. Inguaggiato, I. Louban, O. W. Ibrahim and U. Platt: Reactive halogen chemistry in volcanic plumes. J. Geophys. Res., 112, 2007 Donovan A., V. Tsanev, C. Oppenheimer and M. Edmonds: Reactive halogens (BrO and OClO) detected in the plume of Soufrière Hills Volcano during an eruption hiatus. Geochem. Geophys. Geosyst., 15, 3346-3363, 2014 Rüdiger, J., N. Bobrowski, T. Hoffmann (2015), Development and application of compact denuder sampling techniques with in situ derivatization followed by gas chromatography-mass spectrometry for halogen speciation in volcanic plumes (EGU2015-2392-2), EGU General Assembly 2015

Study of the halogenation of EuBa[sub 2]Cu[sub 3]O[sub 6]. Etude de l'halogenation de EuBa[sub 2]Cu[sub 3]O[sub 6

Energy Technology Data Exchange (ETDEWEB)

Kabeya, D.T. (Rennes-1 Univ., 35 (France). Lab. de Chimie du Solide et Inorganique Moleculaire); Mokhtari, M. (Rennes-1 Univ., 35 (France). Lab. de Chimie du Solide et Inorganique Moleculaire); Perrin, C. (Rennes-1 Univ., 35 (France). Lab. de Chimie du Solide et Inorganique Moleculaire); Sergent, M. (Rennes-1 Univ., 35 (France). Lab. de Chimie du Solide et Inorganique Moleculaire); Grushko, Yu. (Russian Academy of Sciences, Gatchina (Russian Federation). Nuclear Physics Inst.); Kokovina, L. (Russian Academy of Sciences, Gatchina (Russian Federation). Nuclear Physics Inst.); Rozhniakova, N. (Russian Academy of Sciences, Gatchina (Russian Federation). Nuclear Physics Inst.)

1994-11-01

Sintered samples of EuBa[sub 2]Cu[sub 3]O[sub 6] have been halogenated at low temperature (t<300 C) by treatments under NF[sub 3] or CCl[sub 4] flow diluted in nitrogen, or by reaction with iodine in sealed tubes. Such mild conditions of synthesis allowed to avoid the decomposition of the material during the reactions. The incorporation of the halogen in the sample has been evidenced by the weight gain, by the evolution of the unit-cell parameters and by SEM and EDS analyses. After fluorination and chlorination, the samples become superconducting, but no superconducting behaviour is observed after iodination. These results are compared to the ones previously obtained during the halogenation of YBa[sub 2]Cu[sub 3]O[sub 6]. (orig.).

UARS Halogen Occultation Experiment (HALOE) Level 2 V001

Data.gov (United States)

National Aeronautics and Space Administration — The HALOE home page on the WWW is http://haloe.gats-inc.com/home/index.php The Halogen Occultation Experiment (HALOE) on NASA's Upper Atmosphere Research Satellite...

Biogas from MSW landfill: Composition and determination of chlorine content with the AOX (adsorbable organically bound halogens) technique

International Nuclear Information System (INIS)

Rey, M.D.; Font, R.; Aracil, I.

2013-01-01

An exhaustive characterization of the biogas from some waste disposal facilities has been carried out. The analysis includes the main components (methane, carbon dioxide, nitrogen and oxygen) as well as trace components such as hydrogen sulphide, ammonia and VOCs (volatile organic compounds) including siloxanes and halogenated compounds. VOCs were measured by GC/MS (Gas Chromatography/Mass Spectrometry) using two different procedures: thermal desorption of the Tenax TA and Carbotrap 349 tubes and SPME (Solid Phase Micro-Extraction). A method has been established to measure the total halogen content of the biogas with the AOX (adsorbable organically bound halogens) technique. The equipment used to analyze the samples was a Total Organic Halogen Analyzer (TOX-100). Similar results were obtained when comparing the TOX (Total Organic Halogen) values with those obtained by GC/MS. The halogen content in all the samples was under 22 mg Cl/Nm 3 which is below the limit of 150 mg/Nm 3 proposed in the Spanish Regulations for any use of the biogas. The low chlorine content in the biogas studied, as well as the low content of other trace compounds, makes it suitable for use as a fuel for electricity generating engines

Self-assembly of iodine in superfluid helium droplets. Halogen bonds and nanocrystals

Energy Technology Data Exchange (ETDEWEB)

He, Yunteng; Zhang, Jie; Lei, Lei; Kong, Wei [Department of Chemistry, Oregon State University, Corvallis, OR (United States)

2017-03-20

We present evidence of halogen bond in iodine clusters formed in superfluid helium droplets based on results from electron diffraction. Iodine crystals are known to form layered structures with intralayer halogen bonds, with interatomic distances shorter than the sum of the van der Waals radii of the two neighboring atoms. The diffraction profile of dimer dominated clusters embedded in helium droplets reveals an interatomic distance of 3.65 Aa, much closer to the value of 3.5 Aa in iodine crystals than to the van der Waals distance of 4.3 Aa. The profile from larger iodine clusters deviates from a single layer structure; instead, a bi-layer structure qualitatively fits the experimental data. This work highlights the possibility of small halogen bonded iodine clusters, albeit in a perhaps limited environment of superfluid helium droplets. The role of superfluid helium in guiding the trapped molecules into local potential minima awaits further investigation. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Competition of hydrogen bonds and halogen bonds in complexes of hypohalous acids with nitrogenated bases.

Science.gov (United States)

Alkorta, Ibon; Blanco, Fernando; Solimannejad, Mohammad; Elguero, Jose

2008-10-30

A theoretical study of the complexes formed by hypohalous acids (HOX, X = F, Cl, Br, I, and At) with three nitrogenated bases (NH 3, N 2, and NCH) has been carried out by means of ab initio methods, up to MP2/aug-cc-pVTZ computational method. In general, two minima complexes are found, one with an OH...N hydrogen bond and the other one with a X...N halogen bond. While the first one is more stable for the smallest halogen derivatives, the two complexes present similar stabilities for the iodine case and the halogen-bonded structure is the most stable one for the hypoastatous acid complexes.

Ab Initio Calculations on Halogen Bond Between N-Br and Electron-donating Groups

Institute of Scientific and Technical Information of China (English)

WANG Yan-hua; CHEN Xue-song; ZOU Jian-wei; YU Qing-sen

2007-01-01

Ab initio calculations of complexes formed between N-bromosuccinimide and a series of electron-donating groups were performed at the level of MP2/Lanl2DZ* to gain a deeper insight into the nature of the N-Br halogen stronger halogen-bonding complex than the C-Br. A comparison of neutral hydrogen bond complex series reveals that the electron-donating capacities of the atoms decrease in the order, N＞O＞S; O(sp3)＞O(sp2), which is adequate for the C-Br halogen bonding. Interaction energies, in conjunction with the geometrical parameters show that the affinitive capacity of trihalide anions X-3 with N-bromosuccinimide are markedly lower than that of the corresponding X- with N-bromosuccinimide, even lower than those of neutral molecules with N-bromosuccinimide. AIM analyses further confirmed the above results.

Hybrid Bridge Structures Made of Frp Composite and Concrete

Science.gov (United States)

Rajchel, Mateusz; Siwowski, Tomasz

2017-09-01

Despite many advantages over the conventional construction materials, the contemporary development of FRP composites in bridge engineering is limited due to high initial cost, low stiffness (in case of glass fibers) and sudden composite failure mode. In order to reduce the given limitations, mixed (hybrid) solutions connecting the FRP composites and conventional construction materials, including concrete, have been tested in many countries for 20 years. Shaping the hybrid structures based on the attributes of particular materials, aims to increase stiffness and reduce cost without losing the carrying capacity, lightness and easiness of bridges that includes such hybrid girders, and to avoid the sudden dangerous failure mode. In the following article, the authors described examples of hybrid road bridges made of FRP composite and concrete within the time of 20 years and presented the first Polish hybrid FRP-concrete road bridge. Also, the directions of further research, necessary to spread these innovative, advanced and sustainable bridge structures were indicated.

Selenium-Mediated Dehalogenation of Halogenated Nucleosides and its Relevance to the DNA Repair Pathway.

Science.gov (United States)

Mondal, Santanu; Manna, Debasish; Mugesh, Govindasamy

2015-08-03

Halogenated nucleosides can be incorporated into the newly synthesized DNA of replicating cells and therefore are commonly used in the detection of proliferating cells in living tissues. Dehalogenation of these modified nucleosides is one of the key pathways involved in DNA repair mediated by the uracil-DNA glycosylase. Herein, we report the first example of a selenium-mediated dehalogenation of halogenated nucleosides. We also show that the mechanism for the debromination is remarkably different from that of deiodination and that the presence of a ribose or deoxyribose moiety in the nucleosides facilitates the deiodination. The results described herein should help in understanding the metabolism of halogenated nucleosides in DNA and RNA. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules

Czech Academy of Sciences Publication Activity Database

Řezáč, Jan; Riley, Kevin Eugene; Hobza, Pavel

2012-01-01

Roč. 8, č. 11 (2012), s. 4285-4292 ISSN 1549-9618 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : halogenated molecules * noncovalent interactions * benchmark calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.389, year: 2012

Polar Flattening and the Strength of Halogen Bonding

Czech Academy of Sciences Publication Activity Database

Sedlák, Robert; Kolář, Michal H.; Hobza, Pavel

2015-01-01

Roč. 11, č. 10 (2015), s. 4727-4732 ISSN 1549-9618 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : density functional theory * interaction energies * halogen bonding Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.301, year: 2015

The Effect of Intermolecular Halogen Bond on 19F DNP Enhancement in 1, 4-Diiodotetrafluorobenzene/4-OH-TEMPO Supramolecular Assembly

Directory of Open Access Journals (Sweden)

GAO Shan

2017-12-01

Full Text Available Halogen bond, as hydrogen bond, is a non-covalent bond. Dynamic nuclear polarization (DNP technique has been used previously to study hydrogen bonds-mediated intermolecular interactions. However, no study has been carried out so far to study the halogen bond-mediated intermolecular interactions with DNP. In this work, 19F DNP polarization efficiency of the halogen bonds existing in supramolecular assembling by 4-OH-TEMPO and 1,4-diiodotetrafluorobenzene (DITFB was studied on a home-made DNP system. The formation of intermolecular halogen bonds appeared to increase 19F DNP polarization efficiency, suggesting that the spin-spin interactions among electrons were weakened by the halogen bonds, resulting in an increased T2e and a larger saturation factor.

A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems

Directory of Open Access Journals (Sweden)

Christer B. Aakeröy

2015-09-01

Full Text Available As halogen bonds gain prevalence in supramolecular synthesis and materials chemistry, it has become necessary to examine more closely how such interactions compete with or complement hydrogen bonds whenever both are present within the same system. As hydrogen and halogen bonds have several fundamental features in common, it is often difficult to predict which will be the primary interaction in a supramolecular system, especially as they have comparable strength and geometric requirements. To address this challenge, a series of molecules containing both hydrogen- and halogen-bond donors were co-crystallized with various monotopic, ditopic symmetric and ditopic asymmetric acceptor molecules. The outcome of each reaction was examined using IR spectroscopy and, whenever possible, single-crystal X-ray diffraction. 24 crystal structures were obtained and subsequently analyzed, and the synthon preferences of the competing hydrogen- and halogen-bond donors were rationalized against a background of calculated molecular electrostatic potential values. It has been shown that readily accessible electrostatic potentials can offer useful practical guidelines for predicting the most likely primary synthons in these co-crystals as long as the potential differences are weighted appropriately.

High energy halogen atom reactions activated by nuclear transformations. Progress report, February 15-December 31, 1984

International Nuclear Information System (INIS)

1985-01-01

Energetic halogen atoms or ions, activated by various nuclear transformations are studied in gas, high pressure and condensed phase saturated and unsaturated hydrocarbons, halomethanes, and liquid and solid aqueous solutions of biomolecular and organic solutes in order to understand better the mechanisms and dynamics of high energy monovalent species. The experimental program and its goals remain the same, consisting of four interrelated areas: (1) The stereochemistry of energetic 18 F, /sup 34m/Cl, and 38 Cl substitution reactions with chiral molecules in the gas and condensed phase is studied. (2) The gas to condensed state transition in halogen high energy chemistry, involving energetic chlorine, bromine, and iodine reactions in halomethanes, saturated and unsaturated hydrocarbons and aqueous solutions of biomolecules and alkyl halides is being investigated in more detail. Current attention is given to defining the nature of the enhancement yields in the condensed phase. Specifically, energetic halogen reactions in liquid and frozen aqueous solutions or organic and biomolecular solutes are studied. (3) Reactions of bromine and iodine activated by isomeric transition with halogenated biomolecular and organic solutes in liquid and frozen aqueous solutions are being studied in an attempt to learn more about the activation events in the condensed phase. (4) The applications of hot chemistry techniques and theory to neutron activation analysis of biological systems are being continued. Current attention is given to developing procedures for trace molecular determinations in biological systems. The applications of hot halogen atoms as site indicators in liquid and frozen aqueous solutions of halogenated bases and nucleosides are currently being developed. 14 references

Bridge Diagnosis by Using Nonlinear Independent Component Analysis and Displacement Analysis

Science.gov (United States)

Zheng, Juanqing; Yeh, Yichun; Ogai, Harutoshi

A daily diagnosis system for bridge monitoring and maintenance is developed based on wireless sensors, signal processing, structure analysis, and displacement analysis. The vibration acceleration data of a bridge are firstly collected through the wireless sensor network by exerting. Nonlinear independent component analysis (ICA) and spectral analysis are used to extract the vibration frequencies of the bridge. After that, through a band pass filter and Simpson's rule the vibration displacement is calculated and the vibration model is obtained to diagnose the bridge. Since linear ICA algorithms work efficiently only in linear mixing environments, a nonlinear ICA model, which is more complicated, is more practical for bridge diagnosis systems. In this paper, we firstly use the post nonlinear method to change the signal data, after that perform linear separation by FastICA, and calculate the vibration displacement of the bridge. The processed data can be used to understand phenomena like corrosion and crack, and evaluate the health condition of the bridge. We apply this system to Nakajima Bridge in Yahata, Kitakyushu, Japan.

Global impacts of tropospheric halogens (Cl, Br, I on oxidants and composition in GEOS-Chem

Directory of Open Access Journals (Sweden)

T. Sherwen

2016-09-01

Full Text Available We present a simulation of the global present-day composition of the troposphere which includes the chemistry of halogens (Cl, Br, I. Building on previous work within the GEOS-Chem model we include emissions of inorganic iodine from the oceans, anthropogenic and biogenic sources of halogenated gases, gas phase chemistry, and a parameterised approach to heterogeneous halogen chemistry. Consistent with Schmidt et al. (2016 we do not include sea-salt debromination. Observations of halogen radicals (BrO, IO are sparse but the model has some skill in reproducing these. Modelled IO shows both high and low biases when compared to different datasets, but BrO concentrations appear to be modelled low. Comparisons to the very sparse observations dataset of reactive Cl species suggest the model represents a lower limit of the impacts of these species, likely due to underestimates in emissions and therefore burdens. Inclusion of Cl, Br, and I results in a general improvement in simulation of ozone (O3 concentrations, except in polar regions where the model now underestimates O3 concentrations. Halogen chemistry reduces the global tropospheric O3 burden by 18.6 %, with the O3 lifetime reducing from 26 to 22 days. Global mean OH concentrations of 1.28  ×  106 molecules cm−3 are 8.2 % lower than in a simulation without halogens, leading to an increase in the CH4 lifetime (10.8 % due to OH oxidation from 7.47 to 8.28 years. Oxidation of CH4 by Cl is small (∼  2 % but Cl oxidation of other VOCs (ethane, acetone, and propane can be significant (∼  15–27 %. Oxidation of VOCs by Br is smaller, representing 3.9 % of the loss of acetaldehyde and 0.9 % of the loss of formaldehyde.

Thermodynamics parameters for binding of halogenated benzotriazole inhibitors of human protein kinase CK2α.

Science.gov (United States)

Winiewska, Maria; Kucińska, Katarzyna; Makowska, Małgorzata; Poznański, Jarosław; Shugar, David

2015-10-01

The interaction of human CK2α (hCK2α) with nine halogenated benzotriazoles, TBBt and its analogues representing all possible patterns of halogenation on the benzene ring of benzotriazole, was studied by biophysical methods. Thermal stability of protein-ligand complexes, monitored by calorimetric (DSC) and optical (DSF) methods, showed that the increase in the mid-point temperature for unfolding of protein-ligand complexes (i.e. potency of ligand binding to hCK2α) follow the inhibitory activities determined by biochemical assays. The dissociation constant for the ATP-hCK2α complex was estimated with the aid of microscale thermophoresis (MST) as 4.3±1.8 μM, and MST-derived dissociation constants determined for halogenated benzotriazoles, when converted according to known ATP concentrations, perfectly reconstruct IC50 values determined by the biochemical assays. Ligand-dependent quenching of tyrosine fluorescence, together with molecular modeling and DSC-derived heats of unfolding, support the hypothesis that halogenated benzotriazoles bind in at least two alternative orientations, and those that are efficient hCK2α inhibitors bind in the orientation which TBBt adopts in its complex with maize CK2α. DSC-derived apparent heat for ligand binding (ΔΔHbind) is driven by intermolecular electrostatic interactions between Lys68 and the triazole ring of the ligand, as indicated by a good correlation between ΔΔHbind and ligand pKa. Overall results, additionally supported by molecular modeling, confirm that a balance of hydrophobic and electrostatic interactions contribute predominantly (~40 kJ/mol), relative to possible intermolecular halogen/hydrogen bonding (less than 10 kJ/mol), in binding of halogenated benzotriazoles to the ATP-binding site of hCK2α. This article is part of a Special Issue entitled: Inhibitors of Protein Kinases. Copyright © 2015 Elsevier B.V. All rights reserved.

Radiolysis of aqueous solutions of nucleosides halogenated at the sugar moiety

Energy Technology Data Exchange (ETDEWEB)

Hissung, A; Isildar, M; von Sonntag, C [Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr (Germany, F.R.). Inst. fuer Strahlenforschung; Witzel, H [Biochemisches Institut der Westfaelischen Wilhelms-Universitaet, Muenster, West Germany

1981-02-01

The pulse radiolysis of aqueous solutions of nucleosides halogenated at the sugar moiety (2'-bromo-2'-deoxyuridine 4, 3'-deoxy-3'-iodothymidine 5, 5'-deoxy-5'-iodouridine 6) has been studied. G(Hal) were determined by conductometry varying the experimental conditions (pH, saturation with Ar, N/sub 2/O or air, addition of t-butanol). The results indicate that solvated electrons both add to the nucleobases and eliminate halogen ions from the halogenated sugar moiety. In the case of 4(and possibly of 5) the radical anion of the base transfers (k approximately 10/sup 5/s/sup -1/) an electron to the sugar-bound halogen atom thus cleaving the C-Hal bond. In competition with this reaction there is a protonation of the radical anion of the base by protons and by water. For the latter reaction constant of k = 5 x 10/sup 3/ M/sup -1/s/sup -1/ was estimated. Compound 4 has also been investigated by product analysis after 60-Co-..gamma..-irradiation. In aerated solutions erythrose is formed with a G-value of 0.12. Its precursor radical is the 2'-radical generated from 4 by dissociative electron capture which reacts with O/sub 2/ to the corresponding peroxyl radical. Erythrose is formed after a sequence of reactions, one of which involves the scission of the C-1'-C-2'bond. Under this condition G(HBr) as measured by pulse radiolysis is 0.8. Thus erythrose is formed in 15 per cent yield with respect to its precursor radical. This result is of importance in assessing the precursor radical of a similar product observed in irradiated DNA.

Radiolysis of aqueous solutions of nucleosides halogenated at the sugar moiety

International Nuclear Information System (INIS)

Hissung, A.; Isildar, M.; Sonntag, C. von; Witzel, H.

1981-01-01

The pulse radiolysis of aqueous solutions of nucleosides halogenated at the sugar moiety (2'-bromo-2'-deoxyuridine 4, 3'-deoxy-3'-iodothymidine 5, 5'-deoxy-5'-iodouridine 6) has been studied. G(Hal) were determined by conductometry varying the experimental conditions (pH, saturation with Ar, N 2 O or air, addition of t-butanol). The results indicate that solvated electrons both add to the nucleobases and eliminate halogen ions from the halogenated sugar moiety. In the case of 4(and possibly of 5) the radical anion of the base transfers (k approximately 10 5 s -1 ) an electron to the sugar-bound halogen atom thus cleaving the C-Hal bond. In competition with this reaction there is a protonation of the radical anion of the base by protons and by water. For the latter reaction constant of k = 5 x 10 3 M -1 s -1 was estimated. Compound 4 has also been investigated by product analysis after 60-Co-γ-irradiation. In aerated solutions erythrose is formed with a G-value of 0.12. Its precursor radical is the 2'-radical generated from 4 by dissociative electron capture which reacts with O 2 to the corresponding peroxyl radical. Erythrose is formed after a sequence of reactions, one of which involves the scission of the C-1'-C-2'bond. Under this condition G(HBr) as measured by pulse radiolysis is 0.8. Thus erythrose is formed in 15 per cent yield with respect to its precursor radical. This result is of importance in assessing the precursor radical of a similar product observed in irradiated DNA. (author)

Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom

Science.gov (United States)

Ding, Xin; Tuikka, Matti; Hirva, Pipsa; Haukka, Matti

2017-09-01

Halogen bonding between [Ru(bpy)(CO)2(S-SCN)2] (bpy = 2,2'-bipyridine), I2 was studied by co-crystallising the metal compound and diiodine from dichloromethane. The only observed crystalline product was found to be [Ru(bpy)(CO)2(S-SCN)2]ṡI2 with only one NCSṡṡṡI2 halogen bond between I2 and the metal coordinated S atom of one of the thiocyanate ligand. The dangling nitrogen atoms were not involved in halogen bonding. However, computational analysis suggests that there are no major energetic differences between the NCSṡṡṡI2 and SCNṡṡṡI2 bonding modes. The reason for the observed NCSṡṡṡI2 mode lies most probably in the more favourable packing effects rather than energetic preferences between NCSṡṡṡI2 and SCNṡṡṡI2 contacts.

Organohalide respiration in pristine environments: implications for the natural halogen cycle.

Science.gov (United States)

Atashgahi, Siavash; Häggblom, Max M; Smidt, Hauke

2018-03-01

Halogenated organic compounds, also termed organohalogens, were initially considered to be of almost exclusively anthropogenic origin. However, over 5000 naturally synthesized organohalogens are known today. This has also fuelled the hypothesis that the natural and ancient origin of organohalogens could have primed development of metabolic machineries for their degradation, especially in microorganisms. Among these, a special group of anaerobic microorganisms was discovered that could conserve energy by reducing organohalogens as terminal electron acceptor in a process termed organohalide respiration. Originally discovered in a quest for biodegradation of anthropogenic organohalogens, these organohalide-respiring bacteria (OHRB) were soon found to reside in pristine environments, such as the deep subseafloor and Arctic tundra soil with limited/no connections to anthropogenic activities. As such, accumulating evidence suggests an important role of OHRB in local natural halogen cycles, presumably taking advantage of natural organohalogens. In this minireview, we integrate current knowledge regarding the natural origin and occurrence of industrially important organohalogens and the evolution and spread of OHRB, and describe potential implications for natural halogen and carbon cycles. © 2017 Society for Applied Microbiology and John Wiley & Sons Ltd.

Photofragmentation spectra of halogenated methanes in the VUV photon energy range

Energy Technology Data Exchange (ETDEWEB)

Cartoni, Antonella, E-mail: antonella.cartoni@uniroma1.it [Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza Università di Roma, P.le Aldo Moro 5, Roma 00185 (Italy); Bolognesi, Paola; Fainelli, Ettore; Avaldi, Lorenzo [CNR-IMIP, Area della Ricerca di Roma 1, Monterotondo Scalo (Rm) 00015 (Italy)

2014-05-14

In this paper an investigation of the photofragmentation of dihalomethanes CH{sub 2}X{sub 2} (X = F, Cl, Br, I) and chlorinated methanes (CH{sub n}Cl{sub 4−n} with n = 0–3) with VUV helium, neon, and argon discharge lamps is reported and the role played by the different halogen atoms is discussed. Halogenated methanes are a class of molecules used in several fields of chemistry and the study of their physical and chemical proprieties is of fundamental interest. In particular their photodissociation and photoionization are of great importance since the decomposition of these compounds in the atmosphere strongly affects the environment. The results of the present work show that the halogen-loss is the predominant fragmentation channel for these molecules in the VUV photon energy range and confirm their role as reservoir of chlorine, bromine, and iodine atoms in the atmosphere. Moreover, the results highlight the peculiar feature of CH{sub 2}F{sub 2} as a source of both fluorine and hydrogen atoms and the characteristic formation of I{sub 2}{sup +} and CH{sub 2}{sup +} ions from the photofragmentation of the CH{sub 2}I{sub 2} molecule.

Mutagenic activity of halogenated propanes and propenes: effect of bromine and chlorine positioning.

Science.gov (United States)

Låg, M; Omichinski, J G; Dybing, E; Nelson, S D; Søderlund, E J

1994-10-01

A series of halogenated propanes and propenes were studied for mutagenic effects in Salmonella typhimurium TA100 in the absence or presence of NADPH plus liver microsomes from phenobarbital-induced rats as an exogenous metabolism system. The cytotoxic and mutagenic effects of the halogenated propane 1,2-dibromo-3-chloropropane (DBCP) has previously been studied in our laboratories. These studies showed that metabolic activation of DBCP was required to exert its detrimental effects. All of the trihalogenated propane analogues were mutagenic when the microsomal activation system was included. The highest mutagenic activity was obtained with 1,2,3-tribromopropane, with approximately 50-fold higher activity than the least mutagenic trihalogenated propane, 1,2,3-trichloropropane. The order of mutagenicity was as follows: 1,2,3-tribromopropane > or = 1,2-dibromo- 3-chloropropane > 1,3-dibromo-2-chloropropane > or = 1,3-dichloro-2-bromopropane > 1-bromo-2,3-dichloropropane > 1,2,3-trichloropropane. Compared to DBCP, the dihalogenated propanes were substantially less mutagenic. Only 1,2-dibromopropane was mutagenic and its mutagenic potential was approximately 1/30 of that of DBCP. In contrast to DBCP, 1,2-dibromopropane showed similar mutagenic activity with and without the addition of an activation system. The halogenated propenes 2,3-dibromopropene and 2-bromo-3-chloropropene were mutagenic to the bacteria both in the absence and presence of the activation system, whereas 2,3-dichloropropene did not show any mutagenic effect. The large differences in mutagenic potential between the various halogenated propanes and propenes are proposed to be due to the formation of different possible proximate and ultimate mutagenic metabolites resulting from the microsomal metabolism of the various halogenated propanes and propenes, and to differences in the rate of formation of the metabolites. Pathways are proposed for the formation of genotoxic metabolites of di- and trihalogenated

Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY.

Science.gov (United States)

El Hage, Krystel; Pandyarajan, Vijay; Phillips, Nelson B; Smith, Brian J; Menting, John G; Whittaker, Jonathan; Lawrence, Michael C; Meuwly, Markus; Weiss, Michael A

2016-12-30

Insulin, a protein critical for metabolic homeostasis, provides a classical model for protein design with application to human health. Recent efforts to improve its pharmaceutical formulation demonstrated that iodination of a conserved tyrosine (Tyr B26 ) enhances key properties of a rapid-acting clinical analog. Moreover, the broad utility of halogens in medicinal chemistry has motivated the use of hybrid quantum- and molecular-mechanical methods to study proteins. Here, we (i) undertook quantitative atomistic simulations of 3-[iodo-Tyr B26 ]insulin to predict its structural features, and (ii) tested these predictions by X-ray crystallography. Using an electrostatic model of the modified aromatic ring based on quantum chemistry, the calculations suggested that the analog, as a dimer and hexamer, exhibits subtle differences in aromatic-aromatic interactions at the dimer interface. Aromatic rings (Tyr B16 , Phe B24 , Phe B25 , 3-I-Tyr B26 , and their symmetry-related mates) at this interface adjust to enable packing of the hydrophobic iodine atoms within the core of each monomer. Strikingly, these features were observed in the crystal structure of a 3-[iodo-Tyr B26 ]insulin analog (determined as an R 6 zinc hexamer). Given that residues B24-B30 detach from the core on receptor binding, the environment of 3-I-Tyr B26 in a receptor complex must differ from that in the free hormone. Based on the recent structure of a "micro-receptor" complex, we predict that 3-I-Tyr B26 engages the receptor via directional halogen bonding and halogen-directed hydrogen bonding as follows: favorable electrostatic interactions exploiting, respectively, the halogen's electron-deficient σ-hole and electronegative equatorial band. Inspired by quantum chemistry and molecular dynamics, such "halogen engineering" promises to extend principles of medicinal chemistry to proteins. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study

Science.gov (United States)

Ariyaeifar, Mahnaz; Amiri Rudbari, Hadi; Sahihi, Mehdi; Kazemi, Zahra; Kajani, Abolghasem Abbasi; Zali-Boeini, Hassan; Kordestani, Nazanin; Bruno, Giuseppe; Gharaghani, Sajjad

2018-06-01

Eight enantiomerically pure halogenated Schiff base compounds were synthesized by reaction of halogenated salicylaldehydes with 3-Amino-1,2-propanediol (R or S) in water as green solvent at ambient temperature. All compounds were characterized by elemental analyses, NMR (1H and 13C), circular dichroism (CD) and FT-IR spectroscopy. FS-DNA binding studies of these compounds carried out by fluorescence quenching and UV-vis spectroscopy. The obtained results revealed that the ligands bind to DNA as: (Rsbnd ClBr) > (Rsbnd Cl2) > (Rsbnd Br2) > (Rsbnd I2) and (Ssbnd ClBr) > (Ssbnd Cl2) > (Ssbnd Br2) > (Ssbnd I2), indicating the effect of halogen on binding constant. In addition, DNA-binding constant of the Ssbnd and R-enantiomers are different from each other. The ligands can form halogen bonds with DNA that were confirmed by molecular docking. This method was also measured the bond distances and bond angles. The study of obtained data can have concluded that binding affinity of the ligands to DNA depends on strength of halogen bonds. The potential anticancer activity of ligands were also evaluated on MCF-7 and HeLa cancer cell lines by using MTT assay. The results showed that the anticancer activity and FS-DNA interaction is significantly dependent on the stereoisomers of Schiff base compounds as R-enantiomers displayed significantly higher activity than S-enantiomers. The molecular docking was also used to illustrate the specific DNA-binding of synthesized compounds and groove binding mode of DNA interaction was proposed for them. In addition, molecular docking results indicated that there are three types of bonds (Hsbnd and X-bond and hX-bond) between synthesized compounds and base pairs of DNA.

Detection of halogenated flame retardants in polyurethane foam by particle induced X-ray emission

International Nuclear Information System (INIS)

Maley, Adam M.; Falk, Kyle A.; Hoover, Luke; Earlywine, Elly B.; Seymour, Michael D.; DeYoung, Paul A.; Blum, Arlene; Stapleton, Heather M.; Peaslee, Graham F.

2015-01-01

A novel application of particle-induced X-ray emission (PIXE) has been developed to detect the presence of chlorinated and brominated flame retardant chemicals in polyurethane foams. Traditional Gas Chromatography–Mass Spectrometry (GC–MS) methods for the detection and identification of halogenated flame retardants in foams require extensive sample preparation and data acquisition time. The elemental analysis of the halogens in polyurethane foam performed by PIXE offers the opportunity to identify the presence of halogenated flame retardants in a fraction of the time and sample preparation cost. Through comparative GC–MS and PIXE analysis of 215 foam samples, excellent agreement between the two methods was obtained. These results suggest that PIXE could be an ideal rapid screening method for the presence of chlorinated and brominated flame retardants in polyurethane foams

Detection of halogenated flame retardants in polyurethane foam by particle induced X-ray emission

Energy Technology Data Exchange (ETDEWEB)

Maley, Adam M.; Falk, Kyle A.; Hoover, Luke; Earlywine, Elly B.; Seymour, Michael D. [Department of Chemistry, Hope College, 35 E. 12th Street, Holland, MI 49423 (United States); DeYoung, Paul A. [Department of Physics, Hope College, 27 Graves Place, Holland, MI 49423 (United States); Blum, Arlene [Green Science Policy Institute, Box 5455, Berkeley, CA 94705 (United States); Stapleton, Heather M. [Nicholas School of the Environment, Duke University, LSRC Box 90328, Durham, NC 27708 (United States); Peaslee, Graham F., E-mail: peaslee@hope.edu [Department of Chemistry, Hope College, 35 E. 12th Street, Holland, MI 49423 (United States)

2015-09-01

A novel application of particle-induced X-ray emission (PIXE) has been developed to detect the presence of chlorinated and brominated flame retardant chemicals in polyurethane foams. Traditional Gas Chromatography–Mass Spectrometry (GC–MS) methods for the detection and identification of halogenated flame retardants in foams require extensive sample preparation and data acquisition time. The elemental analysis of the halogens in polyurethane foam performed by PIXE offers the opportunity to identify the presence of halogenated flame retardants in a fraction of the time and sample preparation cost. Through comparative GC–MS and PIXE analysis of 215 foam samples, excellent agreement between the two methods was obtained. These results suggest that PIXE could be an ideal rapid screening method for the presence of chlorinated and brominated flame retardants in polyurethane foams.

Can Halogen Enrichment in Reduced Enstatite Chondrites Provide Clues to Volatile Accretion in the Early Earth?

Science.gov (United States)

Clay, P. L.; Burgess, R.; Busemann, H.; Ruzié, L.; Joachim, B.; Ballentine, C.

2013-12-01

Understanding how the Earth obtained and ultimately retained its volatiles is important for our overall understanding of large scale planetary evolution. Numerous models exist for the heterogeneous accretion of volatiles to early Earth, but accounting for all elements through accretion of typical planetary building blocks (e.g., CI chondrites) is difficult. Proto-planetary collisions resulting in the accretion of volatile-poor material under reducing conditions followed by accretion of volatile-rich material under oxidizing conditions has been suggested in such models [e.g., 1]. The heavy halogens (Cl, Br and I), a group of moderately volatile elements, are excellent tracers of planetary processing due to their low abundance and incompatible nature. Therefore characterizing halogen abundance and distribution in materials that accreted to form the planets, e.g., primitive meteorites, is crucial. One group of primitive meteorites, the enstatite chondrites (EC's), are amongst the most reduced materials in the solar system as evidenced by their unique mineral assemblage. Yet despite forming under ultra-reducing conditions, they are enriched in the moderately volatile elements, such as the halogens. The ECs are of particular interest owing to their oxygen isotopic composition which plots along the terrestrial fractionation line, linking them isotopically to the Earth-Moon system. These samples can thus potentially provide clues on the accretion of moderately volatile element rich material under reducing conditions, such as it may have existed during the early stages of Earth's accretion. Chlorine, Br and I concentrations in ECs were determined through step-heating small neutron-irradiated samples (0.3 to 3.3 mg) and measured by mass spectrometry using the noble gas proxy isotopes 38ArCl/Cl, 80KrBr/Br and 128XeI/I. The EH chondrites are consistently enriched in the heavy halogens (up to 330 ppm Cl, 2290 ppb Br and 180 ppb I), compared to other ordinary and carbonaceous

Evaluation of 10 aliphatic halogenated hydrocarbons in the mouse bone marrow micronucleus test.

Science.gov (United States)

Crebelli, R; Carere, A; Leopardi, P; Conti, L; Fassio, F; Raiteri, F; Barone, D; Ciliutti, P; Cinelli, S; Vericat, J A

1999-03-01

Ten halogenated aliphatic hydrocarbons (carbon tetrachloride, 1-chlorohexane, 2,3-dichlorobutane, 1,2-dichloroethane, 1,2-dichloroethylene, 1,3-dichloropropane, hexachloroethane, 1,1,2-trichloroethane, 1,2,3-trichloropropane and 1,1,3-trichloropropene), previously assayed in genetic assays in fungi, were evaluated in the mouse bone marrow micronucleus test in order to assess their genotoxicity in vivo. All chemicals were administered once i.p. at 40 and 70-80% of their respective LD50 to male and female CD-1 mice, 24 and 48 h before killing. All treatments produced evident clinical symptoms, but no marked depression of bone marrow proliferation. No statistically significant increases in the incidence of micronucleated polychromatic erythrocytes over the control values were observed at any sampling time with any of the 10 halogenated hydrocarbons assayed. The comparison of the results obtained in this study with the findings provided by in vitro micronucleus assays on the same chemicals, reported by other authors, indicate that mouse bone marrow is weakly sensitive to the genotoxic effects induced by halogenated hydrocarbons in other test systems. This suggests that the role of such an assay in carcinogen screening may be questionable for this chemical class. An examination of mouse bone marrow micronucleus test results with the halogenated aliphatic hydrocarbons classified as carcinogens by IARC supports this conclusion.

Copper-catalyzed recycling of halogen activating groups via 1,3-halogen migration.

Science.gov (United States)

Grigg, R David; Van Hoveln, Ryan; Schomaker, Jennifer M

2012-10-03

A Cu(I)-catalyzed 1,3-halogen migration reaction effectively recycles an activating group by transferring bromine or iodine from a sp(2) to a benzylic carbon with concomitant borylation of the Ar-X bond. The resulting benzyl halide can be reacted in the same vessel under a variety of conditions to form an additional carbon-heteroatom bond. Cross-over experiments using an isotopically enriched bromide source support intramolecular transfer of Br. The reaction is postulated to proceed via a Markovnikov hydrocupration of the o-halostyrene, oxidative addition of the resulting Cu(I) complex into the Ar-X bond, reductive elimination of the new sp(3) C-X bond, and final borylation of an Ar-Cu(I) species to turn over the catalytic cycle.

[Near infrared light irradiator using halogen lamp].

Science.gov (United States)

Ide, Yasuo

2012-07-01

The practical electric light bulb was invented by Thomas Alva Edison in 1879. Halogen lamp is the toughest and brightest electric light bulb. With light filter, it is used as a source of near infrared light. Super Lizer and Alphabeam are made as near infrared light irradiator using halogen lamp. The light emmited by Super Lizer is linear polarized near infrared light. The wave length is from 600 to 1,600 nm and strongest at about 1,000 nm. Concerning Super Lizer, there is evidence of analgesic effects and normalization of the sympathetic nervous system. Super Lizer has four types of probes. SG type is used for stellate ganglion irradiation. B type is used for narrow area irradiation. C and D types are for broad area irradiation. The output of Alphabeam is not polarized. The wave length is from 700 to 1,600 nm and the strongest length is about 1,000nm. Standard attachment is used for spot irradiation. Small attachment is used for stellate ganglion irradiation. Wide attachment is used for broad area irradiation. The effects of Alphabeam are thought to be similar to that of Super Lizer.

Bridge Building Potential in Cross-Cultural Learning: A Mixed Method Study

Science.gov (United States)

Rienties, Bart; Johan, Novie; Jindal-Snape, Divya

2015-01-01

Although many international students experience transitional issues, most research assumes that these issues will disappear over time with increased interaction. Using principles of social network theory, this study addressed why some students become bridge builders between international and host students, while others primarily interact with…

Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation

Science.gov (United States)

Ahmad, Sohail; Miró, Pere; Audiffred, Martha; Heine, Thomas

2018-04-01

The deposition, intercalation and co-intercalation of heavy alkali metals and light halogens atoms in graphene mono- and bilayers have been studied using first principles density-functional calculations. Both the deposition and the intercalation of alkali metals gives rise to n-type doping due to the formation of M+-C- pairs. The co-intercalation of a 1:1 ratio of alkali metals and halogens derives into the formation of ionic pairs among the intercalated species, unaltering the electronic structure of the layered material.

The anomalous halogen bonding interactions between chlorine and bromine with water in clathrate hydrates.

Science.gov (United States)

Dureckova, Hana; Woo, Tom K; Udachin, Konstantin A; Ripmeester, John A; Alavi, Saman

2017-10-13

Clathrate hydrate phases of Cl 2 and Br 2 guest molecules have been known for about 200 years. The crystal structure of these phases was recently re-determined with high accuracy by single crystal X-ray diffraction. In these structures, the water oxygen-halogen atom distances are determined to be shorter than the sum of the van der Waals radii, which indicates the action of some type of non-covalent interaction between the dihalogens and water molecules. Given that in the hydrate phases both lone pairs of each water oxygen atom are engaged in hydrogen bonding with other water molecules of the lattice, the nature of the oxygen-halogen interactions may not be the standard halogen bonds characterized recently in the solid state materials and enzyme-substrate compounds. The nature of the halogen-water interactions for the Cl 2 and Br 2 molecules in two isolated clathrate hydrate cages has recently been studied with ab initio calculations and Natural Bond Order analysis (Ochoa-Resendiz et al. J. Chem. Phys. 2016, 145, 161104). Here we present the results of ab initio calculations and natural localized molecular orbital analysis for Cl 2 and Br 2 guests in all cage types observed in the cubic structure I and tetragonal structure I clathrate hydrates to characterize the orbital interactions between the dihalogen guests and water. Calculations with isolated cages and cages with one shell of coordinating molecules are considered. The computational analysis is used to understand the nature of the halogen bonding in these materials and to interpret the guest positions in the hydrate cages obtained from the X-ray crystal structures.

Molecular Engineering of Non-Halogenated Solution-Processable Bithiazole based Electron Transport Polymeric Semiconductors

KAUST Repository

Fu, Boyi

2015-04-01

The electron deficiency and trans planar conformation of bithiazole is potentially beneficial for the electron transport performance of organic semiconductors. However, the incorporation of bithiazole into polymers through a facile synthetic strategy remains a challenge. Herein, 2,2’-bithiazole was synthesized in one step and copolymerized with dithienyldiketopyrrolopyrrole to afford poly(dithienyldiketopyrrolopyrrole-bithiazole), PDBTz. PDBTz exhibited electron mobility reaching 0.3 cm2V-1s-1 in organic field-effect transistor (OFET) configuration; this contrasts with a recently discussed isoelectronic conjugated polymer comprising an electron rich bithiophene and dithienyldiketopyrrolopyrrole, which displays merely hole transport characteristics. This inversion of charge carrier transport characteristics confirms the significant potential for bithiazole in the development of electron transport semiconducting materials. Branched 5-decylheptacyl side chains were incorporated into PDBTz to enhance polymer solubility, particularly in non-halogenated, more environmentally compatible solvents. PDBTz cast from a range of non-halogenated solvents exhibited film morphologies and field-effect electron mobility similar to those cast from halogenated solvents.

Molecular Engineering of Non-Halogenated Solution-Processable Bithiazole based Electron Transport Polymeric Semiconductors

KAUST Repository

Fu, Boyi; Wang, Cheng-Yin; Rose, Bradley Daniel; Jiang, Yundi; Chang, Mincheol; Chu, Ping-Hsun; Yuan, Zhibo; Fuentes-Hernandez, Canek; Bernard, Kippelen; Bredas, Jean-Luc; Collard, David M.; Reichmanis, Elsa

2015-01-01

The electron deficiency and trans planar conformation of bithiazole is potentially beneficial for the electron transport performance of organic semiconductors. However, the incorporation of bithiazole into polymers through a facile synthetic strategy remains a challenge. Herein, 2,2’-bithiazole was synthesized in one step and copolymerized with dithienyldiketopyrrolopyrrole to afford poly(dithienyldiketopyrrolopyrrole-bithiazole), PDBTz. PDBTz exhibited electron mobility reaching 0.3 cm2V-1s-1 in organic field-effect transistor (OFET) configuration; this contrasts with a recently discussed isoelectronic conjugated polymer comprising an electron rich bithiophene and dithienyldiketopyrrolopyrrole, which displays merely hole transport characteristics. This inversion of charge carrier transport characteristics confirms the significant potential for bithiazole in the development of electron transport semiconducting materials. Branched 5-decylheptacyl side chains were incorporated into PDBTz to enhance polymer solubility, particularly in non-halogenated, more environmentally compatible solvents. PDBTz cast from a range of non-halogenated solvents exhibited film morphologies and field-effect electron mobility similar to those cast from halogenated solvents.

Mercury and halogens in coal: Chapter 2

Science.gov (United States)

Kolker, Allan; Quick, Jeffrey C.; Granite, Evan J.; Pennline, Henry W.; Senior, Constance L.

2014-01-01

Apart from mercury itself, coal rank and halogen content are among the most important factors inherent in coal that determine the proportion of mercury captured by conventional controls during coal combustion. This chapter reviews how mercury in coal occurs, gives available concentration data for mercury in U.S. and international commercial coals, and provides an overview of the natural variation in halogens that influence mercury capture. Three databases, the U.S. Geological Survey coal quality (USGS COALQUAL) database for in-ground coals, and the 1999 and 2010 U.S. Environmental Protection Agency (EPA) Information Collection Request (ICR) databases for coals delivered to power stations, provide extensive results for mercury and other parameters that are compared in this chapter. In addition to the United States, detailed characterization of mercury is available on a nationwide basis for China, whose mean values in recent compilations are very similar to the United States in-ground mean of 0.17 ppm mercury. Available data for the next five largest producers (India, Australia, South Africa, the Russian Federation, and Indonesia) are more limited and with the possible exceptions of Australia and the Russian Federation, do not allow nationwide means for mercury in coal to be calculated. Chlorine in coal varies as a function of rank and correspondingly, depth of burial. As discussed elsewhere in this volume, on a proportional basis, bromine is more effective than chlorine in promoting mercury oxidation in flue gas and capture by conventional controls. The ratio of bromine to chlorine in coal is indicative of the proportion of halogens present in formation waters within a coal basin. This ratio is relatively constant except in coals that have interacted with deep-basin brines that have reached halite saturation, enriching residual fluids in bromine. Results presented here help optimize mercury capture by conventional controls and provide a starting point for

Halogenated hydrocarbons - an environmental problem

Energy Technology Data Exchange (ETDEWEB)

Schoeler, H F; Thofern, E

1984-01-01

The paper provides a survey of the incidence of highly volatile halogenated hydrocarbons in ground, surface and drinking water as well as in the snows of Western Germany. Almost the entire production of chlorinated solvents is released into the environment. The absorption media are mostly soil, water and atmosphere. Whereas in the atmosphere elimination reactions take place, solvents that have passed the soil get into the ground water owing to their persistence and can cause considerable pollutions of drinking water. Moreover haloforms may occur in drinking water, which are produced during chlorine disinfection of pre-treated water.

First-principles study of the effects of halogen dopants on the properties of intergranular films in silicon nitride ceramics

International Nuclear Information System (INIS)

Painter, Gayle S.; Becher, Paul F.; Kleebe, H.-J.; Pezzotti, G.

2002-01-01

The nanoscale intergranular films that form in the sintering of ceramics often occur as adherent glassy phases separating the crystalline grains in the ceramic. Consequently, the properties of these films are often equal in importance to those of the constituent grains in determining the ceramic's properties. The measured characteristics of the silica-rich phase separating the crystalline grains in Si 3 N 4 and many other ceramics are so reproducible that SiO 2 has become a model system for studies of intergranular films (IGF's). Recently, the influence of fluorine and chlorine dopants in SiO 2 -rich IGF's in silicon nitride was precisely documented by experiment. Along with the expected similarities between the halogens, some dramatically contrasting effects were found. But the atomic-scale mechanisms distinguishing the effects F and Cl on IGF behavior have not been well understood. First-principles density functional calculations reported here provide a quantum-level description of how these dopant-host interactions affect the properties of IGF's, with specific modeling of F and Cl in the silica-rich IGF in silicon nitride. Calculations were carried out for the energetics, structural changes, and forces on the atoms making up a model cluster fragment of an SiO 2 intergranular film segment in silicon nitride with and without dopants. Results show that both anions participate in the breaking of bonds within the IGF, directly reducing the viscosity of the SiO 2 -rich film and promoting decohesion. Observed differences in the way fluorine and chlorine affect IGF behavior become understandable in terms of the relative stabilities of the halogens as they interact with Si atoms that have lost one if their oxygen bridges

Martian fluid and Martian weathering signatures identified in Nakhla, NWA 998 and MIL 03346 by halogen and noble gas analysis

Science.gov (United States)

Cartwright, J. A.; Gilmour, J. D.; Burgess, R.

2013-03-01

We report argon (Ar) noble gas, Ar-Ar ages and halogen abundances (Cl, Br, I) of Martian nakhlites Nakhla, NWA 998 and MIL 03346 to determine the presence of Martian hydrous fluids and weathering products. Neutron-irradiated samples were either crushed and step-heated (Nakhla only), or simply step-heated using a laser or furnace, and analysed for noble gases using an extension of the 40Ar-39Ar technique to determine halogen abundances. The data obtained provide the first isotopic evidence for a trapped fluid that is Cl-rich, has a strong correlation with 40ArXS (40ArXS = 40Armeasured - 40Arradiogenic) and displays 40ArXS/36Ar of ˜1000 - consistent with the Martian atmosphere. This component was released predominantly in the low temperature and crush experiments, which may suggest a fluid inclusion host. For the halogens, we observe similar Br/Cl and I/Cl ratios between the nakhlites and terrestrial reservoirs, which is surprising given the absence of crustal recycling, organic matter and frequent fluid activity on Mars. In particular, Br/Cl ratios in our Nakhla samples (especially olivine) are consistent with previously analysed Martian weathering products, and both low temperature and crush analyses show a similar trend to the evaporation of seawater. This may indicate that surface brines play an important role on Mars and on halogen assemblages within Martian meteorites and rocks. Elevated I/Cl ratios in the low temperature NWA 998 and MIL 03346 releases may relate to in situ terrestrial contamination, though we are unable to distinguish between low temperature terrestrial or Martian components. Whilst estimates of the amount of water present based on the 36Ar concentrations are too high to be explained by a fluid component alone, they are consistent with a mixed-phase inclusion (gas and fluid) or with shock-implanted Martian atmospheric argon. The observed fluid is dilute (low salinity, but high Br/Cl and I/Cl ratios), contains a Martian atmospheric component

CF60 Concrete Composition Design and Application on Fudiankou Xijiang Super Large Bridge

Science.gov (United States)

Qiu, Yi Mei; Wen, Sen Yuan; Chen, Jun Xiang

2018-06-01

Guangxi Wuzhou City Ring Road Fudiankou Xijiang super large bridge CF60 concrete is a new multi-phase composite high-performance concrete, this paper for the Fudiankou Xijiang bridge structure and characteristics of the project, in accordance with the principle of local materials and technical specification requirements, combined with the site conditions of CF60 engineering high performance concrete component materials, proportion and the technical performance, quantify the main physical and mechanical performance index. Analysis main influencing factors of the technical indicators, reasonable adjustment of concrete mix design parameters, and the use of technical means of admixture and multi-function composite admixture of concrete, obtain the optimal proportion of good work, process, mechanical properties stability and durability of engineering properties, recommend and verification of concrete mix; to explore the CF60 high performance concrete Soil in the Fudiankou Xijiang bridge application technology, detection and tracking the quality of concrete construction, concrete structure during the construction of the key technology and control points is proposed, evaluation of CF60 high performance concrete in the actual engineering application effect and benefit to ensure engineering quality of bridge structure and service life, and super long span bridge engineering construction to provide basis and reference.

Characterization of halogenated DBPs and identification of new DBPs trihalomethanols in chlorine dioxide treated drinking water with multiple extractions.

Science.gov (United States)

Han, Jiarui; Zhang, Xiangru; Liu, Jiaqi; Zhu, Xiaohu; Gong, Tingting

2017-08-01

Chlorine dioxide (ClO 2 ) is a widely used alternative disinfectant due to its high biocidal efficiency and low-level formation of trihalomethanes and haloacetic acids. A major portion of total organic halogen (TOX), a collective parameter for all halogenated DBPs, formed in ClO 2 -treated drinking water is still unknown. A commonly used pretreatment method for analyzing halogenated DBPs in drinking water is one-time liquid-liquid extraction (LLE), which may lead to a substantial loss of DBPs prior to analysis. In this study, characterization and identification of polar halogenated DBPs in a ClO 2 -treated drinking water sample were conducted by pretreating the sample with multiple extractions. Compared to one-time LLE, the combined four-time LLEs improved the recovery of TOX by 2.3 times. The developmental toxicity of the drinking water sample pretreated with the combined four-time LLEs was 1.67 times higher than that pretreated with one-time LLE. With the aid of ultra-performance liquid chromatography/electrospray ionization-triple quadrupole mass spectrometry, a new group of polar halogenated DBPs, trihalomethanols, were detected in the drinking water sample pretreated with multiple extractions; two of them, trichloromethanol and bromodichloromethanol, were identified with synthesized standard compounds. Moreover, these trihalomethanols were found to be the transformation products of trihalomethanes formed during ClO 2 disinfection. The results indicate that multiple LLEs can significantly improve extraction efficiencies of polar halogenated DBPs and is a better pretreatment method for characterizing and identifying new polar halogenated DBPs in drinking water. Copyright © 2017. Published by Elsevier B.V.

40 CFR 63.2465 - What requirements must I meet for process vents that emit hydrogen halide and halogen HAP or HAP...

Science.gov (United States)

2010-07-01

... process vents that emit hydrogen halide and halogen HAP or HAP metals? 63.2465 Section 63.2465 Protection... and halogen HAP or HAP metals? (a) You must meet each emission limit in Table 3 to this subpart that... section. (b) If any process vents within a process emit hydrogen halide and halogen HAP, you must...

Crystal structure and spin state of mixed-crystals of iron with zinc and cobalt for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

Energy Technology Data Exchange (ETDEWEB)

Dote, Haruka [Hiroshima University, Graduate School of Science (Japan); Nakashima, Satoru, E-mail: snaka@hiroshima-u.ac.jp [Hiroshima University, Natural Science Center for Basic Research and Development (Japan)

2012-03-15

Mixed crystals of cobalt and zinc were synthesized using 1,3-bis(4-pyridyl)propane (bpp) as bridging ligand and NCS{sup - } as anion. Red crystals and blue crystals were obtained. Powder X-ray diffraction patterns showed that the former is in 2D interpenetrated structure, while the latter has the same structure with Zn(NCS){sub 2}(bpp). Iron ion was introduced both into the red crystals and blue crystals of the mixed crystals of cobalt with zinc. {sup 57}Fe Moessbauer spectrum of the red crystals showed a main doublet of Fe{sup II} high-spin state at 78 K, while the spectrum of blue crystals did not show Fe{sup II} high-spin state at 78 K.

Crystal structure and spin state of mixed-crystals of iron with zinc and cobalt for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

International Nuclear Information System (INIS)

Dote, Haruka; Nakashima, Satoru

2012-01-01

Mixed crystals of cobalt and zinc were synthesized using 1,3–bis(4–pyridyl)propane (bpp) as bridging ligand and NCS  −  as anion. Red crystals and blue crystals were obtained. Powder X-ray diffraction patterns showed that the former is in 2D interpenetrated structure, while the latter has the same structure with Zn(NCS) 2 (bpp). Iron ion was introduced both into the red crystals and blue crystals of the mixed crystals of cobalt with zinc. 57 Fe Mössbauer spectrum of the red crystals showed a main doublet of Fe II high-spin state at 78 K, while the spectrum of blue crystals did not show Fe II high-spin state at 78 K.

47 CFR 80.1007 - Bridge-to-bridge radiotelephone installation.

Science.gov (United States)

2010-10-01

... 47 Telecommunication 5 2010-10-01 2010-10-01 false Bridge-to-bridge radiotelephone installation. 80.1007 Section 80.1007 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND... Bridge-to-Bridge Act § 80.1007 Bridge-to-bridge radiotelephone installation. Use of the bridge-to-bridge...

Towards Acid-Tolerated Ethanol Dehydration: Chitosan-Based Mixed Matrix Membranes Containing Cyano-Bridged Coordination Polymer Nanoparticles.

Science.gov (United States)

Wu, C-W; Kang, Chao-Hsiang; Lin, Yi-Feng; Tung, Kuo-Lun; Deng, Yu-Heng; Ahamad, Tansir; Alshehri, Saad M; Suzuki, Norihiro; Yamauchi, Yusuke

2016-04-01

Prussian blue (PB) nanoparticles, one of many cyano-bridged coordination polymers, are successfully incorporated into chitosan (CS) polymer to prepare PB/CS mixed matrix membranes (MMMs). The PB nanoparticles are uniformly distributed in the MMMs without the collapse of the original PB structure. As-prepared PB/CS MMMs are used for ethanol dehydration at 25 °C in the pervaporation process. The effect of loading PB in CS matrix on pervaporation performance is carefully investigated. The PB/CS membrane with 30 wt% PB loading shows the best performance with a permeate flux of 614 g. m-2 . h-1 and a separation factor of 1472. The pervaporation using our PB/CS membranes exhibits outstanding performance in comparison with the previously reported CS-based membranes and MMMs. Furthermore, the addition of PB allows PB/CS MMMs to be tolerant of acidic environment. The present work demonstrates good pervaporation performance of PB/CS MMMs for the separation of an ethanol/water (90:10 in wt%) solution. Our new system provides an opportunity for dehydration of bioethanol in the future.

Compound deterioration properties of non-halogen flame-resisting cables

International Nuclear Information System (INIS)

Yamamoto, Yasuaki; Yagyu, Hideki; Onishi, Takao; Kamiharako, Shinji

1984-01-01

Conventional flame-resisting cables release harmful gas such as hydrogen chloride and smoke on burning. To improve this disadvantage, the cables for nuclear power plants using new non-halogen flame-resisting insulating material have been developed. In this experiment, the non-halogen flame-resisting cables were subjected to the environmental test with varying test conditions. The test conditions included the order of exposure (heat treatment, γ-ray irradiation and steam exposure) and dose rate. After the environmental test, the mechanical and electrical properties of the samples were measured. In all test conditions, the samples did not crack in bending, and withstood the bending and withstand-voltage in-water test. The tensile strength and a.c. breakdown voltage did not change, and were stable. The elongation decreased greatly, but maintained the value of about 100 %, and the volumetric resistivity decreased by only one figure. It was confirmed that these cables were able to withstand various environmental tests. (Yoshitake, I.)

Determination of halogen content in glass for assessment of melter decontamination factors

International Nuclear Information System (INIS)

Goles, R.W.

1996-03-01

Melter decontamination factor (DF) values for the halogens (fluorine, chlorine, and iodine) are important to the Hanford Waste Vitrification Plant (HWVP) process because of the potential influence of DF on secondary-waste recycle strategies (fluorine and chlorine) as well as its impact on off-gas emissions (iodine). This study directly establishes the concentrations of halides-in HWVP simulated reference glasses rather than relying on indirect off-gas data. For fluorine and chlorine, pyrohydrolysis coupled with halide (ion chromatographic) detection has proven to be a useful analytical approach suitable for glass matrices, sensitive enough for the range of halogens encountered, and compatible with remote process support applications. Results obtained from pyrohydrolytic analysis of pilot-scale ceramic melter (PSCM) -22 and -23 glasses indicate that the processing behavior of fluorine and chlorine is quite variable even under similar processing conditions. Specifically, PSCM-23 glass exhibited a ∼90% halogen (F and Cl) retention efficiency, while only 20% was incorporated in PSCM-22 glass. These two sets of very dissimilar test results clearly do not form a sufficient basis for establishing design DF values for fluorine and chlorine. Because the present data do not provide any new halogen volatility information, but instead reconfirm the validity of previously obtained offgas derived values, melter DF values of 4, 2, and 1 for fluorine, chlorine, and iodine, respectively, are recommended for adoption; these values were conservatively established by a team of responsible engineers at Westinghouse Hanford Company (WHC) and Pacific Northwest Laboratory (PNL) on the basis of average behavior for many comparable melter tests. In the absence of further HWVP process data, these average melter DFs are the best values currently available

Composes inter-halogenes sous pression: etude des transformations structurales dans le monobromure d'iode sous forme dense

Science.gov (United States)

Bouchard, Alexandre

La famille des composes halogenes et inter-halogenes representent des solides moleculaires adoptant des phases denses communes avec des solides moleculaires diatomiques comme l'azote et l'hydrogene. Parmi les transformations structurales et electroniques induites sous haute pression et observees dans ces solides, on note, entre autres, la dissociation moleculaire et la metallisation. De plus, l'etude des phases denses de l'iode a permis recemment l'observation d'une structure cristalline possedant une modulation dite incommensurable, c'est-a-dire une modulation possedant une periodicite differente de celle de la structure cristalline, jetant ainsi une lumiere nouvelle sur le processus de dissociation moleculaire dans les solides halogenes. Dans ce memoire, on propose d'etudier les changements structuraux dans monobromure d'iode (IBr), un compose inter-halogene possedant des proprietes structurales semblables a celles de deux composes halogenes, soit l'iode (I 2) et le brome (Br2) sous leur forme solide. Des experiences de diffraction des rayons X de poudres en utilisant un rayonnement synchrotron ont ete realisees a temperature ambiante sur l'IBr en variant la pression jusqu'aux environs de 60 GPa. La nature chimique particuliere du compose IBr a necessite la mise au point de techniques de chargement d'echantillon destinees a preserver l'integrite chimique de la substance utilisee. On rapporte egalement l'observation d'une phase de l'IBr presentant une modulation incommensurable. Les phases observees dans l'IBr permettent d'etablir des paralleles avec les phases denses rapportees dans I2 et Br2 par le biais d'un modele phenomenologique decrivant la sequence structurale des solides halogenes sous forme condensee.

Development of an enzymatic fiber-optic biosensor for detection of halogenated hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Bidmanova, Sarka; Chaloupkova, Radka; Damborsky, Jiri; Prokop, Zbynek [Masaryk University, Loschmidt Laboratories, Department of Experimental Biology and Research Centre for Toxic Compounds in the Environment, Faculty of Science, Brno (Czech Republic)

2010-11-15

An enzyme-based biosensor was developed by co-immobilization of purified enzyme haloalkane dehalogenase (EC 3.8.1.5) and a fluorescence pH indicator on the tip of an optical fiber. Haloalkane dehalogenase catalyzes hydrolytic dehalogenation of halogenated aliphatic hydrocarbons, which is accompanied by a pH change influencing the fluorescence of the indicator. The pH sensitivity of several fluorescent dyes was evaluated. The selected indicator 5(6)-carboxyfluorescein was conjugated with bovine serum albumin and its reaction was tested under different immobilization conditions. The biosensor was prepared by cross-linking of the conjugate in tandem with haloalkane dehalogenase using glutaraldehyde vapor. The biosensor, stored for 24 h in 50 mM phosphate buffer (pH 7.5) prior to measurement, was used after 15 min of equilibration, the halogenated compound was added, and the response was monitored for 30 min. Calibration of the biosensor with 1,2-dibromoethane and 3-chloro-2-(chloromethyl)-1-propene showed an excellent linear dependence, with detection limits of 0.133 and 0.014 mM, respectively. This biosensor provides a new tool for continuous in situ monitoring of halogenated environmental pollutants. (orig.)

Application of super workable concrete to main tower of cable-stayed prestressed concrete bridge. ; Kiba park grand bridge. PC shachokyo no shuto eno tekiyo. ; Kiba koen ohashi

Energy Technology Data Exchange (ETDEWEB)

Matsuoka, Y.; Shindo, T.; Sakamoto, A. (Taisei Corp., Tokyo (Japan))

1993-08-01

The Kiba Park Grand Bridge is a cable-stayed prestressed concrete (PC) bridge with a length of 186m. The main tower of this PC cable-stayed bridge consists of a pair of vertical columns with height of 60m and a beam connecting the columns. For the purpose of the advanced efficiency of construction without formwork and removal work and the improvement of durability, the precast buried formwork made of polymer impregnated concrete formwork was adopted. Approximate 650 cubic meter of super workable concrete was placed for the upper part ranging from 7th to 17th blocks of vertical columns and the beam. Blast furnace cement B and fly ash were used as binder. Naphthalenesulfonic acid type high performance water reducing agent and lignosulfonic acid type AE (air-entraining) water reducing agent were used as admixtures. Super workable concrete was mixed using forced double-axle mixers in the ready-mixed concrete plant. Satisfactory quality of the fresh concrete and strength of the hardened concrete were obtained. 2 refs., 11 figs., 3 tabs.

Quantum Chemical Examination of the Sequential Halogen Incorporation Scheme for the Modeling of Speciation of I/Br/Cl-Containing Trihalomethanes.

Science.gov (United States)

Zhang, Chenyang; Li, Maodong; Han, Xuze; Yan, Mingquan

2018-02-20

The recently developed three-step ternary halogenation model interprets the incorporation of chlorine, bromine, and iodine ions into natural organic matter (NOM) and formation of iodine-, bromine-, and chlorine-containing trihalomethanes (THMs) based on the competition of iodine, bromine, and chlorine species at each node of the halogenation sequence. This competition is accounted for using the dimensionless ratios (denoted as γ) of kinetic rates of reactions of the initial attack sites or halogenated intermediates with chlorine, bromine, and iodine ions. However, correlations between the model predictions made and mechanistic aspects of the incorporation of halogen species need to be ascertained in more detail. In this study, quantum chemistry calculations were first used to probe the formation mechanism of 10 species of Cl-/Br-/I- THMs. The HOMO energy (E HOMO ) of each mono-, bi-, or trihalomethanes were calculated by B3LYP method in Gaussian 09 software. Linear correlations were found to exist between the logarithms of experimentally determined kinetic preference coefficients γ reported in prior research and, on the other hand, differences of E HOMO values between brominated/iodinated and chlorinated halomethanes. One notable exception from this trend was that observed for the incorporation of iodine into mono- and di-iodinated intermediates. These observations confirm the three-step halogen incorporation sequence and the factor γ in the statistical model. The combined use of quantum chemistry calculations and the ternary sequential halogenation model provides a new insight into the microscopic nature of NOM-halogen interactions and the trends seen in the behavior of γ factors incorporated in the THM speciation models.

40 CFR Table 3 to Subpart Ffff of... - Emission Limits for Hydrogen Halide and Halogen HAP Emissions or HAP Metals Emissions From...

Science.gov (United States)

2010-07-01

... Halogen HAP Emissions or HAP Metals Emissions From Process Vents 3 Table 3 to Subpart FFFF of Part 63... to Subpart FFFF of Part 63—Emission Limits for Hydrogen Halide and Halogen HAP Emissions or HAP... following table that applies to your process vents that contain hydrogen halide and halogen HAP emissions or...

Protection of halogenated DNA from strand breakage and sister-chromatid exchange induced by the topoisomerase I inhibitor camptothecin

International Nuclear Information System (INIS)

Orta, Manuel Luis; Mateos, Santiago; Cantero, Gloria; Wolff, Lisa J.; Cortes, Felipe

2008-01-01

The fundamental nuclear enzyme DNA topoisomerase I (topo I), cleaves the double-stranded DNA molecule at preferred sequences within its recognition/binding sites. We have recently reported that when cells incorporate halogenated nucleosides analogues of thymidine into DNA, it interferes with normal chromosome segregation, as shown by an extraordinarily high yield of endoreduplication, and results in a protection against DNA breakage induced by the topo II poison m-AMSA [F. Cortes, N. Pastor, S. Mateos, I. Dominguez, The nature of DNA plays a role in chromosome segregation: endoreduplication in halogen-substituted chromosomes, DNA Repair 2 (2003) 719-726; G. Cantero, S. Mateos, N. Pastor; F. Cortes, Halogen substitution of DNA protects from poisoning of topoisomerase II that results in DNA double-strand breaks (DSBs), DNA Repair 5 (2006) 667-674]. In the present investigation, we have assessed whether the presence of halogenated nucleosides in DNA diminishes the frequency of interaction of topo I with DNA and thus the frequency with which the stabilisation of cleavage complexes by the topo I poison camptothecin (CPT) takes place, in such a way that it protects from chromosome breakage and sister-chromatid exchange. This protective effect is shown to parallel a loss in halogen-substituted cells of the otherwise CPT-increased catalytic activity bound to DNA

Pharmacological evaluation of halogenated and non-halogenated arylpiperazin-1-yl-ethyl-benzimidazoles as D(2) and 5-HT(2A) receptor ligands.

Science.gov (United States)

Tomić, Mirko; Vasković, Djurdjica; Tovilović, Gordana; Andrić, Deana; Penjišević, Jelena; Kostić-Rajačić, Sladjana

2011-05-01

Five groups of previously synthesized and initially screened non-substituted and 4-halogenated arylpiperazin-1-yl-ethyl-benzimidazoles were estimated for their in-vitro binding affinities at the rat D(2) , 5-HT(2A) , and α(1) -adrenergic receptors. Among all these compounds, 2-methoxyphenyl and 2-chlorophenyl piperazines demonstrate the highest affinities for the tested receptors. The effects of 4-halogenation of benzimidazoles reveal that substitution with bromine may greatly increase the affinity of the compounds for the studied receptors, while the effect of substitution with chlorine is less remarkable. Most of the tested components show 5-HT(2A)/D(2) pK(i) binding ratios slightly above or less than 1, while only 4-chloro-6-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-benzimidazole expresses an appropriate higher binding ratio (1.14), which was indicated for atypical neuroleptics. This compound exhibits a non-cataleptic action in rats and prevents d-amphetamine-induced hyperlocomotion in mice, which suggest its atypical antipsychotic potency. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chromatographic resolution of closely related species in pharmaceutical chemistry: dehalogenation impurities and mixtures of halogen isomers.

Science.gov (United States)

Regalado, Erik L; Zhuang, Ping; Chen, Yadan; Makarov, Alexey A; Schafer, Wes A; McGachy, Neil; Welch, Christopher J

2014-01-07

In recent years, the use of halogen-containing molecules has proliferated in the pharmaceutical industry, where the incorporation of halogens, especially fluorine, has become vitally important for blocking metabolism and enhancing the biological activity of pharmaceuticals. The chromatographic separation of halogen-containing pharmaceuticals from associated isomers or dehalogenation impurities can sometimes be quite difficult. In an attempt to identify the best current tools available for addressing this important problem, a survey of the suitability of four chromatographic method development platforms (ultra high-performance liquid chromatography (UHPLC), core shell HPLC, achiral supercritical fluid chromatography (SFC) and chiral SFC) for separating closely related mixtures of halogen-containing pharmaceuticals and their dehalogenated isosteres is described. Of the 132 column and mobile phase combinations examined for each mixture, a small subset of conditions were found to afford the best overall performance, with a single UHPLC method (2.1 × 50 mm, 1.9 μm Hypersil Gold PFP, acetonitrile/methanol based aqueous eluents containing either phosphoric or perchloric acid with 150 mM sodium perchlorate) affording excellent separation for all samples. Similarly, a survey of several families of closely related halogen-containing small molecules representing the diversity of impurities that can sometimes be found in purchased starting materials for synthesis revealed chiral SFC (Chiralcel OJ-3 and Chiralpak IB, isopropanol or ethanol with 25 mM isobutylamine/carbon dioxide) as well as the UHPLC (2.1 × 50 mm, 1.8 μm ZORBAX RRHD Eclipse Plus C18 and the Gold PFP, acetonitrile/methanol based aqueous eluents containing phosphoric acid) as preferred methods.

47 CFR 80.331 - Bridge-to-bridge communication procedure.

Science.gov (United States)

2010-10-01

... 47 Telecommunication 5 2010-10-01 2010-10-01 false Bridge-to-bridge communication procedure. 80..., Alarm, Urgency and Safety Procedures § 80.331 Bridge-to-bridge communication procedure. (a) Vessels subject to the Bridge-to-Bridge Act transmitting on the designated navigational frequency must conduct...

Four groups of new aromatic halogenated disinfection byproducts: effect of bromide concentration on their formation and speciation in chlorinated drinking water.

Science.gov (United States)

Pan, Yang; Zhang, Xiangru

2013-02-05

Bromide is naturally present in source waters worldwide. Chlorination of drinking water can generate a variety of chlorinated and brominated disinfection byproducts (DBPs). Although substantial efforts have been made to examine the effect of bromide concentration on the formation and speciation of halogenated DBPs, almost all previous studies have focused on trihalomethanes and haloacetic acids. Given that about 50% of total organic halogen formed in chlorination remains unknown, it is still unclear how bromide concentration affects the formation and speciation of the new/unknown halogenated DBPs. In this study, chlorinated drinking water samples with different bromide concentrations were prepared, and a novel approach-precursor ion scan using ultra performance liquid chromatography/electrospray ionization-triple quadrupole mass spectrometry-was adopted for the detection and identification of polar halogenated DBPs in these water samples. With this approach, 11 new putative aromatic halogenated DBPs were identified, and they were classified into four groups: dihalo-4-hydroxybenzaldehydes, dihalo-4-hydroxybenzoic acids, dihalo-salicylic acids, and trihalo-phenols. A mechanism for the formation of the four groups of new aromatic halogenated DBPs was proposed. It was found that increasing the bromide concentration shifted the entire polar halogenated DBPs as well as the four groups of new DBPs from being less brominated to being more brominated; these new aromatic halogenated DBPs might be important intermediate DBPs formed in drinking water chlorination. Moreover, the speciation of the four groups of new DBPs was modeled: the speciation patterns of the four groups of new DBPs well matched those determined from the model equations, and the reactivity differences between HOBr and HOCl in reactions forming the four groups of new DBPs were larger than those in reactions forming trihalomethanes and haloacetic acids.

A Protein Data Bank survey reveals shortening of intermolecular hydrogen bonds in ligand-protein complexes when a halogenated ligand is an H-bond donor.

Science.gov (United States)

Poznański, Jarosław; Poznańska, Anna; Shugar, David

2014-01-01

Halogen bonding in ligand-protein complexes is currently widely exploited, e.g. in drug design or supramolecular chemistry. But little attention has been directed to other effects that may result from replacement of a hydrogen by a strongly electronegative halogen. Analysis of almost 30000 hydrogen bonds between protein and ligand demonstrates that the length of a hydrogen bond depends on the type of donor-acceptor pair. Interestingly, lengths of hydrogen bonds between a protein and a halogenated ligand are visibly shorter than those estimated for the same family of proteins in complexes with non-halogenated ligands. Taking into account the effect of halogenation on hydrogen bonding is thus important when evaluating structural and/or energetic parameters of ligand-protein complexes. All these observations are consistent with the concept that halogenation increases the acidity of the proximal amino/imino/hydroxyl groups and thus makes them better, i.e. stronger, H-bond donors.

UV-visible and resonance Raman spectroscopy of halogen molecules in clathrate hydrates

Energy Technology Data Exchange (ETDEWEB)

Janda, K.C.; Kerenskaya, G.; Goldsheleger, I.U.; Apkarian, V.A.; Fleischer, E.B. [California Univ., Irvine, CA (United States). Dept. of Chemistry

2008-07-01

Resonance Raman spectroscopy was used to study halogen clathrate hydrate solids. In particular, this paper presented an ultraviolet-visible spectra for a polycrystalline sample of chlorine clathrate hydrate and two single crystal samples of bromine clathrate hydrate. UV-visible spectroscopy was used to study the interactions between the halogen guest molecule and the host water lattice. The spectrum for chlorine hydrate had a strong temperature dependence, while the spectra for bromine clathrate hydrate single crystals had a stable cubic type 2 structure as well as a tetragonal structure. A metastable cubic type 1 structure was also observed. Resonance Raman spectroscopy showed how the molecules fit into the host cages. 25 refs., 2 tabs., 7 figs.

Attosecond Time Delay in Photoionization of Noble-Gas and Halogen Atoms

Directory of Open Access Journals (Sweden)

Liang-Wen Pi

2018-02-01

Full Text Available Ultrafast processes are now accessible on the attosecond time scale due to the availability of ultrashort XUV laser pulses. Noble-gas and halogen atoms remain important targets due to their giant dipole resonance and Cooper minimum. Here, we calculate photoionization cross section, asymmetry parameter and Wigner time delay using the time-dependent local-density approximation (TDLDA, which includes the electron correlation effects. Our results are consistent with experimental data and other theoretical calculations. The asymmetry parameter provides an extra layer of access to the phase information of the photoionization processes. We find that halogen atoms bear a strong resemblance on cross section, asymmetry parameter and time delay to their noble-gas neighbors. Our predicted time delay should provide a guidance for future experiments on those atoms and related molecules.

SYNTHESIS AND STUDY OF HALOGENATED BENZYLAMIDES OF SOME ISOCYCLIC AND HETEROCYCLIC ACIDS AS POTENTIAL ANTICONVULSANTS.

Science.gov (United States)

Strupińska, Marzanna; Rostafińska-Suchar, Grażyna; Pirianowicz-Chaber, Elżbieta; Grabczuk, Mateusz; Józwenko, Magdalena; Kowalczyk, Hubert; Szuba, Joanna; Wójcicka, Monika; Chen, Tracy; Mazurek, Aleksander P

2015-01-01

A series of potential anticonvulsants have been synthesized. There are eight fluorobenzylamides and three chlorobenzylamides of isocyclic or heterocyclic acids. Two not halogenated benzylamides were also synthesized to compare the effect of halogenation. The aim of the research performed was to evaluate whether halogenation of the mother structure is able to improve its anticonvulsant activity. The compounds were tested in Anticonvulsant Screening Project (ASP) of Antiepileptic Drug Development Program (ADDP) of NIH. Compound 1 showed MES ED50 = 80.32 mg/kg, PI = 3.16. Compound 7 showed CKM ED50 = 56.72 mg/kg. Compound 8 showed MES ED50 = 34.23 mg/kg and scPTZ ED50 > 300 mg/kg, PI = 8.53.Compound 13 showed 6Hz ED50 = 78.96, PI = 3.37. The results indicate that fluorination does not improve activity, whereas chlorination in our experiment even reduces it.

Computational insights into the photocyclization of diclofenac in solution: effects of halogen and hydrogen bonding.

Science.gov (United States)

Bani-Yaseen, Abdulilah Dawoud

2016-08-21

The effects of noncovalent interactions, namely halogen and hydrogen bonding, on the photochemical conversion of the photosensitizing drug diclofenac (DCF) in solution were investigated computationally. Both explicit and implicit solvent effects were qualitatively and quantitatively assessed employing the DFT/6-31+G(d) and SQM(PM7) levels of theory. Full geometry optimizations were performed in solution for the reactant DCF, hypothesized radical-based intermediates, and the main product at both levels of theories. Notably, in good agreement with previous experimental results concerning the intermolecular halogen bonding of DCF, the SQM(PM7) method revealed different values for d(ClO, Å) and ∠(C-ClO, °) for the two chlorine-substituents of DCF, with values of 2.63 Å/162° and 3.13 Å/142° for the trans and cis orientations, respectively. Employing the DFT/6-31+G(d) method with implicit solvent effects was not conclusive; however, explicit solvent effects confirmed the key contribution of hydrogen and halogen bonding in stabilizing/destabilizing the reactant and hypothesized intermediates. Interestingly, the obtained results revealed that a protic solvent such as water can increase the rate of photocyclization of DCF not only through hydrogen bonding effects, but also through halogen bonding. Furthermore, the atomic charges of atoms majorly involved in the photocyclization of DCF were calculated using different methods, namely Mulliken, Hirshfeld, and natural bond orbital (NBO). The obtained results revealed that in all cases there is a notable nonequivalency in the noncovalent intermolecular interactions of the two chlorine substituents of DCF and the radical intermediates with the solvent, which in turn may account for the discrepancy of their reactivity in different media. These computational results provide insight into the importance of halogen and hydrogen bonding throughout the progression of the photochemical conversion of DCF in solution.

Is there theoretical evidence for mutual influence between halogen

Indian Academy of Sciences (India)

Based on many-body analysis, two and three-body terms of interaction energies have a positive contribution to the total interaction energy. It was found that the amount of charge transfer in the triads is higher than that in the corresponding dyads. AIM analyses showed that the halogen and pnicogen-hydride bonds in the ...

A Protein Data Bank survey reveals shortening of intermolecular hydrogen bonds in ligand-protein complexes when a halogenated ligand is an H-bond donor.

Directory of Open Access Journals (Sweden)

Jarosław Poznański

Full Text Available Halogen bonding in ligand-protein complexes is currently widely exploited, e.g. in drug design or supramolecular chemistry. But little attention has been directed to other effects that may result from replacement of a hydrogen by a strongly electronegative halogen. Analysis of almost 30000 hydrogen bonds between protein and ligand demonstrates that the length of a hydrogen bond depends on the type of donor-acceptor pair. Interestingly, lengths of hydrogen bonds between a protein and a halogenated ligand are visibly shorter than those estimated for the same family of proteins in complexes with non-halogenated ligands. Taking into account the effect of halogenation on hydrogen bonding is thus important when evaluating structural and/or energetic parameters of ligand-protein complexes. All these observations are consistent with the concept that halogenation increases the acidity of the proximal amino/imino/hydroxyl groups and thus makes them better, i.e. stronger, H-bond donors.

Laboratory Investigations of Stratospheric Halogen Chemistry

Science.gov (United States)

Wine, Paul H.; Nicovich, J. Michael; Stickel, Robert E.; Hynes, Anthony J.

1997-01-01

A final report for the NASA-supported project on laboratory investigations of stratospheric halogen chemistry is presented. In recent years, this project has focused on three areas of research: (1) kinetic, mechanistic, and thermochemical studies of reactions which produce weakly bound chemical species of atmospheric interest; (2) development of flash photolysis schemes for studying radical-radical reactions of stratospheric interest; and (3) photochemistry studies of interest for understanding stratospheric chemistry. The first section of this paper contains a discussion of work which has not yet been published. All subsequent chapters contain reprints of published papers that acknowledge support from this grant.

The Halogenated Metabolism of Brown Algae (Phaeophyta, Its Biological Importance and Its Environmental Significance

Directory of Open Access Journals (Sweden)

Stéphane La Barre

2010-03-01

Full Text Available Brown algae represent a major component of littoral and sublittoral zones in temperate and subtropical ecosystems. An essential adaptive feature of this independent eukaryotic lineage is the ability to couple oxidative reactions resulting from exposure to sunlight and air with the halogenations of various substrates, thereby addressing various biotic and abiotic stresses i.e., defense against predators, tissue repair, holdfast adhesion, and protection against reactive species generated by oxidative processes. Whereas marine organisms mainly make use of bromine to increase the biological activity of secondary metabolites, some orders of brown algae such as Laminariales have also developed a striking capability to accumulate and to use iodine in physiological adaptations to stress. We review selected aspects of the halogenated metabolism of macrophytic brown algae in the light of the most recent results, which point toward novel functions for iodide accumulation in kelps and the importance of bromination in cell wall modifications and adhesion properties of brown algal propagules. The importance of halogen speciation processes ranges from microbiology to biogeochemistry, through enzymology, cellular biology and ecotoxicology.

Reactive and organic halogen species in three different European coastal environments

Directory of Open Access Journals (Sweden)

C. Peters

2005-01-01

Full Text Available We present results of three field campaigns using active longpath DOAS (Differential Optical Absorption Spectroscopy for the study of reactive halogen species (RHS BrO, IO, OIO and I2. Two recent field campaigns took place in Spring 2002 in Dagebüll at the German North Sea Coast and in Spring 2003 in Lilia at the French Atlantic Coast of Brittany. In addition, data from a campaign in Mace Head, Ireland in 1998 was partly re-evaluated. During the recent field campaigns volatile halogenated organic compounds (VHOCs were determined by a capillary gas chromatograph coupled with an electron capture detector and an inductively coupled plasma mass spectrometer (GC/ECD-ICPMS in air and water. Due to the inhomogeneous distribution of macroalgae at the German North Sea Coast we found a clear connection between elevated levels of VHOCs and the appearance of macroalgae. Extraordinarily high concentrations of several VHOCs, especially CH3I and CH3Br of up to 1830 pptv and 875 pptv, respectively, were observed at the coast of Brittany, demonstrating the outstanding level of bioactivity there. We found CH2I2 at levels of up to 20 pptv, and a clear anti-correlation with the appearance of IO. The IO mixing ratio reached up to 7.7±0.5 ppt(pmol/mol during the day, in reasonable agreement with model studies designed to represent the meteorological and chemical conditions in Brittany. For the two recent campaigns the DOAS spectra were evaluated for BrO, OIO and I2, but none of these species could be clearly identified (average detection limits around 2 ppt, 3 ppt, 20 ppt, resp., significantly higher in individual cases. Only in the Mace Head spectra evidence was found for the presence of OIO. Since macroalgae under oxidative stress are suggested to be a further source for I2 in the marine boundary layer, we re-analyzed spectra in the 500–600 nm range taken during the 1998 PARFORCE campaign in Mace Head, Ireland, which had not previously been analyzed for I2. We

High energy halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1980-February 14, 1981

International Nuclear Information System (INIS)

1981-02-01

The stereochemistry of high energy 18 F, /sup 34m/Cl, and 76 Br substitution reactions involving enantiomeric molecules in the gas and condensed phase is studied. The gas to condensed state transition in halogen high energy chemistry, involving chlorine, bromine, and iodine activated by the (n,γ) and (I.T.) processes in halomethanes, saturated and unsaturated hydrocarbons is being investigated in more detail. Special attention is given to defining the nature of the enhancement yields in the condensed phase. High energy halogen reactions in liquid and frozen aqueous solutions of organic and biomolecular solutes are studied in an attempt to learn more about these reactions. The applications of high energy chemistry techniques and theory to neutron activation analysis of biological systems are being continued. Special attention is given to developing procedures for trace molecular determinations in biological systems. The applications of hot halogen atoms as indicators of solute-solute interactions in liquid and frozen aqueous solutions of halogenated bases and nucleosides are being developed. Experiments are designed to explain the mechanisms of the radioprotection offered biomolecular solutes trapped within the frozen ice lattice. Reactions of bromine and iodine activated by isomeric transition with halogenated biomolecular solutes in liquid and frozen aqueous solutions are studied. The high energy reactions of iodine with the isomers of pentene have been studied in low pressure gaseous systems employing additives and rare gas moderators and liquid systems. Reactivity of excited complex formation and structural effects of electrophilic iodine attack on the pi-bond systems are studied

High energy halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1980-February 14, 1981

Energy Technology Data Exchange (ETDEWEB)

1981-02-01

The stereochemistry of high energy /sup 18/F, /sup 34m/Cl, and /sup 76/Br substitution reactions involving enantiomeric molecules in the gas and condensed phase is studied. The gas to condensed state transition in halogen high energy chemistry, involving chlorine, bromine, and iodine activated by the (n,..gamma..) and (I.T.) processes in halomethanes, saturated and unsaturated hydrocarbons is being investigated in more detail. Special attention is given to defining the nature of the enhancement yields in the condensed phase. High energy halogen reactions in liquid and frozen aqueous solutions of organic and biomolecular solutes are studied in an attempt to learn more about these reactions. The applications of high energy chemistry techniques and theory to neutron activation analysis of biological systems are being continued. Special attention is given to developing procedures for trace molecular determinations in biological systems. The applications of hot halogen atoms as indicators of solute-solute interactions in liquid and frozen aqueous solutions of halogenated bases and nucleosides are being developed. Experiments are designed to explain the mechanisms of the radioprotection offered biomolecular solutes trapped within the frozen ice lattice. Reactions of bromine and iodine activated by isomeric transition with halogenated biomolecular solutes in liquid and frozen aqueous solutions are studied. The high energy reactions of iodine with the isomers of pentene have been studied in low pressure gaseous systems employing additives and rare gas moderators and liquid systems. Reactivity of excited complex formation and structural effects of electrophilic iodine attack on the pi-bond systems are studied.

The MIXED framework: A novel approach to evaluating mixed-methods rigor.

Science.gov (United States)

Eckhardt, Ann L; DeVon, Holli A

2017-10-01

Evaluation of rigor in mixed-methods (MM) research is a persistent challenge due to the combination of inconsistent philosophical paradigms, the use of multiple research methods which require different skill sets, and the need to combine research at different points in the research process. Researchers have proposed a variety of ways to thoroughly evaluate MM research, but each method fails to provide a framework that is useful for the consumer of research. In contrast, the MIXED framework is meant to bridge the gap between an academic exercise and practical assessment of a published work. The MIXED framework (methods, inference, expertise, evaluation, and design) borrows from previously published frameworks to create a useful tool for the evaluation of a published study. The MIXED framework uses an experimental eight-item scale that allows for comprehensive integrated assessment of MM rigor in published manuscripts. Mixed methods are becoming increasingly prevalent in nursing and healthcare research requiring researchers and consumers to address issues unique to MM such as evaluation of rigor. © 2017 John Wiley & Sons Ltd.

Neutron activation analysis for study of distribution patterns of organo-halogen pollutants in apple

International Nuclear Information System (INIS)

Zhang Hong; Luo Jialing; Sun Huibin; Chai Zhifang; Chinese Academy of Sciences, Beijing

2007-01-01

The distribution characteristics of organo-halogens in apple and their sources were studied by neutron activation analysis combined with statistical analysis. The results indicated that concentrations of organo-halogens in apple were in the order of organo-chlorine >> organo-bromine > organo-iodine, and concentrations of the organo-chlorine in four parts of apple were in the order of seed >> peel >> endocarp ≥ pulp. Also, the organo-chlorine, -bromine and-iodine in apple were found to have different sources. The latter two were mainly from naturally synthetic products by plant itself, while the former was mainly from anthropogenic pollutants. (authors)

Halogen effect for improving high temperature oxidation resistance of Ti-50Al by anodization

Science.gov (United States)

Mo, Min-Hua; Wu, Lian-Kui; Cao, Hua-Zhen; Lin, Jun-Pin; Zheng, Guo-Qu

2017-06-01

The high temperature oxidation resistance of Ti-50Al was significantly improved via halogen effect which was achieved by anodizing in an ethylene glycol solution containing with fluorine ion. The anodized Ti-50Al with holes and micro-cracks could be self-repaired during oxidation at 1000 °C. The thickness of the oxide scale increases with the prolonging of oxidation time. On the basis of halogen effect for improving the high temperature oxidation resistance of Ti-50Al by anodization, only fluorine addition into the electrolyte can effectively improve the high temperature oxidation resistance of Ti-50Al.

Boiling Heat Transfer to Halogenated Hydrocarbon Refrigerants

Science.gov (United States)

Yoshida, Suguru; Fujita, Yasunobu

The current state of knowledge on heat transfer to boiling refrigerants (halogenated hydrocarbons) in a pool and flowing inside a horizontal tube is reviewed with an emphasis on information relevant to the design of refrigerant evaporators, and some recommendations are made for future research. The review covers two-phase flow pattern, heat transfer characteristics, correlation of heat transfer coefficient, influence of oil, heat transfer augmentation, boiling from tube-bundle, influence of return bend, burnout heat flux, film boiling, dryout and post-dryout heat transfer.

Myocardial Bridge

Science.gov (United States)

... Center > Myocardial Bridge Menu Topics Topics FAQs Myocardial Bridge En español Your heart is made of muscle, ... surface of the heart. What is a myocardial bridge? A myocardial bridge is a band of heart ...

Doubly end-on azido bridged mixed-valence cobalt trinuclear complex: Spectral study, VTM, inhibitory effect and antimycobacterial activity on human carcinoma and tuberculosis cells

Science.gov (United States)

Datta, Amitabha; Das, Kuheli; Sen, Chandana; Karan, Nirmal Kumar; Huang, Jui-Hsien; Lin, Chia-Her; Garribba, Eugenio; Sinha, Chittaranjan; Askun, Tulin; Celikboyun, Pinar; Mane, Sandeep B.

2015-09-01

Doubly end-on azido-bridged mixed-valence trinuclear cobalt complex, [Co3(L)2(N3)6(CH3OH)2] (1) is afforded by employing a potential monoanionic tetradentate-N2O2 Schiff base precursor (2-[{[2-(dimethylamino)ethyl]imino}methyl]-6-methoxyphenol; HL). Single crystal X-ray structure reveals that in 1, the adjacent CoII and CoIII ions are linked by double end-on azido bridges and thus the full molecule is generated by the site symmetry of a crystallographic twofold rotation axis. Complex 1 is subjected on different spectral analysis such as IR, UV-vis, emission and EPR spectroscopy. On variable temperature magnetic study, we observe that during cooling, the χMT values decrease smoothly until 15 K and then reaches to the value 1.56 cm3 K mol-1 at 2 K. Complex 1 inhibits the cell growth on human lung carcinoma (A549 cells), human colorectal (COLO 205 and HT-29 cells), and human heptacellular (PLC5 cells) carcinoma cells. Complex 1 exhibits anti-mycobacterial activity and considerable efficacy on Mycobacterium tuberculosis H37Rv ATCC 27294 and H37Ra ATCC 25177 strains.

Gas-liquid partitioning of halogenated volatile organic compounds in aqueous cyclodextrin solutions

Energy Technology Data Exchange (ETDEWEB)

Ondo, Daniel; Barankova, Eva [Department of Physical Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic); Dohnal, Vladimir, E-mail: dohnalv@vscht.cz [Department of Physical Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic)

2011-08-15

Highlights: > Binding of halogenated VOCs with cyclodextrins examined through g-l partitioning. > Complex stabilities reflect host-guest size matching and hydrophobic interaction. > Presence of halogens in the guest molecule stabilizes the binding. > Thermodynamic origin of the binding varies greatly among the systems studied. > Results obey the guest-CD global enthalpy-entropy compensation relationship. - Abstract: Gas-liquid partitioning coefficients (K{sub GL}) were measured for halogenated volatile organic compounds (VOCs), namely 1-chlorobutane, methoxyflurane, pentafluoropropan-1-ol, heptafluorobutan-1-ol, {alpha},{alpha},{alpha}-trifluorotoluene, and toluene in aqueous solutions of natural {alpha}-, {beta}-, and {gamma}-cyclodextrins (CDs) at temperatures from (273.35 to 326.35) K employing the techniques of headspace gas chromatography and inert gas stripping. The binding constants of the 1:1 inclusion complex formation between the VOCs and CDs were evaluated from the depression of the VOCs volatility as a function of CD concentration. The host-guest size matching and the hydrophobic interaction concept were used to rationalize the observed widely different affinity of the VOC-CD pairs to form the inclusion complex. The enthalpic and entropic component of the standard Gibbs free energy of complex formation as derived from the temperature dependence of the binding constant indicate the thermodynamic origin of the binding to vary greatly among the systems studied, but follow the global enthalpy-entropy compensation relationships reported previously in the literature.

Hydration of the Atlantis Massif: Halogen, Noble Gas and In-Situ δ18O Constraints

Science.gov (United States)

Williams, M. J.; Kendrick, M. A.; Rubatto, D.

2017-12-01

A combination of halogen (Cl, Br, I), noble gases (He, Ne, Ar, Kr and Xe) and in situ oxygen isotope analysis have been utilized to investigate the fluid-mobile element record of hydration and alteration processes at the Atlantis Massif (30°N on the Mid-Atlantic Ridge). The sample suite investigated includes serpentinite, talc-amphibole ± chlorite schist and hydrated gabbro recovered by seafloor drilling undertaken at sites on a transect across the Atlantis Massif during IODP Expedition 357. Serpentine mesh and veins analysed in-situ by SHRIMP SI exhibit δ18O from 6‰ down to ≈0‰, suggesting serpentinization temperatures of 150 to >280°C and water/rock ratios >5. Differences of 1.5-2.5‰ are observed between adjacent generations of serpentine, but the δ18O range is similar at each investigated drilling site. Halogen and noble gas abundances in serpentinites, talc-amphibole schist and hydrated gabbro have been measured by noble gas mass spectrometry of both irradiated and non-irradiated samples. Serpentinites contain low abundances of halogens and noble gases (e.g. 70-430 ppm Cl, 4.7-12.2 x 10-14 mol/g 36Ar) relative to other seafloor serpentinites. The samples have systematically different Br/Cl and I/Cl ratios related to their mineralogy. Serpentinites retain mantle-like Br/Cl with a wide variation in I/Cl that stretches toward seawater values. Talc-amphibole schists exhibit depletion of Br and I relative to Cl with increasing Cl abundances, suggesting tremolite exerts strong control on halogen abundance ratios. Serpentinites show no evidence of interaction with halogen-rich sedimentary pore fluids. Iodine abundances are variable across serpentinites, and are decoupled from Br and Cl; iodine enrichment (up to 530 ppb) is observed within relatively oxidised and clay-bearing samples. Serpentinized harzburgites exhibit distinct depletion of Kr and Xe relative to atmospheric 36Ar in seawater. Oxygen isotope compositions and low abundances of both halogens

Origin of the X-Hal (Hal = Cl, Br) bond-length change in the halogen-bonded complexes.

Science.gov (United States)

Wang, Weizhou; Hobza, Pavel

2008-05-01

The origin of the X-Hal bond-length change in the halogen bond of the X-Hal...Y type has been investigated at the MP2(full)/6-311++G(d,p) level of theory using a natural bond orbital analysis, atoms in molecules procedure, and electrostatic potential fitting methods. Our results have clearly shown that various theories explaining the nature of the hydrogen bond cannot be applied to explain the origin of the X-Hal bond-length change in the halogen bond. We provide a new explanation for this change. The elongation of the X-Hal bond length is caused by the electron-density transfer to the X-Hal sigma* antibonding orbital. For the blue-shifting halogen bond, the electron-density transfer to the X-Hal sigma* antibonding orbital is only of minor importance; it is the electrostatic attractive interaction that causes the X-Hal bond contraction.

A facile approach towards increasing the nitrogen-content in nitrogen-doped carbon nanotubes via halogenated catalysts

International Nuclear Information System (INIS)

Ombaka, L.M.; Ndungu, P.G.; Omondi, B.; McGettrick, J.D.; Davies, M.L.; Nyamori, V.O.

2016-01-01

Nitrogen-doped carbon nanotubes (N-CNTs) have been synthesized at 850 °C via a CVD deposition technique by use of three ferrocenyl derivative catalysts, i.e. para-CN, -CF_3 and -Cl substituted-phenyl rings. The synthesized catalysts have been characterized by NMR, IR, HR-MS and XRD. The XRD analysis of the para-CF_3 catalyst indicates that steric factors influence the X-ray structure of 1,1′-ferrocenylphenyldiacrylonitriles. Acetonitrile or pyridine was used as carbon and nitrogen sources to yield mixtures of N-CNTs and carbon spheres (CS). The N-CNTs obtained from the para-CF_3 catalysts, in pyridine, have the highest nitrogen-doping level, show a helical morphology and are less thermally stable compared with those synthesized by use of the para-CN and -Cl as catalyst. This suggests that fluorine heteroatoms enhance nitrogen-doping in N-CNTs and formation of helical-N-CNTs (H-N-CNTs). The para-CF_3 and para-Cl catalysts in acetonitrile yielded iron-filled N-CNTs, indicating that halogens promote encapsulation of iron into the cavity of N-CNT. The use of acetonitrile, as carbon and nitrogen source, with the para-CN and -Cl as catalysts also yielded a mixture of N-CNTs and carbon nanofibres (CNFs), with less abundance of CNFs in the products obtained using para-Cl catalysts. However, para-CF_3 catalyst in acetonitrile gave N-CNTs as the only shaped carbon nanomaterials. - Graphical abstract: Graphical abstract showing the synthesis of N-CNTs using halogenated-ferrocenyl derivatives as catalyst with pyridine or acetonitrile as nitrogen and carbon sources via the chemical vapour deposition technique. - Highlights: • N-CNTs were synthesized from halogenated ferrocenyl catalysts. • Halogenated catalysts promote nitrogen-doping and pyridinic nitrogen in N-CNTs. • Halogenated catalysts facilitate iron filling of N-CNTs.

Energy and geometry of boron compounds. Halides BHHal2, BHal3 and their disproportionation

International Nuclear Information System (INIS)

Ionov, S.P.; Kuznetsov, N.T.

1998-01-01

Analysis of structural and thermodynamic parameters of boron halogen derivatives was conducted on the basis of structural-thermochemical (ST) model. Equilibrium interatomic B-H distances were specified for gaseous BHF 2 , BHCl 2 and BHBr 2 molecules. They were equal to 1.199±0.002, 1.175±0.003 and 1.79±0.01 A respectively. Formation heat was determined for BHI 2 : Δ f H 298 (BHI 2 (hg) = 72±5 kJ/mol. Qualitative analysis of thermodynamics of reactions of boron halide disproportionation was performed in the framework of ST-model: BHal 3 + 4BHal 3 . It was shown that halogen atoms weakened B-H-H bridges, halogens formed weak bridges in intermediate nonstable dimers

Process for removing halogenated aliphatic and aromatic compounds from petroleum products. [Polychlorinated biphenyls; methylene chloride; perchloroethylene; trichlorofluoroethane; trichloroethylene; chlorobenzene

Science.gov (United States)

Googin, J.M.; Napier, J.M.; Travaglini, M.A.

1982-03-31

A process for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contracting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible polyhydroxy compound, such as, water, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds in the low polar or nonpolar solvent by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered for recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 2 tables.

Impact of enhanced ozone deposition and halogen chemistry on model performance

Science.gov (United States)

In this study, an enhanced ozone deposition scheme due to the interaction of iodide in sea-water and atmospheric ozone and the detailed chemical reactions of organic and inorganic halogen species are incorporated into the hemispheric Community Multiscale Air Quality model. Prelim...

Tumour radiosensitization with the halogenated pyrimidines 5'-bromo-and 5'-iododeoxyuridine

International Nuclear Information System (INIS)

Epstein, A.H.; Cook, J.A.; Goffman, T.; Glatstein, E.

1993-01-01

The authors review studies of the use of iododeoxyuridine (IdUrd) and bromodeoxyuridine as radiosensitizers and attempt to correlate the clinical outcome for patients treated with radiation and IdUrd with the extent of halogenated pyrimidine cellular uptake and incorporation. (U.K.)

Noncovalent Halogen Bonding as a Mechanism for Gas-Phase Clustering

DEFF Research Database (Denmark)

Wegeberg, Christina; Donald, William A.; McKenzie, Christine

2017-01-01

in the crystalline phases of PhIO2 and its derivatives serve as models for the structures of larger gas-phase clusters, and calculations on simple model gas-phase dimer and trimer clusters result in similar motifs. This is the first account of halogen bonding playing an extensive role in gas-phase associations....

Radiation-induced DNA damage in halogenated pyrimidine incorporated cells and its correlation with radiosensitivity

International Nuclear Information System (INIS)

Watanabe, R.; Nikjoo, H.

2003-01-01

Cells with DNA containing 5-halogenated pyrimidines in place of thymidine show significant reductions of slope (Do) and shoulder (Dq) of their radiation survival curves. Similar radiosensitization has also been observed in the yield of DNA strand breaks. The purpose of this study is to obtain an insight into the mechanism of cell lethality by examining the relationship between the spectrum of DNA damage and the cell survival. In this study we estimated the enhancement of strand breaks due to incorporation of halogenated pyrimidine, the complexity of DNA damage and the probability of the initial DNA damage leading to cell inactivation. Monte Carlo track structure methods were used to model and simulate the induction of strand breakage by X-rays. The increase of DNA strand break was estimated by assuming the excess strand break was caused by the highly reactive uracil radicals at the halouracil substituted sites. The assumption of the enhancement mechanism of strand breaks was examined and verified by comparison with experimental data for induction of SSB and DSB. The calculated DNA damage spectrum shows the increase in complexity of strand breaks is due to incorporation of halogenated pyrimidines. The increase in the yield of DSB and cell lethality show similar trend at various degrees of halogenated pyrimidine substitution. We asked the question whether this agreement supports the hypothesis that DSB is responsible for cell lethality? The estimated number of lethal damage from the cell survival using a linear-quadratic model is much less than the initial yield of DSB. This work examines the correlation of cell lethality as a function of frequencies of complex form of double strand breaks

Using Halogens (Cl, Br, F, I) and Stable Isotopes of Water (δ18O, δ2H) to Trace Hydrological and Biogeochemical Processes in Prairie Wetlands

Science.gov (United States)

Levy, Z. F.; Lu, Z.; Mills, C. T.; Goldhaber, M. B.; Rosenberry, D. O.; Mushet, D.; Siegel, D. I.; Fiorentino, A. J., II; Gade, M.; Spradlin, J.

2014-12-01

Prairie pothole wetlands are ubiquitous features of the Great Plains of North America, and important habitat for amphibians and migratory birds. The salinity of proximal wetlands varies highly due to groundwater-glacial till interactions, which influence wetland biota and associated ecosystem functions. Here we use halogens and stable isotopes of water to fingerprint hydrological and biogeochemical controls on salt cycling in a prairie wetland complex. We surveyed surface, well, and pore waters from a groundwater recharge wetland (T8) and more saline closed (P1) and open (P8) basin discharge wetlands in the Cottonwood Lake Study Area (ND) in August/October 2013 and May 2014. Halogen concentrations varied over a broad range throughout the study area (Cl = 2.2 to 170 mg/L, Br = 13 to 2000 μg/L, F = evaporation-enriched pond water (δ18O = -9.5 to -2.71 ‰) mixes with shallow groundwater in the top 0.6 m of fringing wetland soils and 1.2 m of the substrate in the center of P1. Our results suggest endogenous sources for Br and I within the prairie landscape that may be controlled by biological mechanisms or weathering of shale from glacial till.

Food-Bridging: A New Network Construction to Unveil the Principles of Cooking

Directory of Open Access Journals (Sweden)

Tiago Simas

2017-06-01

Full Text Available In this manuscript, we propose, analyze, and discuss a possible new principle behind traditional cuisine: the Food-bridging hypothesis and its comparison with the food-pairing hypothesis using the same dataset and graphical models employed in the food-pairing study by Ahn et al. (2011. The Food-bridging hypothesis assumes that if two ingredients do not share a strong molecular or empirical affinity, they may become affine through a chain of pairwise affinities. That is, in a graphical model as employed by Ahn et al., a chain represents a path that joints the two ingredients, the shortest path represents the strongest pairwise chain of affinities between the two ingredients. Food-pairing and Food-bridging are different hypotheses that may describe possible mechanisms behind the recipes of traditional cuisines. Food-pairing intensifies flavor by mixing ingredients in a recipe with similar chemical compounds, and food-bridging smoothes contrast between ingredients. Both food-pairing and food-bridging are observed in traditional cuisines, as shown in this work. We observed four classes of cuisines according to food-pairing and food-bridging: (1 East Asian cuisines, at one extreme, tend to avoid food-pairing as well as food-bridging; and (4 Latin American cuisines, at the other extreme, follow both principles. For the two middle classes: (2 Southeastern Asian cuisines, avoid food-pairing and follow food-bridging; and (3 Western cuisines, follow food-pairing and avoid food-bridging.

Influence of ligand-bridged substitution on the exchange coupling constant of chromium-wheels host complexes: a density functional theory study

Science.gov (United States)

Sadeghi Googheri, Motahare; Abolhassani, Mohammad Reza; Mirzaei, Mahmoud

2018-05-01

Designing and introducing novel wheel-shaped supramolecular as host complexes with new magnetic properties is the theme of the day. So in this study, new eight binuclear chromium (III) complexes, as models of real chromium-wheel host complexes, were designed based on changing of bridged-ligands and exchange coupling constants (J) of them were calculated using the broken symmetry density functional theory approach. Substitution of fluorine ligand in fluoro-bridged model [Cr2F(tBuCO2)2(H2O)2(OH)4]-1 by halogen anions (Cl-, Br- and I- ) decreased the antiferromagnetic exchange coupling between Cr(III) centres such that by going from F- to I- the J values became more positive. In the case of hydroxo-bridged model [Cr2OH(tBuCO2)2(H2O)2(OH)4]-1, replacement of hydroxyl by methoxy anion (OMe-) strengthened the antiferromagnetic property of the complex but substitution by sulfanide (SH-) and amide (NH2-) anions weakened it and changed the nature of complexes to ferromagnetic. Because of their different magnetic properties, these new investigated complexes can be suggested as interesting synthetic targets. Also, the J value changes due to ligand substitution were evaluated and it was found that the Cr-X bond strength and partial charges of involved atoms were the most effective factors on it.

Evaluating the time-dependent and bond characteristics of lightweight concrete mixes for Kansas prestressed concrete bridges : technical summary.

Science.gov (United States)

2011-07-01

The majority of the bridges in Kansas are in rural areas. Many of these are : becoming structurally deficient, and are in need of replacement. Due to the location of : these bridges, cost of transporting prestressed girders to these areas often makes...

The Akashi Kaikyo Bridge and the Storebælt Bridge

DEFF Research Database (Denmark)

Gimsing, Niels Jørgen

1999-01-01

With the completion of the Akashi Kaikyo Bridge and the Storebælt East Bridge the development of the suspension bridge technology in the 20th century has manifested itself in two impressive structures. With the present echnology may bridges of similar (and also more modest) dimensions...... will undoubtedly be built far into the next century. For bridges going beyond the spans of existing bridges it is, however, likely that new concepts will be developed....

Cooperativity of halogen, chalcogen, and pnictogen bonds in infinite molecular chains by electronic structure theory.

Science.gov (United States)

George, Janine; Deringer, Volker L; Dronskowski, Richard

2014-05-01

Halogen bonds (XBs) are intriguing noncovalent interactions that are frequently being exploited for crystal engineering. Recently, similar bonding mechanisms have been proposed for adjacent main-group elements, and noncovalent "chalcogen bonds" and "pnictogen bonds" have been identified in crystal structures. A fundamental question, largely unresolved thus far, is how XBs and related contacts interact with each other in crystals; similar to hydrogen bonding, one might expect "cooperativity" (bonds amplifying each other), but evidence has been sparse. Here, we explore the crucial step from gas-phase oligomers to truly infinite chains by means of quantum chemical computations. A periodic density functional theory (DFT) framework allows us to address polymeric chains of molecules avoiding the dreaded "cluster effects" as well as the arbitrariness of defining a "large enough" cluster. We focus on three types of molecular chains that we cut from crystal structures; furthermore, we explore reasonable substitutional variants in silico. We find evidence of cooperativity in chains of halogen cyanides and also in similar chalcogen- and pnictogen-bonded systems; the bonds, in the most extreme cases, are amplified through cooperative effects by 79% (I···N), 90% (Te···N), and 103% (Sb···N). Two experimentally known organic crystals, albeit with similar atomic connectivity and XB characteristics, show signs of cooperativity in one case but not in another. Finally, no cooperativity is observed in alternating halogen/acetone and halogen/1,4-dioxane chains; in fact, these XBs weaken each other by up to 26% compared to the respective gas-phase dimers.

Bridge Management Systems

DEFF Research Database (Denmark)

Thoft-Christensen, Palle

In this paper bridge management systems are discussed with special emphasis on management systems for reinforced concrete bridges. Management systems for prestressed concrete bridges, steel bridges, or composite bridges can be developed in a similar way....

Comparative study of physical properties of binary mixtures of halogen free ionic liquids with alcohols

International Nuclear Information System (INIS)

Alkhaldi, Khaled H.A.E.; Al-Jimaz, Adel S.; AlTuwaim, Mohammad S.

2017-01-01

Highlights: • Physical properties of binary mixtures of halogen free ILs with C 3 , C 4 and C 5 were invetigated. • Densities, refractive indices and speed of sound were measured. • V E , K s E , u D and n D E were calculated using the experimental data. • Speed of sound data were analyzed using different theories and relations. • Different mixing rules were used to predict the experimental refractive indices. - Abstract: Densities, refractive indices and speeds of sound along with their excess or deviation properties for both 1,3-dimethylimidazolium methylsulfate ([dmim][MeSO 4 ]) and 1-ethyl-3-methylimidazolium methylsulfate ([emim][MeSO 4 ]) with 1-propanol, 1-butanol and 1-pentanol over the entire range of mole fraction are reported at temperatures ranging from 298.15 K to 313.15 K and atmospheric pressure. Isentropic and excess isentropic compressibilities for both ionic liquids with 1-alcohols were calculated from the experimental results. Excess and deviation properties were further correlated using the Redlich-Kister polynomial. The measured speeds of sound were compared to the values obtained from Schaaffs' collision factor theory, Jacobson's intermolecular free length theory of solutions and Nomoto’s relation. In addition, the experimentally obtained refractive indices were compared to the calculated values using Lorentz-Lorenz, Dale-Gladstone and Eykman mixing rules.

High-energy-density hydrogen-halogen fuel cells for advanced military applications

International Nuclear Information System (INIS)

Balko, E.N.; McElroy, J.F.

1981-01-01

It is pointed out that hydrogen-halogen fuel cell systems are particularly suited for an employment as ground power sources for military applications. The large cell potential and reversible characteristics of the H 2 Cl 2 and H 2 Br 2 couples permit high energy storage density and efficient energy conversion. When used as flow batteries, the fluid nature of the reactants in the hydrogen-halogen systems has several advantages over power sources which involve solid phases. Very deep discharge is possible without degradation of subsequent performance, and energy storage capacity is limited only by the external reactant storage volume. Very rapid chemical recharging is possible through replenishment of the reactant supply. A number of H 2 Cl 2 and H 2 Br 2 fuel cell systems have been studied. These systems use the same solid polymer electrolyte (SPE) cell technology originally developed for H2/O2 fuel cells. The results of the investigation are illustrated with the aid of a number of graphs

Organic halogen compounds and surface water pollution; Composti organoalogenati alifatici e contaminazione delle acque superficiali

Energy Technology Data Exchange (ETDEWEB)

Cocchioni, M.; Pellegrini, M. G.; Grappasonni, I.; Nacciarriti, L.; Bernacchia, G. [Camerino, Univ. (Italy). Dipt. di Scienze Igienistiche e Sanitarie-Ambientali

1997-03-01

A brief review of the effects of halogenated organic compounds on the fluvial ecosystem is followed by results from a detailed monitoring of these substances in all the Marches Region rivers. The results show generally modest concentrations, except for sporadic peaks for chloroform. Sites revealing significant concentrations of halogenated organic compounds also manifested a worsening of the biological quality of the waters with lessening of E.B.I. Attention is drawn to the negative effects of indiscriminate chlorination of purification plant outputs, as this practice often fails to resolve infective problems and in itself adds toxicity to the watercourse.

Impact of bromide on halogen incorporation into organic moieties in chlorinated drinking water treatment and distribution systems.

Science.gov (United States)

Tan, J; Allard, S; Gruchlik, Y; McDonald, S; Joll, C A; Heitz, A

2016-01-15

The impact of elevated bromide concentrations (399 to 750 μg/L) on the formation of halogenated disinfection by-products (DBPs), namely trihalomethanes, haloacetic acids, haloacetonitriles, and adsorbable organic halogen (AOX), in two drinking water systems was investigated. Bromine was the main halogen incorporated into all of the DBP classes and into organic carbon, even though chlorine was present in large excess to maintain a disinfectant residual. Due to the higher reactivity of bromine compared to chlorine, brominated DBPs were rapidly formed, followed by a slower increase in chlorinated DBPs. Higher bromine substitution and incorporation factors for individual DBP classes were observed for the chlorinated water from the groundwater source (lower concentration of dissolved organic carbon (DOC)), which contained a higher concentration of bromide, than for the surface water source (higher DOC). The molar distribution of adsorbable organic bromine to chlorine (AOBr/AOCl) for AOX in the groundwater distribution system was 1.5:1 and almost 1:1 for the surface water system. The measured (regulated) DBPs only accounted for 16 to 33% of the total organic halogen, demonstrating that AOX measurements are essential to provide a full understanding of the formation of halogenated DBPs in drinking waters. In addition, the study demonstrated that a significant proportion (up to 94%) of the bromide in source waters can be converted AOBr. An evaluation of AOBr and AOCl through a second groundwater treatment plant that uses conventional treatment processes for DOC removal produced 70% of AOX as AOBr, with 69% of the initial source water bromide converted to AOBr. Exposure to organobromine compounds is suspected to result in greater adverse health consequences than their chlorinated analogues. Therefore, this study highlights the need for improved methods to selectively reduce the bromide content in source waters. Copyright © 2015 Elsevier B.V. All rights reserved.

High energy halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1979-February 14, 1980

Energy Technology Data Exchange (ETDEWEB)

Rack, E.P.

1980-02-01

The program consists of six interrelated areas: (1) Reactions of iodine with alkenes and alkynes activated by radiative neutron capture and isomeric transition in low pressure gaseous systems employing additives and rare gas moderators, high pressure, and liquid systems. Special attention was given to the reactivity of excited complex formation and structural effects of electrophilic iodine attack on various pi-bond systems. (2) The gas-to-condensed phase transition in halogen high energy chemistry. Current interest involves the study of caging effects of an ice lattice on recombination reactions involving neutron-irradiated frozen aqueous solutions of halogenated organic and biochemical solutes in order to learn more about kinetic energy effects, halogen size, solute molecule size, steric effects and hydrogen bonding within an ice lattice cage. (3) Systematics of halogen hot atom reactions. The reactions of /sup 80m/Br, /sup 80/Br, /sup 82m/Br + /sup 82/Br, /sup 82/Br, /sup 82/Br, /sup 128/I, /sup 130/I, and /sup 130m/I + /sup 130/I activated by radiative neutron capture or isomeric transition in hydrocarbons and halo-substituted alkanes in low pressure and high pressure gaseous systems employing additives and rare gas moderators are currently being studied. (4) Mathematical and computer simulation studies of caging events within an ice lattice are being investigated. (5) At Brookhaven National Laboratory, cyclotron-produced chlorine and fluorine hot atoms substitution reactions with molecules possessing a single chiral center are under investigation to determine the role of hot atom kinetic energy, halogen atom, enantioner structure, steric effects and phase on the extent of substitution by retention of configuration or by Walden inversion. (6) The applications of high energy techniques and concepts to neutron activation analysis for trace element determinations in biological systems was continued.

Effects of halogenated aromatics/aliphatics and nitrogen(N)-heterocyclic aromatics on estimating the persistence of future pharmaceutical compounds using a modified QSAR model.

Science.gov (United States)

Lim, Seung Joo; Fox, Peter

2014-02-01

The effects of halogenated aromatics/aliphatics and nitrogen(N)-heterocyclic aromatics on estimating the persistence of future pharmaceutical compounds were investigated using a modified half life equation. The potential future pharmaceutical compounds investigated were approximately 2000 pharmaceutical drugs currently undergoing the United States Food and Drug Administration (US FDA) testing. EPI Suite (BIOWIN) model estimates the fates of compounds based on the biodegradability under aerobic conditions. While BIOWIN considered the biodegradability of a compound only, the half life equation used in this study was modified by biodegradability, sorption and cometabolic oxidation. It was possible that the potential future pharmaceutical compounds were more accurately estimated using the modified half life equation. The modified half life equation considered sorption and cometabolic oxidation of halogenated aromatic/aliphatics and nitrogen(N)-heterocyclic aromatics in the sub-surface, while EPI Suite (BIOWIN) did not. Halogenated aliphatics in chemicals were more persistent than halogenated aromatics in the sub-surface. In addition, in the sub-surface environment, the fates of organic chemicals were much more affected by halogenation in chemicals than by nitrogen(N)-heterocyclic aromatics. © 2013.

Construction of a composite cable stayed bridge. Karnali river bridge in Nepal. Gosei shachokyo no kensetsu. Karnali kawa kyoryo

Energy Technology Data Exchange (ETDEWEB)

Maeda, M.; Nakamura, K.; Shimodoi, H.; Amako, M.; Miyoshi, S.; Haruta, M.; Okada, S.; Kuroki, S. (Kawasaki Heavy Industries, Ltd., Tokyo (Japan))

1994-07-20

The present report reports the construction of Karnali River Bridge in Nepal by Kawasaki Heavy Industries, Ltd. The present bridge is a composite cable stayed bridge, two-spanned with a main span length of 325m and side span length of 175m. Having an about 125m-high single tower, it is 11.3m in breadth and 3m in main truss height. The main truss is supported by both faces of 30 cables per face, i.e., 60 cables. (Each of both main and side spans has 15 cables per face.) The design and construction are described with the following their itemization: design (bending moment properties in the erected system, composite structure of main truss and stress analysis at the time of erection). Wind resisting measures (measures for the wind resistant stability at the time of erection of both tower and main truss cantilever). Fabrication and transportation of steel structural members. Fabrication of precast floor plates (concrete mixing, and fabrication and curing of floor plates). Construction of tower foundation (tremie concrete and air concrete). Erection of upper structures (erection of tower, both main and side spans, and accuracy management). 14 figs., 4 tabs.

Cellular effects of halogen blue light from dental curing unit

International Nuclear Information System (INIS)

Trosic, I.; Pavicic, I.; Jukic, S.

2008-01-01

Full text: Halogen curing lights are the most frequently used polymerization source in dental offices. Light-cured bonding systems have become increasingly popular among clinicians because they offer a number of advantages over self-cured adhesives. The effort to increase polymerization quality releases the commercially available high power light density dental curing units. Emitted visible blue light belongs to the range of nonionizing radiation. Common concern in both, patients and dentist grows with regard to the unfavorable effects on the pulp tissue. The aim of study was to evaluate the time and dose dependence effect of halogen light curing unit (Elipar TriLight, ESPE Dental AG, Germany) at the disposed condition modes in vitro. A quartz-tungsten-halogen light source emits radiation of the wavelengths between 400 and 515 nm. This halogen blue light source operates in the three illumination modes, medium (M), exponential (E) and standard (S), and five illumination times. The total irradiance or the light intensity was measured by the light intensity control area on the control panel of device and mean light intensity given by manufacturer was 800 m W/cm 2 . Continuous culture of V79 cells was illuminated in triplicate. The influence of medium mode (M), exponential (E) and standard (S) illumination during 20, 40 and 80 sec on the cell viability, colony forming ability and proliferation of V79 cell culture was investigated. Trypan blue exclusion test was used to determine cell viability, both, in the treated and control cell samples. Colony forming ability was assessed for each exposure time and mode by colony count on post-exposure day 7. Cell proliferation was determined by cell counts for each time and mode of exposure during five post-exposure days. Statistical difference were determined at p<0.05 (Statistica 7.0, StatSoft Inc., USA). Viability of cells was not affected by blue light in view of exposure time and modes. Regardless to exposure or illumination

Structural study of some halogen oxyfluorides

International Nuclear Information System (INIS)

Tantot, Georges.

1976-12-01

Some halogen oxyfluorides are studied from a structural point of view by vibrational spectroscopy and nuclear magnetic resonance. Force constant and molecular orbital calculations are added to the experimental data. The pyramidal shape of ClO 2 F under its three physical states is confirmed. In the gas and liquid phases an intermolecular association is observed. A similar interaction takes place in ClOF 3 . ClO 3 F has only a solid state transition above 10K. The structures of ClO 2 F and KBrO 2 F 2 are partly determined. The theoretical calculations are well correlated with the experimental data. They suggest a major influence of the ligands [fr

Railroad Bridges

Data.gov (United States)

Department of Homeland Security — Bridges-Rail in the United States According to The National Bridge Inspection Standards published in the Code of Federal Regulations (23 CFR 650.3), a bridge isA...

Implementation of Bridge Management System on Interurban Bridge in Maluku Province

Directory of Open Access Journals (Sweden)

Erwin Marasabessy

2015-05-01

Full Text Available Bridges as transport infrastructures play a vital role in smoothing traffic flows. The success of a bridge in playing its role and serving its function depends on its management. The Directorate General of Highways of the Ministry of Public Work has used a system to manage bridges known as the Bridge Management System (BMS. The system allows a systematic plan and provides a uniform procedure for all bridge operation activities on the national and provincial level. Data from Implementation Agency of National Inter-Urban Roads of Area IX, Northern Maluku in 2011 indicates that the total length of national roads in Maluku Province is 15,238.01 M, with a total of 562 bridges. In Ambon Island, especially, there are 52 bridges totaling 1,176.25 m in length. The study was conducted at several inter-urban bridges in Maluku Province of Ambon Island: Wai Batu Merah, Wai Ruhu, Wai Lawa, Wai Yari and Wai Tua bridges. Assessment of bridge structure conditions was conducted visually to determine the conditions of the existing bridges comprehensively by referring to the Bridge Management System (BMS complemented with a computer-based Bridge Management Information System (BMIS. Condition scores for the five bridges—Wai Batu Merah, Wai Ruhu, Wai Lawa, Wai Yari, and Wai Tua, according to Bridge Management System, are 2, 1, 2, 1, and 2 respectively. The scores of the five bridges indicate that their physical condition can be categorized as good or with minor defects. Based on technical screening, the proposed treatment for Wai Batu Merah, Wai Ruhu, Wai Lawa, dan Wai Tua bridges is the rehabilitation of their sub-elements. As for the Wai Yari Bridge, the treatment will be maintained regularly. The defect repair costs are IDR 149,138,238.00, IDR 81,048,000.00, IDR 174,579,106.10, IDR 79,233,324.01 and IDR 238,323,258.60 for Wai Batu, Wai Ruhu, Wai Lawa, Wai Yari, and Wai Tua Bridges, respectively.

Induction and prevention of micronuclei and chromosomal aberrations in cultured human lymphocytes exposed to the light of halogen tungsten lamps.

Science.gov (United States)

D'Agostini, F; Caimo, A; De Filippi, S; De Flora, S

1999-07-01

Previous studies have shown that the light emitted by halogen tungsten lamps contains UV radiation in the UV-A, UV-B and UV-C regions, induces mutations and irreparable DNA damage in bacteria, enhances the frequency of micronuclei in cultured human lymphocytes and is potently carcinogenic to the skin of hairless mice. The present study showed that the light emitted by an uncovered, traditional halogen lamp induces a significant, dose-related and time-related increase not only in micronuclei but also in chromosome-type aberrations, such as breaks, and even more in chromatid-type aberrations, such as isochromatid breaks, exchanges and isochromatid/chromatid interchanges, all including gaps or not, in cultured human lymphocytes. All these genotoxic effects were completely prevented by shielding the same lamp with a silica glass cover, blocking UV radiation. A new model of halogen lamp, having the quartz bulb treated in order to reduce the output of UV radiation, was considerably less genotoxic than the uncovered halogen lamp, yet induction of chromosomal alterations was observed at high illuminance levels.

Dehydrohalogenation during pyrolysis of brominated flame retardant containing high impact polystyrene (HIPS-Br) mixed with polyvinylchloride (PVC)

Energy Technology Data Exchange (ETDEWEB)

Uddin, M.A.; Bhaskar, T.; Kaneko, J.; Muto, A.; Sakata, Y.; Matsui, T. [Okayama University, Okayama (Japan). Dept. of Applied Chemistry, Faculty of Engineering

2002-09-01

Dehydrohalogenation during pyrolysis of brominated flame retardant containing polystyrene (brominated high impact polystyrene (HIPS-Br)) mixed with polyvinylchloride (PVC) was carried out in a laboratory scale batch process. Thermal and catalytic degradation of HIPS-Br mixed with PVBC on carbon composite of iron oxide (TR-00301) catalyst was investigated. The thermal degradation of waste plastics (HIPS-Br/PVC) yielded liquid products with 55,000 ppm bromine and 4300 ppm chlorine content in oil. Catalytic degradation (4 g; TR-00301) of HIPS-Br/PVC waste plastics at 430{degree}C produced halogen-free clean oil, which can be used as a fuel oil or chemical feedstock. The main liquid products during catalytic degradation were benzene, toluene, styrene, ethyl benzene, {alpha}-methyl styrene, butyl benzene, 1,2-dimethyl benzene etc. The average carbon number of the liquid products produced during catalytic degradation (9.3) of waste plastics was less than that of the thermal degradation (10.4) and the density of liquid products was found to be lower during the catalytic degradation than the thermal degradation. The possibility of a single step catalytic process for the conversion of halogenated waste plastics into fuel oil with the simultaneous removal of chlorine and bromine content form the oil was demonstrated. 21 refs., 7 figs., 2 tabs.

High power light emitting diode (LED) arrays versus halogen light polymerization of oral biomaterials: Barcol hardness, compressive strength and radiometric properties.

Science.gov (United States)

Mills, Robin W; Uhl, Alexander; Blackwell, Gordon B; Jandt, Klaus D

2002-07-01

The clinical performance of light polymerized dental composites is greatly influenced by the quality of the light curing unit (LCU) used. Commonly used halogen LCUs have some specific drawbacks such as decreasing light output with time. This may result in a low degree of monomer conversion of the composites with negative clinical implications. Previous studies have shown that blue light emitting diode (LED) LCUs have the potential to polymerize dental composites without having the drawbacks of halogen LCUs. Since these studies were carried out LED technology has advanced significantly and commercial LED LCUs are now becoming available. This study investigates the Barcol hardness as a function of depth, and the compressive strength of dental composites that had been polymerized for 40 or 20s with two high power LED LCU prototypes, a commercial LED LCU, and a commercial halogen LCU. In addition the radiometric properties of the LCUs were characterized. The two high power prototype LED LCUs and the halogen LCU showed a satisfactory and similar hardness-depth performance whereas the hardness of the materials polymerized with the commercial LED LCU rapidly decreased with sample depth and reduced polymerization time (20 s). There were statistically significant differences in the overall compressive strengths of composites polymerized with different LCUs at the 95% significance level (p = 0.0016) with the two high power LED LCU prototypes and the halogen LCU forming a statistically homogenous group. In conclusion, LED LCU polymerization technology can reach the performance level of halogen LCUs. One of the first commercial LED LCUs however lacked the power reserves of the high power LED LCU prototypes.

Quadrupole coupling constants and isomeric Moessbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

International Nuclear Information System (INIS)

Poleshchuk, O. K.; Branchadell, V.; Ritter, R. A.; Fateev, A. V.

2008-01-01

We have analyzed by means of Density functional theory calculations the nuclear quadrupole coupling constants of a range of gold, antimony, platinum, niobium and tantalum compounds. The geometrical parameters and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave and nuclear quadrupole resonance spectroscopy. An analysis of the quality of the calculations that employ pseudo-potentials and all-electron basis sets for the halogen compounds was carried out. The zero order regular approximation (ZORA) method is shown to be a viable alternative for the calculation of halogen coupling constants in molecules. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of all metal nuclear quadrupole coupling constants. From Klopman's approach, it follows that the relationship between the electrostatic bonding and covalent depends on the nature of the central atom. The results on Moessbauer chemical shifts are also in a good agreement with the coordination number of the central atom.

Quadrupole coupling constants and isomeric Moessbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

Energy Technology Data Exchange (ETDEWEB)

Poleshchuk, O. K., E-mail: poleshch@tspu.edu.ru [Tomsk State Pedagogical University (Russian Federation); Branchadell, V. [Universitat Autonoma de Barcelona, Departament de Quimica (Spain); Ritter, R. A.; Fateev, A. V. [Tomsk State Pedagogical University (Russian Federation)

2008-01-15

We have analyzed by means of Density functional theory calculations the nuclear quadrupole coupling constants of a range of gold, antimony, platinum, niobium and tantalum compounds. The geometrical parameters and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave and nuclear quadrupole resonance spectroscopy. An analysis of the quality of the calculations that employ pseudo-potentials and all-electron basis sets for the halogen compounds was carried out. The zero order regular approximation (ZORA) method is shown to be a viable alternative for the calculation of halogen coupling constants in molecules. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of all metal nuclear quadrupole coupling constants. From Klopman's approach, it follows that the relationship between the electrostatic bonding and covalent depends on the nature of the central atom. The results on Moessbauer chemical shifts are also in a good agreement with the coordination number of the central atom.

Long-term bridge performance high priority bridge performance issues.

Science.gov (United States)

2014-10-01

Bridge performance is a multifaceted issue involving performance of materials and protective systems, : performance of individual components of the bridge, and performance of the structural system as a whole. The : Long-Term Bridge Performance (LTBP)...

Allergic contact dermatitis due to highly reactive halogenated compounds

Energy Technology Data Exchange (ETDEWEB)

Pickering, F C; Ive, F A

1983-11-01

Ten cases of dermatitis in a fine organic chemicals plant are reported. These cases were all due to exposure to chemical compounds with reactive bromine or chlorine atoms. This type of chemical is always extremely irritant, but evidence is put forward to suggest that these cases were the result of allergic sensitization. Chemicals with reactive halogen atoms should always be handled with extreme care and patch testing should be approached with caution.

Ligand-bridged dinuclear cyclometalated Ir(III) complexes: from metallamacrocycles to discrete dimers.

Science.gov (United States)

Chandrasekhar, Vadapalli; Hajra, Tanima; Bera, Jitendra K; Rahaman, S M Wahidur; Satumtira, Nisa; Elbjeirami, Oussama; Omary, Mohammad A

2012-02-06

Metallamacrocycles 1, 2, and 3 of the general formula [{Ir(ppy)(2)}(2)(μ-BL)(2)](OTf)(2) (ppyH = 2-phenyl pyridine; BL = 1,2-bis(4-pyridyl)ethane (bpa) (1), 1,3-bis(4-pyridyl)propane (bpp) (2), and trans-1,2-bis(4-pyridyl)ethylene (bpe) (3)) have been synthesized by the reaction of [{(ppy)(2)Ir}(2)(μ-Cl)(2)], first with AgOTf to effect dechlorination and later with various bridging ligands. Open-frame dimers [{Ir(ppy)(2)}(2)(μ-BL)](OTf)(2) were obtained in a similar manner by utilizing N,N'-bis(2-pyridyl)methylene-hydrazine (abp) and N,N'-(bis(2-pyridyl)formylidene)ethane-1,2-diamine (bpfd) (for compounds 4 and 5, respectively) as bridging ligands. Molecular structures of 1, 3, 4, and 5 were established by X-ray crystallography. Cyclic voltammetry experiments reveal weakly interacting "Ir(ppy)(2)" units bridged by ethylene-linked bpe ligand in 3; on the contrary the metal centers are electronically isolated in 1 and 2 where the bridging ligands are based on ethane and propane linkers. The dimer 4 exhibits two accessible reversible reduction couples separated by 570 mV indicating the stability of the one-electron reduced species located on the diimine-based bridge abp. The "Ir(ppy)(2)" units in compound 5 are noninteracting as the electronic conduit is truncated by the ethane spacer in the bpfd bridge. The dinuclear compounds 1-5 show ligand centered (LC) transitions involving ppy ligands and mixed metal to ligand/ligand to ligand charge transfer (MLCT/LLCT) transitions involving both the cyclometalating ppy and bridging ligands (BL) in the UV-vis spectra. For the conjugated bridge bpe in compound 3 and abp in compound 4, the lowest-energy charge-transfer absorptions are red-shifted with enhanced intensity. In accordance with their similar electronic structures, compounds 1 and 2 exhibit identical emissions. The presence of vibronic structures in these compounds indicates a predominantly (3)LC excited states. On the contrary, broad and unstructured

47 CFR 80.163 - Operator requirements of the Bridge-to-Bridge Act.

Science.gov (United States)

2010-10-01

... 47 Telecommunication 5 2010-10-01 2010-10-01 false Operator requirements of the Bridge-to-Bridge... Requirements § 80.163 Operator requirements of the Bridge-to-Bridge Act. Each ship subject to the Bridge-to-Bridge Act must have on board a radio operator who holds a restricted radiotelephone operator permit or...

Bridge health monitoring metrics : updating the bridge deficiency algorithm.

Science.gov (United States)

2009-10-01

As part of its bridge management system, the Alabama Department of Transportation (ALDOT) must decide how best to spend its bridge replacement funds. In making these decisions, ALDOT managers currently use a deficiency algorithm to rank bridges that ...

47 CFR 80.309 - Watch required by the Bridge-to-Bridge Act.

Science.gov (United States)

2010-10-01

... 47 Telecommunication 5 2010-10-01 2010-10-01 false Watch required by the Bridge-to-Bridge Act. 80... Safety Watches § 80.309 Watch required by the Bridge-to-Bridge Act. In addition to the watch requirement contained in § 80.148, all vessels subject to the Bridge-to-Bridge Act must keep a watch on the designated...

Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes

Czech Academy of Sciences Publication Activity Database

Fanfrlík, Jindřich; Holub, Josef; Růžičková, Z.; Řezáč, Jan; Lane, P. D.; Wann, D. A.; Hnyk, Drahomír; Růžička, A.; Hobza, Pavel

2016-01-01

Roč. 17, č. 21 (2016), s. 3373-3376 ISSN 1439-4235 R&D Projects: GA ČR(CZ) GBP208/12/G016; GA ČR(CZ) GA15-05677S Institutional support: RVO:61388963 ; RVO:61388980 Keywords : bromine * carboranes * halogen bonds * sigma holes * X-ray crystal structure Subject RIV: CF - Physical ; Theoretical Chemistry; CA - Inorganic Chemistry (UACH-T) Impact factor: 3.075, year: 2016

Strength and Character of Halogen Bonds in Protein-Ligand Complexes

Czech Academy of Sciences Publication Activity Database

Riley, Kevin Eugene; Hobza, Pavel

2011-01-01

Roč. 11, č. 10 (2011), s. 4272-4278 ISSN 1528-7483 R&D Projects: GA MŠk LC512 Grant - others:Research and Development for Innovations of European Social Fund(XE) CZ.1.05/2.1.00/03.0058 Institutional research plan: CEZ:AV0Z40550506 Keywords : halogen bond * protein-ligand complexes * calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.720, year: 2011

Field performance of timber bridges. 7, Connell Lake stress-laminated deck bridge

Science.gov (United States)

L. E. Hislop; M. A. Ritter

The Connell Lake bridge was constructed in early 1991 on the Tongass National Forest, Alaska, as a demonstration bridge under the Timber Bridge Initiative. The bridge is a stress-laminated deck structure with an approximate 36-ft length and 18-ft width and is the first known stress-laminated timber bridge constructed in Alaska. Performance of the bridge was monitored...

A halogen-free synthesis of gold nanoparticles using gold(III) oxide

International Nuclear Information System (INIS)

Sashuk, Volodymyr; Rogaczewski, Konrad

2016-01-01

Gold nanoparticles are one of the most used nanomaterials. They are usually synthesized by the reduction of gold(III) chloride. However, the presence of halide ions in the reaction mixture is not always welcome. In some cases, these ions have detrimental influence on the morphology and structure of resulting nanoparticles. Here, we present a simple and halogen-free procedure to prepare gold nanoparticles by reduction of gold(III) oxide in neat oleylamine. The method provides the particles with an average size below 10 nm and dispersity of tens of percent. The process of nanoparticle formation was monitored using UV–Vis spectroscopy. The structure and chemical composition of the nanoparticles was determined by SEM, XPS and EDX. We also proposed the mechanism of reduction of gold(III) oxide based on MS, IR and NMR data. Importantly, the synthetic protocol is general and applicable for the preparation of other coinage metal nanoparticles from the corresponding metal oxides. For instance, we demonstrated that the absence of halogen enables efficient alloying of metals when preparing gold–silver bimetallic nanoparticles.

Track-Bridge Longitudinal Interaction of Continuous Welded Rails on Arch Bridge

Directory of Open Access Journals (Sweden)

Rong Chen

2013-01-01

Full Text Available Taking arch bridges, including deck, half-through, and through arch bridges (short for DAB, HTAB, and TAB as examples, mechanics analysis models of longitudinal interaction between continuously welded rails (short for CWRs and arch bridges are established. Based on the finite element method (FEM, the longitudinal interaction calculation software of CWR on arch bridges has been developed. Focusing on an HTAB, the tension, compression, and deflection conditions are calculated and analyzed. The results show that the mechanics analysis models of three types of arch bridges can truly reflect the real state of the structure; the calculation software can be used for systematic research of the CWR on arch bridge; as for HTAB, temperature difference of arch rib has a small effect on rail tension/compression, and arch bridge can be simplified as a continuous beam for rail tension/compression additional force calculation; in calculation of deflection conditions of HTAB, it is suggested that train loads are arranged on half span and full span and take the direction of load entering bridge into account. Additionally, the deflection additional force variation of CFST basket handle arch bridge is different from that of ordinary bridge.

Halogen doping of II-VI semiconductors during molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Waag, A.; Litz, Th.; Fischer, F.; Heinke, H.; Scholl, S.; Hommel, D.; Landwehr, G. (Physikalisches Inst. der Univ. Wuerzburg (Germany)); Bilger, G. (Zentrum fuer Sonnenenergie und Wasserstoff-Forschung, Stuttgart (Germany))

1994-04-14

Results on the halogen doping of CdTe, (CdMn)Te as well as (CdMg)Te thin films and quantum well structures are reported. The structures were grown by molecular beam epitaxy. The samples have been investigated by Van der Pauw, photoconductivity, X-ray diffraction, XPS and SIMS measurements. ZnCl[sub 2] and ZnBr[sub 2] have been used as dopant sources. Free carrier concentrations at room temperature above 10[sup 18] cm[sup -3] can easily be achieved for CdTe for a wide range of Cd/Te flux ratios and substrate temperatures. In the ternary alloys, the free carrier concentration decreases drastically with increasing x-values, despite a constant incorporation of the dopant species. In addition, persistent photoconductivity has been observed in n-type doped ternary thin films at low temperatures. The decrease of the free carrier concentration with x-value is common to other wide-gap ternary alloys, and the reason for it is discussed in the frame of DX-like deep donor impurities in ternary II-VI compounds. In first experiments on planar halogen doping of CdTe, a doping level of 5x10[sup 18] cm[sup -3] could be reached in the doped regions, the highest value ever reported for CdTe. A clear influence of dopant incorporation on the structural quality of CdTe thin films has been seen even for dopant concentrations of as low as 10[sup 18] cm[sup -3]. The FWHM of the rocking curves decreased by a factor of 2 with increasing dopant incorporation. SIMS as well as XPS measurements demonstrate that the Cl/Zn and Br/Zn ratio in the doped films is 2/1, but no chemical shift corresponding to Zn-Cl or Zn-Br bonds could be detected. A model for the incorporation of the halogens is proposed on the basis of these results

Flue gas corrosion through halogen compounds in fuel gas

Energy Technology Data Exchange (ETDEWEB)

Eisenmann, R

1987-04-01

The halogens of chlorine and fluorine greatly influence the corrosion speed of metal materials. If small quantities of chlorinated and/or fluorinated hydrocarbons are present in fuel gas like in landfill gas, they must not result in enhanced corrosion of gas appliances. Data from literature and the initial results of tests run by the author indicate that quantities at about 10 mg/cbm (in terms of chlorine) can be assumed not to cause any noticeable acceleration of corrosion speed.

Environmental and economic implications of a shift to halogen-free printed wiring boards

Energy Technology Data Exchange (ETDEWEB)

Bergendahl, C.G.; Johansson, G.; Zackrisson, M. [IVF Industrial Research and Development Corp., Moelndal (Sweden); Lichtenvort, K. [Technical Univ. of Berlin (Germany); Nyyssoenen, J. [Aspocomp Oy, Salo (Finland)

2004-07-01

The 'Restriction of Hazardous Substances Directive' (RoHS) and the 'Waste from Electrical and Electronic Equipment Directive' (WEEE) enforced by the European Commission require new materials and processes to be implemented in the production of electrical and electronic equipment (EEE). In response to this, the project grEEEn (Cost Management System for greening Electrical and Electronic Equipment) was defined and carried out within the 5th framework programme of the EU. This paper presents the grEEEn method and the outcome of applying the method on a case study. The study addressed the material shift in printed wiring boards (PWBs), from the traditional FR4 material containing halogenated flame retardants to halogen-free FR4 materials. The paper presents the product, process and scenario modelling and the results from analysing costs, environmental profile and legal compliance. (orig.)

Optical modulation in nematic phase of halogen substituted hydrogen bonded liquid crystals

Science.gov (United States)

Vijayakumar, V. N.; Madhu Mohan, M. L. N.

2012-01-01

A series of halogen-substituted hydrogen-bonded liquid crystalline complexes have been designed and synthesised. A successful attempt has been made to form complementary hydrogen bonding between the dodecyloxy benzoic acid (12BAO) and halogen-substituted benzoic acids and the physical properties exhibited by the individual complexes are studied. The complexes obtained are analysed by polarising optical microscope (POM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and dielectric studies. The formation of complementary hydrogen bond is confirmed through FTIR spectra. An interesting feature of this series is the observation of a field-induced transition (FiT) in nematic phase. Another interesting phenomenon is the observation of a new smectic X phase (worm-like texture) in all the synthesised complexes. Dielectric relaxation studies in the smectic C phase of these hydrogen bonded complexes along with the Arrhenius and the Cole-Cole plots are discussed. Optical tilt angle in smectic C phase and the corresponding fitted data analysis concur with the Mean field theory prediction.

Hydrogenated and halogenated blue phosphorene as Dirac materials: A first principles study

International Nuclear Information System (INIS)

Sun, Minglei; Wang, Sake; Yu, Jin; Tang, Wencheng

2017-01-01

Highlights: • The fully hydrogenated and halogenated blue phosphorenes are 2D Dirac materials. • The Dirac cone in fluorinated and iodinated blue phosphorenes lies exactly at the Fermi level. • The mass density of hydrogenated and fluorinated blue phosphorenes is rather small. - Abstract: Using first-principles calculations, we systematically investigate the structures and electronic properties of fully hydrogenated and halogenated blue phosphorene (P_2X_2). All these systems possess Dirac cone at high-symmetry K point, which are mainly contributed by P s p_x p_y orbitals. The Dirac cone in P_2F_2 and P_2I_2 systems lies exactly at the Fermi level. Formation energy analysis denotes that all the systems are energetically stable except P_2I_2. The mass density for P_2H_2 and P_2F_2 systems is rather small. Our calculations proposed that these systems, especially P_2F_2 system, have great potential applications in future nanoelectronics.

Negative atomic halogens incident on argon and molecular nitrogen: electron detachment studies

International Nuclear Information System (INIS)

Jalbert, G; Medina, A; Magalhaes, S D; Wolff, W; Barros, A L F de; Carrilho, P; Rocha, A B; Faria, N V de Castro

2007-01-01

During the last years we have measured total detachment cross sections of atomic and cluster anions colliding with gases in the velocity range of 0.2 to 1.8 a.u. In particular, we measured negative atomic halogens incident on argon and molecular nitrogen. These last data are for the first time analyzed using the simple semi-classical model that we have developed. For that purpose, the values of elastic plus inelastic cross sections for impact of free electrons on Ar and N 2 , the latter showing a shape resonance, convoluted with the anion's outermost electron momentum distribution yielded the overall shape of the anion cross sections. Inclusion of a velocity independent additive term, interpreted as an effective area of the collision region, led to accurate absolute cross section values. The high affinity of the halogens and the existence of a not well described resonance in the e-N 2 collision, are characteristics that may be used to delimit the scope and validity of the model

Methods for producing single crystal mixed halide perovskites

Science.gov (United States)

Zhu, Kai; Zhao, Yixin

2017-07-11

An aspect of the present invention is a method that includes contacting a metal halide and a first alkylammonium halide in a solvent to form a solution and maintaining the solution at a first temperature, resulting in the formation of at least one alkylammonium halide perovskite crystal, where the metal halide includes a first halogen and a metal, the first alkylammonium halide includes the first halogen, the at least one alkylammonium halide perovskite crystal includes the metal and the first halogen, and the first temperature is above about 21.degree. C.

Phosphorylated lignin as a halogen-free flame retardant additive for epoxy composites

Science.gov (United States)

Gamini P. Mendis; Sydney G. Weiss; Matthew Korey; Charles R. Boardman; Mark Dietenberger; Jeffrey P. Youngblood; John A. Howarter

2016-01-01

Sustainable, non-halogenated flame retardants are desired for a variety of industry applications. Lignin, as an industrially processed wood derivative, has been examined as a potential sustainable flame retardant additive to polymer systems. Here, the lignin is phosphorylated using a pyridine-catalysed esterification reaction with diphenyl phosphoryl chloride to...

Diversity of band gap and photoluminescence properties of lead halide perovskite: A halogen-dependent spectroscopic study

Science.gov (United States)

Yu, Wenlei; Jiang, Yunfeng; Zhu, Xiuwei; Luo, Chunhua; Jiang, Kai; Chen, Liangliang; Zhang, Juan

2018-05-01

The effects of halogen substitution on microstructure, optical absorption, and phonon modes for perovskite CH3NH3PbX3 (MAPbX3, X = I/Br/Cl) films grown on FTO substrates have been investigated. The X-ray diffraction analysis exhibited good crystallization, and the strong diffraction peak assigned to (1 0 0) c for X = Br/Cl shifted toward a higher angle compared to (1 1 0) t of MAPbI3. Band-gap tuning from 1.63 to 2.37 to 3.11 eV in the I-Br-Cl series can be found due to the halogen effects. These energy values closely match the positions of peak determined from photoluminescence experiments. The remarkable absorption dip and emission peak appear for the MAPbBr3, suggesting higher crystallinity under the same preparation conditions. The wavenumbers of main IR-vibrations slightly decrease with ionic radius of the halogen increasing (in the order of Cl-Br-I), which related to the increasing polarizability. These results provide important progress towards the understanding of the halide role in the realization of high performance MAPbX3-based solar cells.

Natural elimination of volatile halogenated hydrocarbons from the environment

Energy Technology Data Exchange (ETDEWEB)

Harress, H.M.; Grathwohl, P.; Torunski, H.

1987-01-01

Recently carried out field investigations of groundwater contaminations with volatile halogenated hydrocarbons have shown evidence of natural elimination of these hazardous substances. This elimination effects is rare and observed in connection with special geological conditions. With regard to some contaminated sites, the following mechanisms for this behaviour are discussed: 1. Stripping by naturally ascending gases. 2. Sorption on soil organic matter. 3. Biodegradation. The so far compiled knowledge allowed to develop further research programmes, which are pursued in various projects.

Linking precious metal enrichment and halogen cycling in mafic magmatic systems: insights from the Rum layered intrusion, NW Scotland

Science.gov (United States)

Kelly, A. P.; O'Driscoll, B.; Clay, P. L.; Burgess, R.

2017-12-01

Layered intrusions host the world's largest known concentrations of the platinum-group elements (PGE). Emphasis has been attached to the role of halogen-bearing fluids in concentrating the precious metals, but whether this occurs at the magmatic stage, or via subsequent metasomatism, is actively debated. One obstacle to progress has been the analytical difficulty of measuring low abundances of the halogens in the cumulate products of layered intrusions. To elucidate the importance of the halogens in facilitating PGE-mineralisation, as well as fingerprint halogen provenance and assess the importance of halogen cycling in mafic magma systems more generally, a suite of samples encompassing different stages of activity of the Palaeogene Rum layered intrusion was investigated. Halogen abundances were measured by neutron irradiation noble gas mass spectrometric analysis, permitting the detection of relatively low (ppm-ppb) abundances of Cl, Br and I in mg-sized samples. The samples include PGE-enriched chromite seams, various cumulates (e.g., peridotites), picrites (approximating the Rum parental magma), and pegmatites representing volatile-rich melts that circulated the intrusion at a late-stage in its solidification history. The new data reveal that PGE-bearing chromite seams contain relatively low Cl concentrations (2-3 ppm), with high molar ratios of Br/Cl and I/Cl (0.005 and 0.009, respectively). The picrites and cumulates have Br/Cl and I/Cl ratios close to sub-continental lithospheric mantle values of approximately 0.0013 and 0.00002, respectively, and thus likely reflect the Rum magma source region. A positive correlation between Cl and Br signifies comparable partitioning behaviour in all samples. However, I is more variable, displaying a positive correlation with Cl for more primitive samples (e.g. picrite and peridotite), and seemingly decoupling from Br and Cl in chromite seams and pegmatites. The relative enrichment of I over Cl in the chromite seams points

Tumour radiosensitization with the halogenated pyrimidines 5'-bromo-and 5'-iododeoxyuridine

Energy Technology Data Exchange (ETDEWEB)

Epstein, A.H.; Cook, J.A.; Goffman, T. (National Cancer Inst., Bethesda, MD (United States)); Glatstein, E. (Texas Univ., Dallas, TX (United States). Southwestern Medical Center)

1993-02-01

The authors review studies of the use of iododeoxyuridine (IdUrd) and bromodeoxyuridine as radiosensitizers and attempt to correlate the clinical outcome for patients treated with radiation and IdUrd with the extent of halogenated pyrimidine cellular uptake and incorporation. (U.K.).

Molecular recognition of halogen-tagged aromatic VOCs at the air-silicon interface.

Science.gov (United States)

Condorelli, Guglielmo G; Motta, Alessandro; Favazza, Maria; Gurrieri, Ettore; Betti, Paolo; Dalcanale, Enrico

2010-01-14

Selective and reversible complexation of halogen-tagged aromatic VOCs by a quinoxaline cavitand-decorated Si surface is demonstrated. The specific host-guest interactions of the Si-bonded receptors are proved to be responsible of the surface recognition properties, while extracavity non specific adsorptions are totally suppressed compared to the bulk material.

High energy halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1979-February 14, 1980

International Nuclear Information System (INIS)

Rack, E.P.

1980-02-01

The program consists of six interrelated areas: (1) Reactions of iodine with alkenes and alkynes activated by radiative neutron capture and isomeric transition in low pressure gaseous systems employing additives and rare gas moderators, high pressure, and liquid systems. Special attention was given to the reactivity of excited complex formation and structural effects of electrophilic iodine attack on various pi-bond systems. (2) The gas-to-condensed phase transition in halogen high energy chemistry. Current interest involves the study of caging effects of an ice lattice on recombination reactions involving neutron-irradiated frozen aqueous solutions of halogenated organic and biochemical solutes in order to learn more about kinetic energy effects, halogen size, solute molecule size, steric effects and hydrogen bonding within an ice lattice cage. (3) Systematics of halogen hot atom reactions. The reactions of /sup 80m/Br, 80 Br, /sup 82m/Br + 82 Br, 82 Br, 82 Br, 128 I, 130 I, and /sup 130m/I + 130 I activated by radiative neutron capture or isomeric transition in hydrocarbons and halo-substituted alkanes in low pressure and high pressure gaseous systems employing additives and rare gas moderators are currently being studied. (4) Mathematical and computer simulation studies of caging events within an ice lattice are being investigated. (5) At Brookhaven National Laboratory, cyclotron-produced chlorine and fluorine hot atoms substitution reactions with molecules possessing a single chiral center are under investigation. (6) The applications of high energy techniques and concepts to neutron activation analysis for trace elements and trace molecule determinations in biological systems was continued

Halogen systematics in the Mallik 5L-38 gas hydrate production research well, Northwest Territories, Canada: Implications for the origin of gas hydrates under terrestrial permafrost conditions

International Nuclear Information System (INIS)

Tomaru, Hitoshi; Fehn, Udo; Lu, Zunli; Matsumoto, Ryo

2007-01-01

The authors report here halogen concentrations in pore waters and sediments collected from the Mallik 5L-38 gas hydrate production research well, a permafrost location in the Mackenzie Delta, Northwest Territories, Canada. Iodine and Br are commonly enriched in waters associated with CH 4 , reflecting the close association between these halogens and source organic materials. Pore waters collected from the Mallik well show I enrichment, by one order of magnitude above that of seawater, particularly in sandy layers below the gas hydrate stability zone (GHSZ). Although Cl and Br concentrations increase with depth similar to the I profile, they remain below seawater values. The increase in I concentrations observed below the GHSZ suggests that I-rich fluids responsible for the accumulation of CH 4 in gas hydrates are preferentially transported through the sandy permeable layers below the GHSZ. The Br and I concentrations and I/Br ratios in Mallik are considerably lower than those in marine gas hydrate locations, demonstrating a terrestrial nature for the organic materials responsible for the CH 4 at the Mallik site. Halogen systematics in Mallik suggest that they are the result of mixing between seawater, freshwater and an I-rich source fluid. The comparison between I/Br ratios in pore waters and sediments speaks against the origin of the source fluids within the host formations of gas hydrates, a finding compatible with the results from a limited set of 129 I/I ratios determined in pore waters, which gives a minimum age of 29 Ma for the source material, i.e. at the lower end of the age range of the host formations. The likely scenario for the gas hydrate formation in Mallik is the derivation of CH 4 together with I from the terrestrial source materials in formations other than the host layers through sandy permeable layers into the present gas hydrate zones

Bridges

NARCIS (Netherlands)

Zant, W.

2017-01-01

We estimate to what extent bridges in Mozambique lead to transport cost reductions and attribute these reductions to key determinants, in particular road distance, road quality and crossing borders. For identification we exploit the introduction of a road bridge over the Zambezi river, in August

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.

Degradation of halogenated aliphatic compounds by the ammonia- oxidizing bacterium Nitrosomonas europaea.

OpenAIRE

Vannelli, T; Logan, M; Arciero, D M; Hooper, A B

1990-01-01

Suspensions of Nitrosomonas europaea catalyzed the ammonia-stimulated aerobic transformation of the halogenated aliphatic compounds dichloromethane, dibromomethane, trichloromethane (chloroform), bromoethane, 1,2-dibromoethane (ethylene dibromide), 1,1,2-trichloroethane, 1,1,1-trichloroethane, monochloroethylene (vinyl chloride), gem-dichloroethylene, cis- and trans-dichloroethylene, cis-dibromoethylene, trichloroethylene, and 1,2,3-trichloropropane, Tetrachloromethane (carbon tetrachloride),...

Perspectives on halogen bonding and other sigma-hole interactions: Lex parsimoniae (Occam's Razor)

Czech Academy of Sciences Publication Activity Database

Politzer, P.; Riley, Kevin Eugene; Bulat, F. A.; Murray, J. S.

2012-01-01

Roč. 998, SI (2012), s. 2-8 ISSN 2210-271X Institutional research plan: CEZ:AV0Z40550506 Keywords : halogen bonding * alpha-Hole bonding * hydrogen bonding * electrostatics /polarization * dispersion * electrostatic potentials Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.139, year: 2012

Field performance of timber bridges. 4, Graves Crossing stress-laminated deck bridge

Science.gov (United States)

J. P. Wacker; M. A. Ritter

The Graves Crossing bridge was constructed October 1991 in Antrim County, Michigan, as part of the demonstration timber bridge program sponsored by the USDA Forest Service. The bridge is a two-span continuous, stress-laminated deck superstructure and it is 36-ft long and 26-ft wide. The bridge is one of the first stress-laminated deck bridges to be built of sawn lumber...

PATTERN RECOGNITION STUDIES OF HALOGENATED ORGANIC COMPOUNDS USING CONDUCTING POLYMER SENSOR ARRAYS. (R825323)

Science.gov (United States)

Direct measurement of volatile and semivolatile halogenated organic compounds of environmental interest was carried out using arrays of conducting polymer sensors. Mathematical expressions of the sensor arrays using microscopic polymer network model is described. A classical, non...

Myocardial Bridging

Directory of Open Access Journals (Sweden)

Shi-Min Yuan

2016-02-01

Full Text Available Abstract Myocardial bridging is rare. Myocardial bridges are most commonly localized in the middle segment of the left anterior descending coronary artery. The anatomic features of the bridges vary significantly. Alterations of the endothelial morphology and the vasoactive agents impact on the progression of atherosclerosis of myocardial bridging. Patients may present with chest pain, myocardial infarction, arrhythmia and even sudden death. Patients who respond poorly to the medical treatment with β-blockers warrant a surgical intervention. Myotomy is a preferred surgical procedure for the symptomatic patients. Coronary stent deployment has been in limited use due to the unsatisfactory long-term results.

The hepatic bridge.

Science.gov (United States)

Sugarbaker, Paul H

2018-07-01

The hepatic bridge forms a tunnel of liver parenchyma that may obscure peritoneal metastases associated with the round ligament. Visualization and then resection of nodules associated with this structure is necessary. The incidence of a hepatic bridge and the extent that it covered the round ligament was determined in consecutive patients. Extent of coverage of the round ligament by the hepatic bridge was determined: Class 1 indicates up to one-third of the round ligament obscured, Class 2 up to two-thirds and Class 3 more than two-thirds. In 102 patients in whom the round ligament of the liver could be completely visualized, 50 had a hepatic bridge. Class 1 was 22 (44%) of the bridges, Class 2 was 16 (32%) and Class 3 was 12 (24%). A hepatic bridge was more frequently present in 28 of 45 male patients (62%) vs. 22 of 57 female patients (38%). Approximately one-half of our patients having cytoreductive surgery for peritoneal metastases were observed to have a hepatic bridge. Up to 56% of these patients have Class 2 or 3 hepatic bridge and may require division of the hepatic bridge to completely visualize the contents of the tunnel created by this structure. Copyright © 2018 Elsevier Ltd, BASO ~ The Association for Cancer Surgery, and the European Society of Surgical Oncology. All rights reserved.

Study on the dynamics of halogen elements in the agro-environment and these element`s deficiency, toxicity and environmental hazards by the application of the neutron activation analysis method

Energy Technology Data Exchange (ETDEWEB)

Yuita, Kouichi [National Inst. of Agro-Environmental Sciences, Tsukuba, Ibaraki (Japan)

1998-03-01

A neutron activation analysis method is an accurate and highly sensitive method for analyzing halogen elements (iodine, bromine and chlorine) except fluorine. It is unsubstitutable and valuable method especially for iodine (including radioactive {sup 129}I) and bromine which are present at lower levels. Halogen elements have high chemical and physiological activities and move widely in the environment. As a result, deficiency and an excess of halogen elements in plants and animals have occurred and artificial halogen compounds have caused environmental pollution in wide areas. We efficiently utilized the neutron activation analysis method and an activable tracer method to obtain valuable findings which contribute to the clarification of and measures against these actual problems and which are also concerned with the occurrence, distribution and migration of halogen elements in the environment, especially agricultural and forestry ecosystems in space and in time. (author)

Bridge resource program.

Science.gov (United States)

2013-09-01

The mission of Rutgers Universitys Center for Advanced Infrastructure and Transportation (CAIT) Bridge Resource Program (BRP) is to provide bridge engineering support to the New Jersey Department of Transportation (NJDOT)s Bridge Engineering an...

Bridged graphite oxide materials

Science.gov (United States)

Herrera-Alonso, Margarita (Inventor); McAllister, Michael J. (Inventor); Aksay, Ilhan A. (Inventor); Prud'homme, Robert K. (Inventor)

2010-01-01

Bridged graphite oxide material comprising graphite sheets bridged by at least one diamine bridging group. The bridged graphite oxide material may be incorporated in polymer composites or used in adsorption media.

Laboratory and field testing of an accelerated bridge construction demonstration bridge : US Highway 6 bridge over Keg Creek.

Science.gov (United States)

2013-04-01

The US Highway 6 Bridge over Keg Creek outside of Council Bluffs, Iowa is a demonstration bridge site chosen to put into practice : newly-developed Accelerated Bridge Construction (ABC) concepts. One of these new concepts is the use of prefabricated ...

Low molecular weight halogenated hydrocarbons (LMHHs) in Mediterranean sea water: Preliminary observations

International Nuclear Information System (INIS)

Elder, D.L.; Villeneuve, J.P.; Harvey, G.R.

1976-01-01

Halogenated organic compounds containing 1-3 carbon atoms are among the most extensively produced synthetic chemicals. Within this group of compounds are solvents such as chloroform, carbon tetrachloride, trichloroethane and the chlorofluoro carbons or freons which are used as refrigerants and aerosol sprays. Once produced many of these compounds are eventually released to the environment

Guardrails for Use on Historic Bridges: Volume 2—Bridge Deck Overhang Design

OpenAIRE

Frosch, Robert J.; Morel, Adam J.

2016-01-01

Bridges that are designated historic present a special challenge to bridge engineers whenever rehabilitation work or improvements are made to the bridges. Federal and state laws protect historically significant bridges, and railings on these bridges can be subject to protection because of the role they play in aesthetics. Unfortunately, original railings on historic bridges do not typically meet current crash-test requirements and typically do not meet current standards for railing height and...

Rearrangements in the halogenation of tetraalkylethylenes with N-halosuccinimides and tert-butyl hypochlorite

NARCIS (Netherlands)

Meijer, E.W.; Kellogg, R.M.; Wynberg, H.

1982-01-01

The reaction of N-halosuccinimides and Me3COCl with tetraalkylethylenes involves halo-cation addn. to the double bond in a fast reaction, followed by abstraction of an allylic proton, resulting in a double bond shift. Homoallylic halogenation occurs in tetraalkylethylenes which can not undergo a

Hydrogenated and halogenated blue phosphorene as Dirac materials: A first principles study

Energy Technology Data Exchange (ETDEWEB)

Sun, Minglei [School of Mechanical Engineering, Southeast University, Nanjing, Jiangsu 211189 (China); Wang, Sake [Department of Physics, Southeast University, Nanjing, Jiangsu 210096 (China); Yu, Jin [School of Materials Science and Engineering, Southeast University, Nanjing, Jiangsu 211189 (China); Tang, Wencheng, E-mail: 101000185@seu.edu.cn [School of Mechanical Engineering, Southeast University, Nanjing, Jiangsu 211189 (China)

2017-01-15

Highlights: • The fully hydrogenated and halogenated blue phosphorenes are 2D Dirac materials. • The Dirac cone in fluorinated and iodinated blue phosphorenes lies exactly at the Fermi level. • The mass density of hydrogenated and fluorinated blue phosphorenes is rather small. - Abstract: Using first-principles calculations, we systematically investigate the structures and electronic properties of fully hydrogenated and halogenated blue phosphorene (P{sub 2}X{sub 2}). All these systems possess Dirac cone at high-symmetry K point, which are mainly contributed by P s p{sub x} p{sub y} orbitals. The Dirac cone in P{sub 2}F{sub 2} and P{sub 2}I{sub 2} systems lies exactly at the Fermi level. Formation energy analysis denotes that all the systems are energetically stable except P{sub 2}I{sub 2}. The mass density for P{sub 2}H{sub 2} and P{sub 2}F{sub 2} systems is rather small. Our calculations proposed that these systems, especially P{sub 2}F{sub 2} system, have great potential applications in future nanoelectronics.

Evaluation of wear rate of dental composites polymerized by halogen or LED light curing units

Directory of Open Access Journals (Sweden)

Alaghehmand H.

2006-08-01

Full Text Available Background and Aim: Sufficient polymerization is a critical factor to obtain optimum physical properties and clinical efficacy of resin restorations. The aim of this study was to evaluate wear rates of composite resins polymerized by two different systems Light Emitting Diodes (LED to and Halogen lamps. Materials and Methods: In this laboratory study, 20 specimens of A3 Tetric Ceram composite were placed in brass molds of 2*10*10 mm dimensions and cured for 40 seconds with 1 mm distance from surface. 10 specimens were cured with LED and the other 10 were cured with Halogen unit. A device with the ability to apply force was developed in order to test the wear of composites. After storage in distilled water for 10 days, the specimens were placed in the wear testing machine. A chrome cobalt stylus with 1.12 mm diameter was applied against the specimens surfaces with a load of 2 kg. The weight of each samples before and after 5000, 10000, 20000, 40000, 80000 and 120000 cycles was measured using an electronic balance with precision of 10-4 grams. Data were analyzed using t test and paired t test. P0.05. Conclusion: Based on the results of this study, LED and halogen light curing units resulted in a similar wear rate in composite resin restorations.

Mixed Waste Working Group report

International Nuclear Information System (INIS)

1993-01-01

The treatment of mixed waste remains one of this country's most vexing environmental problems. Mixed waste is the combination of radioactive waste and hazardous waste, as defined by the Resource Conservation and Recovery Act (RCRA). The Department of Energy (DOE), as the country's largest mixed waste generator, responsible for 95 percent of the Nation's mixed waste volume, is now required to address a strict set of milestones under the Federal Facility Compliance Act of 1992. DOE's earlier failure to adequately address the storage and treatment issues associated with mixed waste has led to a significant backlog of temporarily stored waste, significant quantities of buried waste, limited permanent disposal options, and inadequate treatment solutions. Between May and November of 1993, the Mixed Waste Working Group brought together stakeholders from around the Nation. Scientists, citizens, entrepreneurs, and bureaucrats convened in a series of forums to chart a course for accelerated testing of innovative mixed waste technologies. For the first time, a wide range of stakeholders were asked to examine new technologies that, if given the chance to be tested and evaluated, offer the prospect for better, safer, cheaper, and faster solutions to the mixed waste problem. In a matter of months, the Working Group has managed to bridge a gap between science and perception, engineer and citizen, and has developed a shared program for testing new technologies

EVALUATION OF THE BRIDGING COURSE OFFERED AT A UNIVERSITY TO FOREIGN STUDENTS: BATCHES OF 2012 AND 2013

OpenAIRE

Beatriz Eugenia Orantes Perez; Djemari Mardapi

2015-01-01

This evaluation was a case study of the bridging language program offered at YSU to KNB students, it evaluated the generations 2012/2013. The focus of this evaluation was to evaluate the strengths and weaknesses of the bridging program. This was a summative evaluation used the CIPP method. It was a pragmatic parallel mix-method design research. The analysis technique was descriptive for the qualitative data; and it was descriptive statistical for the quantitative data; Triangulation was used....

Steam Reforming of Low-Level Mixed Waste

Energy Technology Data Exchange (ETDEWEB)

None

1998-01-01

Under DOE Contract No. DE-AR21-95MC32091, Steam Reforming of Low-Level Mixed Waste, ThermoChem has successfully designed, fabricated and operated a nominal 90 pound per hour Process Development Unit (PDU) on various low-level mixed waste surrogates. The design construction, and testing of the PDU as well as performance and economic projections for a 500- lb/hr demonstration and commercial system are described. The overall system offers an environmentally safe, non-incinerating, cost-effective, and publicly acceptable method of processing LLMW. The steam-reforming technology was ranked the No. 1 non-incineration technology for destruction of hazardous organic wastes in a study commissioned by the Mixed Waste Focus Area published April 1997.1 The ThermoChem steam-reforming system has been developed over the last 13 years culminating in this successful test campaign on LLMW surrogates. Six surrogates were successfidly tested including a 750-hour test on material simulating a PCB- and Uranium- contaminated solid waste found at the Portsmouth Gaseous Diffusion Plant. The test results indicated essentially total (>99.9999oA) destruction of RCRA and TSCA hazardous halogenated organics, significant levels of volume reduction (> 400 to 1), and retention of radlonuclides in the volume-reduced solids. Cost studies have shown the steam-reforming system to be very cost competitive with more conventional and other emerging technologies.

Control of aliphatic halogenated DBP precursors with multiple drinking water treatment processes: Formation potential and integrated toxicity.

Science.gov (United States)

Zhang, Yimeng; Chu, Wenhai; Yao, Dechang; Yin, Daqiang

2017-08-01

The comprehensive control efficiency for the formation potentials (FPs) of a range of regulated and unregulated halogenated disinfection by-products (DBPs) (including carbonaceous DBPs (C-DBPs), nitrogenous DBPs (N-DBPs), and iodinated DBPs (I-DBPs)) with the multiple drinking water treatment processes, including pre-ozonation, conventional treatment (coagulation-sedimentation, pre-sand filtration), ozone-biological activated carbon (O 3 -BAC) advanced treatment, and post-sand filtration, was investigated. The potential toxic risks of DBPs by combing their FPs and toxicity values were also evaluated. The results showed that the multiple drinking water treatment processes had superior performance in removing organic/inorganic precursors and reducing the formation of a range of halogenated DBPs. Therein, ozonation significantly removed bromide and iodide, and thus reduced the formation of brominated and iodinated DBPs. The removal of organic carbon and nitrogen precursors by the conventional treatment processes was substantially improved by O 3 -BAC advanced treatment, and thus prevented the formation of chlorinated C-DBPs and N-DBPs. However, BAC filtration leads to the increased formation of brominated C-DBPs and N-DBPs due to the increase of bromide/DOC and bromide/DON. After the whole multiple treatment processes, the rank order for integrated toxic risk values caused by these halogenated DBPs was haloacetonitriles (HANs)≫haloacetamides (HAMs)>haloacetic acids (HAAs)>trihalomethanes (THMs)>halonitromethanes (HNMs)≫I-DBPs (I-HAMs and I-THMs). I-DBPs failed to cause high integrated toxic risk because of their very low FPs. The significant higher integrated toxic risk value caused by HANs than other halogenated DBPs cannot be ignored. Copyright © 2017. Published by Elsevier B.V.

Dynamic assessment of bridge deck performance considering realistic bridge-traffic interaction

Science.gov (United States)

2017-09-01

Concrete bridge decks are directly exposed to daily traffic loads and may experience some surface cracking caused by excessive stress or fatigue accumulation, which requires repair or replacement. Among typical bridges in North America, bridge decks ...

Crystallochemical analysis of rare-earth halogen-containing π-complexes

International Nuclear Information System (INIS)

Blatova, O.A.; Blatov, V.A.; Serezhkin, V.N.

2001-01-01

Dependence of the size of Ln atom action in coordination polyhedrons LnC n X m (X = F, Cl, Br) on its nature, coordination number, oxidation state and number of Ln-X bonds, was studied using 96 halogen-containing π-complexes of rare earth and yttrium (Ln) by way of example. A method of estimating ligand sizes in coordination sphere using the Voronoi-Dirichlet molecular polyhedrons was suggested. Influence of the ligands sizes on stability of π-complexes and presence of specific interactions in their structure was analyzed [ru

Impacts of halogen additions on mercury oxidation, in a slipstream selective catalyst reduction (SCR), reactor when burning sub-bituminous coal.

Science.gov (United States)

Cao, Yan; Gao, Zhengyang; Zhu, Jiashun; Wang, Quanhai; Huang, Yaji; Chiu, Chengchung; Parker, Bruce; Chu, Paul; Pant, Wei-Ping

2008-01-01

This paper presents a comparison of impacts of halogen species on the elemental mercury (Hg(0)) oxidation in a real coal-derived flue gas atmosphere. It is reported there is a higher percentage of Hg(0) in the flue gas when burning sub-bituminous coal (herein Powder River Basin (PRB) coal) and lignite, even with the use of selective catalytic reduction (SCR). The higher Hg(0)concentration in the flue gas makes it difficult to use the wet-FGD process for the mercury emission control in coal-fired utility boilers. Investigation of enhanced Hg(0) oxidation by addition of hydrogen halogens (HF, HCl, HBr, and HI) was conducted in a slipstream reactor with and without SCR catalysts when burning PRB coal. Two commercial SCR catalysts were evaluated. SCR catalyst no. 1 showed higher efficiencies of both NO reduction and Hg(0) oxidation than those of SCR catalyst no. 2. NH3 addition seemed to inhibit the Hg(0) oxidation, which indicated competitive processes between NH3 reduction and Hg(0) oxidation on the surface of SCR catalysts. The hydrogen halogens, in the order of impact on Hg(0) oxidation, were HBr, HI, and HCl or HF. Addition of HBr at approximately 3 ppm could achieve 80% Hg(0) oxidation. Addition of HI at approximately 5 ppm could achieve 40% Hg(0) oxidation. In comparison to the empty reactor, 40% Hg(0) oxidation could be achieved when HCl addition was up to 300 ppm. The enhanced Hg(0) oxidation by addition of HBr and HI seemed not to be correlated to the catalytic effects by both evaluated SCR catalysts. The effectiveness of conversion of hydrogen halogens to halogen molecules or interhalogens seemed to be attributed to their impacts on Hg(0) oxidation.

Cable Supported Bridges

DEFF Research Database (Denmark)

Gimsing, Niels Jørgen

Cable supported bridges in the form of suspension bridges and cable-stayed bridges are distinguished by their ability to overcome large spans.The book concentrates on the synthesis of cable supported bridges, covering both design and construction aspects. The analytical part covers simple methods...... to quantify the different structural configurations and allows a preliminary optimization of the main structure.Included are the most recent advances in structural design, corrosion protection of cables, aerodynamic safety, and erection procedures....

Halogen bonding from a hard and soft acids and bases perspective: investigation by using density functional theory reactivity indices.

Science.gov (United States)

Pinter, Balazs; Nagels, Nick; Herrebout, Wouter A; De Proft, Frank

2013-01-07

Halogen bonds between the trifluoromethyl halides CF(3)Cl, CF(3)Br and CF(3)I, and dimethyl ether, dimethyl sulfide, trimethylamine and trimethyl phosphine were investigated using Pearson's hard and soft acids and bases (HSAB) concept with conceptual DFT reactivity indices, the Ziegler-Rauk-type energy-decomposition analysis, the natural orbital for chemical valence (NOCV) framework and the non-covalent interaction (NCI) index. It is found that the relative importance of electrostatic and orbital (charge transfer) interactions varies as a function of both the donor and acceptor molecules. Hard and soft interactions were distinguished and characterised by atomic charges, electrophilicity and local softness indices. Dual-descriptor plots indicate an orbital σ hole on the halogen similar to the electrostatic σ hole manifested in the molecular electrostatic potential. The predicted high halogen-bond-acceptor affinity of N-heterocyclic carbenes was evidenced in the highest complexation energy for the hitherto unknown CF(3) I·NHC complex. The dominant NOCV orbital represents an electron-density deformation according to a n→σ*-type interaction. The characteristic signal found in the reduced density gradient versus electron-density diagram corresponds to the non-covalent interaction between contact atoms in the NCI plots, which is the manifestation of halogen bonding within the NCI theory. The unexpected C-X bond strengthening observed in several cases was rationalised within the molecular orbital framework. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bridge Programs in Illinois: Results of the 2010 Illinois Bridge Status Survey

Science.gov (United States)

Taylor, J. L.; Harmon, T.

2010-01-01

This report provides a summary of major results of the Illinois Bridge Status Survey, administered online between April and June 2010. The purpose of the survey was to understand the extent to which bridge programs are being implemented in Illinois, as well as to build an online directory of bridge programs. Bridge programs are an emerging…

Field performance of timber bridges. 6, Hoffman Run stress-laminated deck bridge

Science.gov (United States)

M. A. Ritter; P. D. Hilbrich Lee; G. J. Porter

The Hoffman Run bridge, located just outside Dahoga, Pennsylvania, was constructed in October 1990. The bridge is a simple-span, single-lane, stress-laminated deck superstructure that is approximately 26 ft long and 16 ft wide. It is the second stress-laminated timber bridge to be constructed of hardwood lumber in Pennsylvania. The performance of the bridge was...

Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory

International Nuclear Information System (INIS)

Bolognesi, P.; O'Keeffe, P.; Ovcharenko, Y.; Coreno, M.; Avaldi, L.; Feyer, V.; Plekan, O.; Prince, K. C.; Zhang, W.; Carravetta, V.

2010-01-01

The inner shell excitation of pyrimidine and some halogenated pyrimidines near the C and N K-edges has been investigated experimentally by near edge x-ray absorption fine structure spectroscopy and theoretically by density functional theory calculations. The selected targets, 5-Br-pyrimidine, 2-Br-pyrimidine, 2-Cl-pyrimidine, and 5-Br-2-Cl-pyrimidine, allow the effects of the functionalization of the pyrimidine ring to be studied either as a function of different halogen atoms bound to the same molecular site or as a function of the same halogen atom bound to different molecular sites. The results show that the individual characteristics of the different spectra of the substituted pyrimidines can be rationalized in terms of variations in electronic and geometrical structures of the molecule depending on the localization and the electronegativity of the substituent.

Drill pipe bridge plug

International Nuclear Information System (INIS)

Winslow, D.W.; Brisco, D.P.

1991-01-01

This patent describes a method of stopping flow of fluid up through a pipe bore of a pipe string in a well. It comprises: lowering a bridge plug apparatus on a work string into the pipe string to a position where the pipe bore is to be closed; communicating the pipe bore below a packer of the bridge plug apparatus through the bridge plug apparatus with a low pressure zone above the packer to permit the fluid to flow up through the bridge plug apparatus; engaging the bridge plug apparatus with an internal upset of the pipe string; while the fluid is flowing up through the bridge plug apparatus, pulling upward on the work string and the bridge plug apparatus and thereby sealing the packer against the pipe bore; isolating the pipe bore below the packer from the low pressure zone above the packer and thereby stopping flow of the fluid up through the pipe bore; disconnecting the work string from the bridge plug apparatus; and maintaining the bridge plug apparatus in engagement with the internal upset and sealed against the pipe bore due to an upward pressure differential applied to the bridge plug apparatus by the fluid contained therebelow

Evaluation of streambed scour at bridges over tidal waterways in Alaska

Science.gov (United States)

Conaway, Jeffrey S.; Schauer, Paul V.

2012-01-01

The potential for streambed scour was evaluated at 41 bridges that cross tidal waterways in Alaska. These bridges are subject to several coastal and riverine processes that have the potential, individually or in combination, to induce streambed scour or to damage the structure or adjacent channel. The proximity of a bridge to the ocean and water-surface elevation and velocity data collected over a tidal cycle were criteria used to identify the flow regime at each bridge, whether tidal, riverine, or mixed, that had the greatest potential to induce streambed scour. Water-surface elevations measured through at least one tide cycle at 32 bridges were correlated to water levels at the nearest tide station. Asymmetry of the tidal portion of the hydrograph during the outgoing tide at 12 bridges indicated that riverine flows were stored upstream of the bridge during the tidal exchange. This scenario results in greater discharges and velocities during the outgoing tide compared to those on the incoming tide. Velocity data were collected during outgoing tides at 10 bridges that experienced complete flow reversals, and measured velocities during the outgoing tide exceeded the critical velocity required to initiate sediment transport at three sites. The primary risk for streambed scour at most of the sites considered in this study is from riverine flows rather than tidal fluctuations. A scour evaluation for riverine flow was completed at 35 bridges. Scour from riverine flow was not the primary risk for six tidally-controlled bridges and therefore not evaluated at those sites. Field data including channel cross sections, a discharge measurement, and a water-surface slope were collected at the 35 bridges. Channel instability was identified at 14 bridges where measurable scour and or fill were noted in repeated surveys of channel cross sections at the bridge. Water-surface profiles for the 1-percent annual exceedance probability discharge were calculated by using the Hydrologic

Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

Science.gov (United States)

Yin, Bing; Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li; Wen, Zhen-Yi; Jiang, Zhen-Yi

2014-03-01

The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg2(CN)5]- clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN-1 were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties.

Bridging Anticoagulation

Science.gov (United States)

... clinical centers in the United States, Canada, and Brazil. A more detailed description of the study is ... Your Personal Message Send Message Share on Social Media Bridging Anticoagulation The BRIDGE Study Investigators Circulation. 2012; ...

Degradation of halogenated aliphatic compounds by the ammonia- oxidizing bacterium Nitrosomonas europaea.

Science.gov (United States)

Vannelli, T; Logan, M; Arciero, D M; Hooper, A B

1990-01-01

Suspensions of Nitrosomonas europaea catalyzed the ammonia-stimulated aerobic transformation of the halogenated aliphatic compounds dichloromethane, dibromomethane, trichloromethane (chloroform), bromoethane, 1,2-dibromoethane (ethylene dibromide), 1,1,2-trichloroethane, 1,1,1-trichloroethane, monochloroethylene (vinyl chloride), gem-dichloroethylene, cis- and trans-dichloroethylene, cis-dibromoethylene, trichloroethylene, and 1,2,3-trichloropropane, Tetrachloromethane (carbon tetrachloride), tetrachloroethylene (perchloroethylene), and trans-dibromoethylene were not degraded. PMID:2339874

21 CFR 700.15 - Use of certain halogenated salicylanilides as ingredients in cosmetic products.

Science.gov (United States)

2010-04-01

... ingredients in cosmetic products. 700.15 Section 700.15 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) COSMETICS GENERAL Requirements for Specific Cosmetic Products § 700.15 Use of certain halogenated salicylanilides as ingredients in cosmetic products. (a...

Research on construction technology for orthotropic steel deck pavement of Haihe River Chunyi Bridge

Science.gov (United States)

Xue, Y. C.; Qian, Z. D.; Zhang, M.

2017-01-01

In order to ensure the good service quality of orthotropic steel deck pavement of Haihe River Chunyi Bridge in Tianjin, and to reduce the occurrence of pavement diseases like lateral and longitudinal cracks, the key working procedures such as steel deck cleaning, anticorrosive coating, bonding layer spraying, seam cutting, epoxy asphalt concrete’s mixing, transportation, paving and compaction were studied. The study was based on the main features of epoxy asphalt concrete which is the pavement materials of Haihe River Chunyi Bridge, and combined with the basic characteristics and construction conditions of Haihe River Chunyi Bridge. Furthermore, some processing measures like controlling time and temperature, continuous paving with two pavers, lateral feeding, and improving the compaction method were proposed. The project example shows that the processing measures can effectively solve the technical difficulties in the construction of orthotropic steel deck pavement of Haihe River Chunyi Bridge, can greatly improve the construction speed and quality, and can provide reference for the same kinds of orthotropic steel deck pavement construction.

Bridging the Gap

DEFF Research Database (Denmark)

Kramer Overgaard, Majken; Broeng, Jes; Jensen, Monika Luniewska

Bridging the Gap (BtG) is a 2-year project funded by The Danish Industry Foundation. The goal of Bridging the Gap has been to create a new innovation model which will increase the rate at which Danish universities can spinout new technology ventures.......Bridging the Gap (BtG) is a 2-year project funded by The Danish Industry Foundation. The goal of Bridging the Gap has been to create a new innovation model which will increase the rate at which Danish universities can spinout new technology ventures....

Ab initio study of weakly bound halogen complexes: RX⋯PH3.

Science.gov (United States)

Georg, Herbert C; Fileti, Eudes E; Malaspina, Thaciana

2013-01-01

Ab initio calculations were employed to study the role of ipso carbon hybridization in halogenated compounds RX (R=methyl, phenyl, acetyl, H and X=F, Cl, Br and I) and its interaction with a phosphorus atom, as occurs in the halogen bonded complex type RX⋯PH3. The analysis was performed using ab initio MP2, MP4 and CCSD(T) methods. Systematic energy analysis found that the interaction energies are in the range -4.14 to -11.92 kJ mol(-1) (at MP2 level without ZPE correction). Effects of electronic correlation levels were evaluated at MP4 and CCSD(T) levels and a reduction of up to 27% in interaction energy obtained in MP2 was observed. Analysis of the electrostatic maps confirms that the PhCl⋯PH3 and all MeX⋯PH3 complexes are unstable. NBO analysis suggested that the charge transfer between the moieties is bigger when using iodine than bromine and chlorine. The electrical properties of these complexes (dipole and polarizability) were determined and the most important observed aspect was the systematic increase at the dipole polarizability, given by the interaction polarizability. This increase is in the range of 0.7-6.7 u.a. (about 3-7%).

Parent and halogenated polycyclic aromatic hydrocarbons in rice and implications for human health in China

International Nuclear Information System (INIS)

Ding Chao; Ni Honggang; Zeng Hui

2012-01-01

Rice is the staple food for approximate two thirds of the Chinese population. However, human exposure to parent and halogenated polycyclic aromatic hydrocarbons (PAHs) via rice consumption is still not clear for Chinese people so far. The goals of this work are to assess human exposure to PAHs and halogenated PAHs (HPAHs) via rice ingestion and the cancer risk for Chinese population. 16 PAHs and eight HPAHs were determined in rice samples collected from 18 provinces in China. In general terms, the general population in China was exposed to higher levels of PAHs via rice ingestion in comparison to that via cereals for other countries. The cancer risk values induced by exposure to PAHs and HPAHs for male and female on each age group were between the priority risk level (10 −4 ) and the acceptable risk level (10 −6 ). Children faced the highest cancer risk, followed by adolescents and adults. - Highlights: ► Dietary exposure to PAHs via rice ingestion for Chinese population was higher than that via cereals in other countries. ► The cancer risk induced by PAHs and HPAHs intakes via rice consumption were between 10 −6 and 10 −4 . ► Children faced the highest cancer risk, followed by adolescents and adults. ► Given all exposure routes were considered, the real cancer risk for Chinese people would be greater. - Human exposure to parent and halogenated PAHs via rice ingestion and the cancer risk for Chinese population were assessed.

Long Span Bridges in Scandinavia

DEFF Research Database (Denmark)

Gimsing, Niels Jørgen

1998-01-01

The first Scandinavian bridge with a span of more than 500 m was the Lillebælt Suspension Bridge opened to traffic in 1970.Art the end of the 20th century the longest span of any European bridge is found in the Storebælt East Bridge with a main span of 1624 m. Also the third longest span in Europe...... is found in Scandinavia - the 1210 m span of the Höga Kusten Bridge in Sweden.The Kvarnsund Bridge in Norway was at the completion in 1991 the longest cable-stayed bridge in the world, and the span of 530 m is still thge longest for cable-stayed bridges in concrete. The Øresund Bridge with its sapn of 490...

Integral Abutment and Jointless Bridges

Directory of Open Access Journals (Sweden)

Cristian-Claudiu Comisu

2005-01-01

Full Text Available Integral bridges, or integral abutment and jointless bridges, as they are more commonly known in the USA, are constructed without any movement joints between spans or between spans and abutments. Typically these bridges have stub-type abutments supported on piles and continuous bridge deck from one embankment to the other. Foundations are usually designed to be small and flexible to facilitate horizontal movement or rocking of the support. Integrally bridges are simple or multiple span ones that have their superstructure cast integrally with their substructure. The jointless bridges cost less to construct and require less maintenance then equivalent bridges with expansion joints. Integral bridges present a challenge for load distribution calculations because the bridge deck, piers, abutments, embankments and soil must all be considered as single compliant system. This paper presents some of the important features of integral abutment and jointless bridge design and some guidelines to achieve improved design. The goal of this paper is to enhance the awareness among the engineering community to use integral abutment and jointless bridges in Romania.

Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds

Directory of Open Access Journals (Sweden)

Pierre Baillargeon

2016-04-01

Full Text Available Isomorphous crystals of two diacetylene derivatives with carbamate functionality (BocNH-CH2-diyne-X, where X = H or Br have been obtained. The main feature of these structures is the original 2D arrangement (as supramolecular sheets or walls in which the H bond and halogen bond have a prominent effect on the whole architecture. The two diacetylene compounds harbor neighboring carbamate (Boc protected amine and conjugated alkyne functionalities. They differ only by the nature of the atom located at the penultimate position of the diyne moiety, either a hydrogen atom or a bromine atom. Both of them adopt very similar 2D wall organizations with antiparallel carbamates (as in antiparallel beta pleated sheets. Additional weak interactions inside the same walls between molecular bricks are H bond interactions (diyne-H···O=C or halogen bond interactions (diyne-Br···O=C, respectively. Based on crystallographic atom coordinates, DFT (B3LYP/6-31++G(d,p and DFT (M06-2X/6-31++G(d,p calculations were performed on these isostructural crystals to gain insight into the intermolecular interactions.

Distributions of alkali metals, alkaline earth metals and halogens in cabbage leaves

International Nuclear Information System (INIS)

Tsukada, Hirofumi; Takeda, Akira; Hasegawa, Hidenao

2007-01-01

The distributions of stable elements in plant components provide useful information for understanding the behavior of radionuclides in plants. An entire cabbage plant sample was collected from an experimental field, and the distributions of alkali metals (K, Rb and Cs), alkaline earth metals (Ca, Sr and Ba) and halogens (Cl and I) were determined for cabbage leaves at different positions. The concentration of Cs in outer (older) cabbage leaves was higher than that in inner (younger) leaves, but the distributions of K and Rb concentrations were relatively similar in cabbage leaves, independent of leaf positions. The concentration of Sr in older cabbage leaves was one order of magnitude higher than that in younger leaves. The distributions of Ca, Ba and Sr concentrations in the plant followed a similar pattern. The concentrations of halogens were also very rich in the outer leaves. The percentage distributions of Cs, Sr, Cl and I in the inedible (extreme outer) leaves were 77, 91, 93 and 96% of the total content in the leaf part, respectively. These results show that the inedible plant components are important for understanding the transfer of the radioactive Cs, Sr Cl and I in soil-plant systems. (author)

Tannins and Tannin-Related Derivatives Enhance the (Pseudo-)Halogenating Activity of Lactoperoxidase.

Science.gov (United States)

Gau, Jana; Prévost, Martine; Van Antwerpen, Pierre; Sarosi, Menyhárt-Botond; Rodewald, Steffen; Arnhold, Jürgen; Flemmig, Jörg

2017-05-26

Several hydrolyzable tannins, proanthocyanidins, tannin derivatives, and a tannin-rich plant extract of tormentil rhizome were tested for their potential to regenerate the (pseudo-)halogenating activity, i.e., the oxidation of SCN - to hypothiocyanite - OSCN, of lactoperoxidase (LPO) after hydrogen peroxide-mediated enzyme inactivation. Measurements were performed using 5-thio-2-nitrobenzoic acid in the presence of tannins and related substances in order to determine kinetic parameters and to trace the LPO-mediated - OSCN formation. The results were combined with docking studies and molecular orbital analysis. The - OSCN-regenerating effect of tannin derivatives relates well with their binding properties toward LPO as well as their occupied molecular orbitals. Especially simple compounds like ellagic acid or methyl gallate and the complex plant extract were found as potent enzyme-regenerating compounds. As the (pseudo-)halogenating activity of LPO contributes to the maintenance of oral bacterial homeostasis, the results provide new insights into the antibacterial mode of action of tannins and related compounds. Furthermore, chemical properties of the tested compounds that are important for efficient enzyme-substrate interaction and regeneration of the - OSCN formation by LPO were identified.

Halogenating reaction activity of aromatic organic compounds during disinfection of drinking water

International Nuclear Information System (INIS)

Guo Gaimei; Chen Xiaodong

2009-01-01

The halogenating reactions of five aromatic organic compounds (AOCs) with aqueous chlorine (HOCl/OCl - ) and aqueous bromine (HOBr/OBr - ) were studied with an aim to compare the formation properties of haloacetic acids (HAAs) for the corresponding chlorination or bromination reactions of AOCs, respectively. The experiment results indicated that the HAAs substitution efficiency for the bromination reactions of AOCs was greater than that for the chlorination reactions, and the formation of HAAs had a strong dependence on the chemical structure of AOCs. The chlorination or bromination reaction activities for the AOCs with electron donating functional groups were higher than that for them with electron withdrawing functional groups. The kinetic experiments indicated that the reactions of aqueous bromine with phenol were faster than those of aqueous chlorine with phenol and the halogen consumption exhibited rapid initial and slower consumption stages for the reactions of phenol with aqueous chlorine and bromine, respectively. In addition, the HAAs production for the chlorination reaction of phenol decreased with the increase of pH. These conclusions could provide the valuable information for the effective control of the disinfection by-products during drinking water treatment operation

Bridge deterioration models to support Indiana's bridge management system.

Science.gov (United States)

2016-02-01

An effective bridge management system that is equipped with reliable deterioration models enables agency engineers to carry out : monitoring and long-term programming of bridge repair actions. At the project level, deterioration models help the agenc...

Damage Detection in Bridge Structure Using Vibration Data under Random Travelling Vehicle Loads

International Nuclear Information System (INIS)

Loh, C H; Hung, T Y; Chen, S F; Hsu, W T

2015-01-01

Due to the random nature of the road excitation and the inherent uncertainties in bridge-vehicle system, damage identification of bridge structure through continuous monitoring under operating situation become a challenge problem. Methods for system identification and damage detection of a continuous two-span concrete bridge structure in time domain is presented using interaction forces from random moving vehicles as excitation. The signals recorded in different locations of the instrumented bridge are mixed with signals from different internal and external (road roughness) vibration sources. The damage structure is also modelled as the stiffness reduction in one of the beam element. For the purpose of system identification and damage detection three different output-only modal analysis techniques are proposed: The covariance-driven stochastic subspace identification (SSI-COV), the blind source separation algorithms (called Second Order Blind Identification) and the multivariate AR model. The advantages and disadvantages of the three algorithms are discussed. Finally, the null-space damage index, subspace damage indices and mode shape slope change are used to detect and locate the damage. The proposed approaches has been tested in simulation and proved to be effective for structural health monitoring. (paper)

Automatic Bridge Control System

OpenAIRE

M. Niraimathi; S.Sivakumar; R.Vigneshwaran; R.Vinothkumar; P.Babu

2012-01-01

Bridge vibration control is an important issue whose purpose is to extend the structural service life of bridges. Normally, the bridge is modeled as an elastic beam or plate subject to a moving vehicle. However, the moving truck on a bridge is a complicated problem that must still be researched. In this paper, wepropose a new method, to overcome the huge load in the bridge a load cell is used at the entry which will monitor the load continuously at both ends. To escape from the heavy water fl...

Primary investigation on contamination pattern of legacy and emerging halogenated organic pollutions in freshwater fish from Liaohe River, Northeast China

International Nuclear Information System (INIS)

Ren Guofa; Wang Zhao; Yu Zhiqiang; Wang Yang; Ma Shengtao; Wu Minghong; Sheng Guoying; Fu Jiamo

2013-01-01

Legacy halogenated compounds, including polychlorinated biphenyls (PCBs), polybrominated diphenyl ethers (PBDEs), and emerging organo-halogen pollutants such as Dechlorane Plus (DP), were detected in fish from an old industrial region in Northeast China. PCBs and PBDEs were detected in all of the samples, with concentrations ranging from 38.15 to 170.51 ng/g lipid weight, and 9.40–39.69 ng/g lipid weight, respectively. DP was detected in more than 90% of the samples with concentrations ranging from not detected (ND) to 470 pg g/g lipid weight. Compared with similar data in other areas of the world, PCBs, PBDEs and DP in fish from Liaohe River were at medium or low level. An unusually high percentage of PCB-209 was first reported in the fish samples collected from China. Other halogenated pollutions, such as dichlorodiphenyltrichloroethane (DDT) and its metabolites, octachlorostyrene, chlorinated anisole, chlorinated thioanisole, triclosan-methyl, and other pesticides, have also been identified in the fish samples. - Highlights: ► DP was reported in fish samples from river close to an old industrial base in China. ► The first report on the unusually high fraction of PCB-209 in samples from China. ► GC × GC–TOFMS was used to identify non-targeted halogenated pollutants. - An unusually high percentage of PCB-209 was first reported in the fish samples collected from China, which might indicate that there were distinct sources of pure PCB-209 in the region of Liaohe River.

Chemical effects of nuclear transformations in mixed potassium hexahalogenometallates(IV), K2MXnY6-n Pt. 2

International Nuclear Information System (INIS)

Mueller, H.; Hagenlocher, I.

1990-01-01

Damage initiated by halogen recoil atoms in mixed hexabromochlorometallates has been evaluated with the help of the Impact-induced Multiple Ligand Abstraction (IMULA) model. The essential reactions within the scope of the model are primary retention for recoil atoms with energies below some threshold of displacement energy; halide-halide substitution reactions; reactions in which two or more halide ligands are displaced with subsequent reoccupation of the vacancies by adjacent halides; formation of interstitials which form free halide during the dissolution of the irradiated substances. It was found that for all recoil atoms and both potassium hexabromochlorometallates the contributions of the different reaction channels are very similar. These results do not differ essentially from results so far obtained in mixed crystal systems. (author) 12 refs.; 15 tabs

Use of pyrrole black in zinc-halogen batteries

Energy Technology Data Exchange (ETDEWEB)

Mengoli, G.; Musiani, M.M.; Tomat, R.; Valcher, S.; Pletcher, D.

1985-09-01

The storage of Br/sub 2//Br/sup -/ and I/sub 2//I/sup -/ couples in a conducting polymer matrix, polypyrrole coated on a reticulated vitreous carbon disc, is described and the application of these positive electrodes in zinc-halogen model batteries is discussed. The cell based on the polypyrrole bromine adduct shows the higher open circuit voltage which, however, depends on the state of charge. Such cells self discharge thus limiting their usefulness. In the case of the iodine cell the self discharge is due to loss of iodine from the polymer to the bulk solution, but with the bromine cell the cause is oxidative bromination and depolymerization of the polypyrrole. 22 references, 6 figures, 2 tables.

Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

International Nuclear Information System (INIS)

Yin, Bing; Wen, Zhen-Yi; Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li; Jiang, Zhen-Yi

2014-01-01

The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg 2 (CN) 5 ] − clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN −1 were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties

Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands

Energy Technology Data Exchange (ETDEWEB)

Yin, Bing, E-mail: rayinyin@gmail.com; Wen, Zhen-Yi [MOE Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Institute of Modern Physics, Northwest University, Xi' an 710069 (China); Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li [MOE Key Laboratory of Synthetic and Natural Functional Molecule Chemistry, Shaanxi Key Laboratory of Physico-Inorganic Chemistry, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Jiang, Zhen-Yi [Institute of Modern Physics, Northwest University, Xi' an 710069 (China)

2014-03-07

The first theoretical exploration of superhalogen properties of polynuclear structures based on pseudohalogen ligand is reported here via a case study on eight triply-bridged [Mg{sub 2}(CN){sub 5}]{sup −} clusters. From our high-level ab initio results, all these clusters are superhalogens due to their high vertical electron detachment energies (VDE), of which the largest value is 8.67 eV at coupled-cluster single double triple (CCSD(T)) level. Although outer valence Green's function results are consistent with CCSD(T) in most cases, it overestimates the VDEs of three anions dramatically by more than 1 eV. Therefore, the combined usage of several theoretical methods is important for the accuracy of purely theoretical prediction of superhalogen properties of new structures. Spatial distribution of the extra electron of high-VDE anions here indicates two features: remarkable aggregation on bridging CN units and non-negligible distribution on every CN unit. These two features lower the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to detachment of CN{sup −1} were also investigated for these anions. The collection of these results indicates that polynuclear structures based on pseudohalogen ligand are promising candidates for new superhalogens with enhanced properties.

Halogenated methanesulfonic acids: A new class of organic micropollutants in the water cycle.

Science.gov (United States)

Zahn, Daniel; Frömel, Tobias; Knepper, Thomas P

2016-09-15

Mobile and persistent organic micropollutants may impact raw and drinking waters and are thus of concern for human health. To identify such possible substances of concern nineteen water samples from five European countries (France, Switzerland, The Netherlands, Spain and Germany) and different compartments of the water cycle (urban effluent, surface water, ground water and drinking water) were enriched with mixed-mode solid phase extraction. Hydrophilic interaction liquid chromatography - high resolution mass spectrometry non-target screening of these samples led to the detection and structural elucidation of seven novel organic micropollutants. One structure could already be confirmed by a reference standard (trifluoromethanesulfonic acid) and six were tentatively identified based on experimental evidence (chloromethanesulfonic acid, dichloromethanesulfonic acid, trichloromethanesulfonic acid, bromomethanesulfonic acid, dibromomethanesulfonic acid and bromochloromethanesulfonic acid). Approximated concentrations for these substances show that trifluoromethanesulfonic acid, a chemical registered under the European Union regulation REACH with a production volume of more than 100 t/a, is able to spread along the water cycle and may be present in concentrations up to the μg/L range. Chlorinated and brominated methanesulfonic acids were predominantly detected together which indicates a common source and first experimental evidence points towards water disinfection as a potential origin. Halogenated methanesulfonic acids were detected in drinking waters and thus may be new substances of concern. Copyright © 2016 Elsevier Ltd. All rights reserved.

Existing Steel Railway Bridges Evaluation

Science.gov (United States)

Vičan, Josef; Gocál, Jozef; Odrobiňák, Jaroslav; Koteš, Peter

2016-12-01

The article describes general principles and basis of evaluation of existing railway bridges based on the concept of load-carrying capacity determination. Compared to the design of a new bridge, the modified reliability level for existing bridges evaluation should be considered due to implementation of the additional data related to bridge condition and behaviour obtained from regular inspections. Based on those data respecting the bridge remaining lifetime, a modification of partial safety factors for actions and materials could be respected in the bridge evaluation process. A great attention is also paid to the specific problems of determination of load-caring capacity of steel railway bridges in service. Recommendation for global analysis and methodology for existing steel bridge superstructure load-carrying capacity determination are described too.

Ozone variability and halogen oxidation within the Arctic and sub-Arctic springtime boundary layer

Directory of Open Access Journals (Sweden)

J. B. Gilman

2010-11-01

Full Text Available The influence of halogen oxidation on the variabilities of ozone (O₃ and volatile organic compounds (VOCs within the Arctic and sub-Arctic atmospheric boundary layer was investigated using field measurements from multiple campaigns conducted in March and April 2008 as part of the POLARCAT project. For the ship-based measurements, a high degree of correlation (r = 0.98 for 544 data points collected north of 68° N was observed between the acetylene to benzene ratio, used as a marker for chlorine and bromine oxidation, and O₃ signifying the vast influence of halogen oxidation throughout the ice-free regions of the North Atlantic. Concurrent airborne and ground-based measurements in the Alaskan Arctic substantiated this correlation and were used to demonstrate that halogen oxidation influenced O₃ variability throughout the Arctic boundary layer during these springtime studies. Measurements aboard the R/V Knorr in the North Atlantic and Arctic Oceans provided a unique view of the transport of O₃-poor air masses from the Arctic Basin to latitudes as far south as 52° N. FLEXPART, a Lagrangian transport model, was used to quantitatively determine the exposure of air masses encountered by the ship to first-year ice (FYI, multi-year ice (MYI, and total ICE (FYI+MYI. O₃ anti-correlated with the modeled total ICE tracer (r = −0.86 indicating that up to 73% of the O₃ variability measured in the Arctic marine boundary layer could be related to sea ice exposure.

Field performance of timber bridges. 5, Little Salmon Creek stress-laminated deck bridge

Science.gov (United States)

M. A. Ritter; J. A. Kainz; G. J. Porter

The Little Salmon Creek bridge was constructed in November 1988 on the Allegheny National Forest in Pennsylvania. The bridge is a simple span, single-lane, stress-laminated deck superstructure that is approximately 26-ft long and 16-ft wide. The bridge is unique in that it is the first known stress-laminated timber bridge to be constructed of hardwood lumber. The...

Field performance of timber bridges. 9, Big Erick`s stress-laminated deck bridge

Science.gov (United States)

J. A. Kainz; J. P. Wacker; M. Nelson

The Big Erickas bridge was constructed during September 1992 in Baraga County, Michigan. The bridge is 72 ft long, 16 ft wide, and consists of three simple spans: two stress-laminated deck approach spans and a stress-laminated box center span. The bridge is unique in that it is one of the first known stress-laminated timber bridge applications to use Eastern Hemlock...

Hydraulic modeling of flow impact on bridge structures: a case study on Citarum bridge

Science.gov (United States)

Siregar, R. I.

2018-02-01

Flood waves because of the rapid catchment response to high intense rainfall, breaches of flood defenses may induce huge impact forces on structures, causing structural damage or even failures. Overflowing stream that passes over the bridge, it means to discharge flood water level is smaller than the capacity of the river flow. In this study, the researches present the methodological approach of flood modeling on bridge structures. The amount of force that obtained because of the hydrostatic pressure received by the bridge at the time of the flood caused the bridge structure disrupted. This paper presents simulation of flow impact on bridge structures with some event flood conditions. Estimating the hydrostatic pressure developed new model components, to quantify the flow impact on structures. Flow parameters applied the model for analyzing, such as discharge, velocity, and water level or head that effect of bridge structures. The simulation will illustrate the capability of bridge structures with some event flood river and observe the behavior of the flow that occurred during the flood. Hydraulic flood modeling use HEC-RAS for simulation. This modeling will describe the impact on bridge structures. Based on the above modelling resulted, in 2008 has flood effect more than other years on the Citarum Bridge, because its flow overflow on the bridge.

Existing Steel Railway Bridges Evaluation

Directory of Open Access Journals (Sweden)

Vičan Josef

2016-12-01

Full Text Available The article describes general principles and basis of evaluation of existing railway bridges based on the concept of load-carrying capacity determination. Compared to the design of a new bridge, the modified reliability level for existing bridges evaluation should be considered due to implementation of the additional data related to bridge condition and behaviour obtained from regular inspections. Based on those data respecting the bridge remaining lifetime, a modification of partial safety factors for actions and materials could be respected in the bridge evaluation process. A great attention is also paid to the specific problems of determination of load-caring capacity of steel railway bridges in service. Recommendation for global analysis and methodology for existing steel bridge superstructure load-carrying capacity determination are described too.

Generation and alteration of the defects induced by particle irradiation and electromagnetic radiation in alkali halogen compounds

International Nuclear Information System (INIS)

Nistor, L.C.

1979-01-01

Interactions between electron beams, CO 2 - laser radiation and alkali halogen compound have led to interesting results: 1. The development of two types of F-centre respectively in normal lattice or near the dislocations. 2. The beginning of metal colloids development process at low temperature when a thermal treatment is applied. 3. An experimental confirmation of the Pooley-Hersh model for crystal defects has been brought up. 4. The surface penetration is an explosive process. 5. Surface polygonizations were also investigated. A model has been proposed to describe the destructive channels development within alkali halogen crystals with molecular anions impurities of less than 10 ppm. KCl monocrystals of advanced purity level was prepared for building up passive optical components of strong CO 2 lasers. (author)

Light-weight aluminium bridges and bridge decks. An overview of recent applications

NARCIS (Netherlands)

Maljaars, J.; Soetens, F.; Kluyver, D. de

2008-01-01

The last decades have shown a large increase in the application of aluminium alloys for light-weight bridges. For bridge construction, aluminium alloys have some specific advantages, but also some points of attention. This paper deals with some recent projects of aluminium bridges, and for these

The effect of halogen light stimulation on duration of ultrasound parameters of biophysical profile: a randomized clinical trial.

Science.gov (United States)

Hanafi, Mohammad Ghasem; Sahraeizadeh, Aliakbar

2018-02-22

The objective is to assess if fetal halogen light stimulation can reduce the time needed to obtain a normal biophysical profile (BPP). Patients scheduled for a BPP and who satisfied the inclusion criteria were prospectively randomized to halogen light stimulation and no stimulation groups. The study group was exposed to handheld halogen light for 10 s whenever fetal breathing, movement, or tone was absent through the first 5 min of BPP. The time required to achieve complete BPP score was recorded. In patients with complete BPP score who had delivery within 1 week after the test, perinatal morbidity was examined. A total of 598 patients were randomized (light = 302, no light = 296). There was no difference between the two groups in terms of gestational age, maternal age, body mass index, and indication for BPP except for preterm labor (light: 9%, no light: 4%, p = 0.03). Among the patients who had a normal BPP score (n = 507), the mean (light: 7.1 ± 6 min, no light: 12.3 ± 8 min, p BPP score was significantly less in the light stimulation group than the no stimulation group. Perinatal outcomes were not different between groups who had delivery during the first week after BPP. Fetal halogen light stimulation can be utilized to reduce the time needed to complete a BPP. However, further studies should be conducted in order to determine the effect of this method on decreasing non-reassuring test results. The study was submitted to the Registry of Clinical Trials on 04/20/2017 (IRCT2017041633470N1). After IRCT registration on 06/07/2017, we recruited patients from 06/08/2017 till 10/15/2017.

Nitrogen, Aerosol Composition, and Halogens on a Tall Tower (NACHTT): Overview of a wintertime air chemistry field study in the front range urban corridor of Colorado

Science.gov (United States)

Brown, Steven S.; Thornton, Joel A.; Keene, William C.; Pszenny, Alexander A. P.; Sive, Barkley C.; Dubé, William P.; Wagner, Nicholas L.; Young, Cora J.; Riedel, Theran P.; Roberts, James M.; VandenBoer, Trevor C.; Bahreini, Roya; Öztürk, Fatma; Middlebrook, Ann M.; Kim, Saewung; Hübler, Gerhard; Wolfe, Daniel E.

2013-07-01

The Nitrogen, Aerosol Composition, and Halogens on a Tall Tower (NACHTT) field experiment took place during late winter, 2011, at a site 33 km north of Denver, Colorado. The study included fixed-height measurements of aerosols, soluble trace gases, and volatile organic compounds near surface level, as well as vertically resolved measurements of nitrogen oxides, aerosol composition, soluble gas-phase acids, and halogen species from 3 to 270 m above ground level. There were 1928 individual profiles during the three-week campaign to characterize trace gas and aerosol distributions in the lower levels of the boundary layer. Nitrate and ammonium dominated the ionic composition of aerosols and originated primarily from local or regional sources. Sulfate and organic matter were also significant and were associated primarily with longer-range transport to the region. Aerosol chloride was associated primarily with supermicron size fractions and was always present in excess of gas-phase chlorine compounds. The nighttime radical reservoirs, nitryl chloride, ClNO2, and nitrous acid, HONO, were both consistently present in nighttime urban air. Nitryl chloride was especially pronounced in plumes from large point sources sampled aloft at night. Nitrous acid was typically most concentrated near the ground surface and was the dominant contributor (80%) to diurnally averaged primary OH radical production in near-surface air. Large observed mixing ratios of light alkanes, both in near-surface air and aloft, were attributable to local emissions from oil and gas activities.

Development of bridge girder movement criteria for accelerated bridge construction.

Science.gov (United States)

2014-06-01

End diaphragms connect multiple girders to form a bridge superstructure system for effective resistance to earthquake loads. Concrete : girder bridges that include end diaphragms consistently proved to perform well during previous earthquake events. ...

Structures and anti-inflammatory properties of 4-halogenated -mofebutazones

Science.gov (United States)

Reichelt, Hendrik; Paradies, Henrich H.

2018-02-01

The crystal structures of the 4-halogenated (hal: F, Cl, Br)-4-butyl-1-phenyl-1,3-pyrolidine-dione (mofebutazone) are determined, and compared with their solution structures. The racemic 4-halogenated mofebutazone approximants crystallize in a monoclinic space group with four molecules in the unit cell. The 4-hal-mofebutazone molecules reveal strong hydrogen bonding between the hydrogen atom located at the N-2 nitrogen atom and a carbonyl oxygen atom of an adjacent 4-hal-mofebutazone molecule. The hydrogen bond angle for 4-Br-mifebutazone N (2)sbnd H (1)⋯O (1) is 173(3) °, so that the hydrogen bond is essentially linear indicating an infinite chain hydrogen bond network. The 3d and 2d structures are stabilized by π-π and σ-π interactions, short intermolecular distances, and apolar forces between adjacently stacked phenyl rings. Small-angle-X-ray scattering (SAXS) experiments and osmometric measurements reveal the presence of dimers for the 4-hal-mofebutazone molecules. Molecular simulations indicate similar solution structure factors for the 4-hal-mofebutazones solutions, S(Q), and in the solid state. There is a strong indication that the [1,1,0], [1,0,0], and [1,0,0] periodicities of the 4-Brsbnd , 4-Clsbnd and 4-F-mofebutazone in the crystalline solid state were also present in the solution phase. The biochemical and cellular activities of the different 4-hal-mofebutazones were monitored by the magnitude of their inhibition of the PGE2 biosynthesis through the cyclo-oxygenase (COX-1) in macrophages, and on the inhibition of LTD4 (5-lipoxygenase) in polymorphonuclear leukocytes.

Active Control of Suspension Bridges

DEFF Research Database (Denmark)

Thoft-Christensen, Palle

In this paper some recent research on active control of very long suspension bridges, is presented. The presentation is based on research work at Aalborg University, Denmark. The active control system is based on movable flaps attached to the bridge girder. Wind load on bridges with or without...... flaps attached to the girder is briefly presented. A simple active control system is discussed. Results from wind tunnel experiments with a bridge section show that flaps can be used effectively to control bridge girder vibrations. Flutter conditions for suspension bridges with and without flaps...

The Effects of Water Spray Cooling in Conjunction with Halogenated Extinguishants on Hydrogen Fluoride Generation and Decay

National Research Council Canada - National Science Library

Burch, Ian

2007-01-01

The halogenated extinguishants Halon 1301, HFC-227ea (FM200) and NAF-S-III used within Royal Australian Navy vessels for total flooding fire suppression applications have hydrogen fluoride (HF) toxicity concerns...

Chain reaction on de-halogenation of 1,2-dibromotetrafluoroethane and 1,1,2-trichlorotrifluoroethane induced by irradiation in alcohols

International Nuclear Information System (INIS)

Nakagawa, Seiko

2015-01-01

Methanol and 2-propanol solutions of 1,2-dibromotetrafluoroethane and 1,1,2-trichlorotrifluoroethane were irradiated with γ-rays after perfect de-oxygenation. The product, formed by the substitution of one of the bromine or chlorine atoms with a hydrogen atom, was observed by radiation-induced degradation and the product was also de-halogenated. The G-value of de-halogenation was more than a thousand times higher than G(e solv − ) and increased with the decreasing dose rate, meaning that a chain reaction is involved in the process. The efficiency of the degradation in 2-propanol was several times higher than that in methanol. It is concluded that the charge transfer from an alcohol radical will be the trigger of the chain reaction the same as in the degradation of hexachloroethane in alcohol solutions (Sawai et al., 1978). - Highlights: • Halone2402 and Furon113 were de-halogenated by radiation-induced chain reaction in pure alcohol. • The efficiency of the degradation in 2-propanol was several times higher than that in methanol. • The charge transfer from an alcohol radical will be the trigger of the chain reaction

QSPR models of n-octanol/water partition coefficients and aqueous solubility of halogenated methyl-phenyl ethers by DFT method.

Science.gov (United States)

Zeng, Xiao-Lan; Wang, Hong-Jun; Wang, Yan

2012-02-01

The possible molecular geometries of 134 halogenated methyl-phenyl ethers were optimized at B3LYP/6-31G(*) level with Gaussian 98 program. The calculated structural parameters were taken as theoretical descriptors to establish two new novel QSPR models for predicting aqueous solubility (-lgS(w,l)) and n-octanol/water partition coefficient (lgK(ow)) of halogenated methyl-phenyl ethers. The two models achieved in this work both contain three variables: energy of the lowest unoccupied molecular orbital (E(LUMO)), most positive atomic partial charge in molecule (q(+)), and quadrupole moment (Q(yy) or Q(zz)), of which R values are 0.992 and 0.970 respectively, their standard errors of estimate in modeling (SD) are 0.132 and 0.178, respectively. The results of leave-one-out (LOO) cross-validation for training set and validation with external test sets both show that the models obtained exhibited optimum stability and good predictive power. We suggests that two QSPR models derived here can be used to predict S(w,l) and K(ow) accurately for non-tested halogenated methyl-phenyl ethers congeners. Copyright © 2011 Elsevier Ltd. All rights reserved.

Primary investigation on contamination pattern of legacy and emerging halogenated organic pollutions in freshwater fish from Liaohe River, Northeast China

Energy Technology Data Exchange (ETDEWEB)

Ren Guofa, E-mail: rgf2008@shu.edu.cn [Institute of Environmental Pollution and Health, School of Environment and Chemical Engineering, Shanghai University, 99 Shangda Road, Baoshan Disrict, Shanghai 200072 (China); Zhao, Wang [Institute of Environmental Pollution and Health, School of Environment and Chemical Engineering, Shanghai University, 99 Shangda Road, Baoshan Disrict, Shanghai 200072 (China); Zhiqiang, Yu [State Key Laboratory of Organic Geochemistry, Guangzhou Key Laboratory of Environment Protection and Resource Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Yang, Wang [Institute of Environmental Pollution and Health, School of Environment and Chemical Engineering, Shanghai University, 99 Shangda Road, Baoshan Disrict, Shanghai 200072 (China); Shengtao, Ma [State Key Laboratory of Organic Geochemistry, Guangzhou Key Laboratory of Environment Protection and Resource Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Minghong, Wu [Institute of Environmental Pollution and Health, School of Environment and Chemical Engineering, Shanghai University, 99 Shangda Road, Baoshan Disrict, Shanghai 200072 (China); Guoying, Sheng [State Key Laboratory of Organic Geochemistry, Guangzhou Key Laboratory of Environment Protection and Resource Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Jiamo, Fu [Institute of Environmental Pollution and Health, School of Environment and Chemical Engineering, Shanghai University, 99 Shangda Road, Baoshan Disrict, Shanghai 200072 (China); State Key Laboratory of Organic Geochemistry, Guangzhou Key Laboratory of Environment Protection and Resource Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China)

2013-01-15

Legacy halogenated compounds, including polychlorinated biphenyls (PCBs), polybrominated diphenyl ethers (PBDEs), and emerging organo-halogen pollutants such as Dechlorane Plus (DP), were detected in fish from an old industrial region in Northeast China. PCBs and PBDEs were detected in all of the samples, with concentrations ranging from 38.15 to 170.51 ng/g lipid weight, and 9.40-39.69 ng/g lipid weight, respectively. DP was detected in more than 90% of the samples with concentrations ranging from not detected (ND) to 470 pg g/g lipid weight. Compared with similar data in other areas of the world, PCBs, PBDEs and DP in fish from Liaohe River were at medium or low level. An unusually high percentage of PCB-209 was first reported in the fish samples collected from China. Other halogenated pollutions, such as dichlorodiphenyltrichloroethane (DDT) and its metabolites, octachlorostyrene, chlorinated anisole, chlorinated thioanisole, triclosan-methyl, and other pesticides, have also been identified in the fish samples. - Highlights: Black-Right-Pointing-Pointer DP was reported in fish samples from river close to an old industrial base in China. Black-Right-Pointing-Pointer The first report on the unusually high fraction of PCB-209 in samples from China. Black-Right-Pointing-Pointer GC Multiplication-Sign GC-TOFMS was used to identify non-targeted halogenated pollutants. - An unusually high percentage of PCB-209 was first reported in the fish samples collected from China, which might indicate that there were distinct sources of pure PCB-209 in the region of Liaohe River.

Converting a conventional wired-halogen illuminated indirect ophthalmoscope to a wireless-light emitting diode illuminated indirect ophthalmoscope in less than 1000/- rupees

Directory of Open Access Journals (Sweden)

Mihir Kothari

2015-01-01

Full Text Available Aim: To report the "do it yourself" method of converting an existing wired-halogen indirect ophthalmoscope (IO to a wireless-light emitting diode (LED IO and report the preferences of the patients and the ophthalmologists. Subjects and Methods: In this prospective observational study, a conventional IO was converted to wireless-LED IO using easily available, affordable electrical components. Conventional and the converted IO were then used to perform photo-stress test and take the feedback of subjects and the ophthalmologists regarding its handling and illumination characteristics. Results: The cost of conversion to wireless-LED was 815/- rupees. Twenty-nine subjects, mean age 34.3 ΁ 10 years with normal eyes were recruited in the study. Between the two illumination systems, there was no statistical difference in the magnitude of the visual acuity loss and the time to recovery of acuity and the bleached vision on photo-stress test, although the visual recovery was clinically faster with LED illumination. The heat sensation was more with halogen illumination than the LED (P = 0.009. The ophthalmologists rated wireless-LED IO higher than wired-halogen IO on the handling, examination comfort, patient′s visual comfort and quality of the image. Twenty-two (81% ophthalmologists wanted to change over to wireless-LED IO. Conclusions: Converting to wireless-LED IO is easy, cost-effective and preferred over a wired-halogen indirect ophthalmoscope.

Converting a conventional wired-halogen illuminated indirect ophthalmoscope to a wireless-light emitting diode illuminated indirect ophthalmoscope in less than 1000/- rupees.

Science.gov (United States)

Kothari, Mihir; Kothari, Kedar; Kadam, Sanjay; Mota, Poonam; Chipade, Snehal

2015-01-01

To report the "do it yourself" method of converting an existing wired-halogen indirect ophthalmoscope (IO) to a wireless-light emitting diode (LED) IO and report the preferences of the patients and the ophthalmologists. In this prospective observational study, a conventional IO was converted to wireless-LED IO using easily available, affordable electrical components. Conventional and the converted IO were then used to perform photo-stress test and take the feedback of subjects and the ophthalmologists regarding its handling and illumination characteristics. The cost of conversion to wireless-LED was 815/- rupees. Twenty-nine subjects, mean age 34.3 [formula in text] 10 years with normal eyes were recruited in the study. Between the two illumination systems, there was no statistical difference in the magnitude of the visual acuity loss and the time to recovery of acuity and the bleached vision on photo-stress test, although the visual recovery was clinically faster with LED illumination. The heat sensation was more with halogen illumination than the LED (P = 0.009). The ophthalmologists rated wireless-LED IO higher than wired-halogen IO on the handling, examination comfort, patient's visual comfort and quality of the image. Twenty-two (81%) ophthalmologists wanted to change over to wireless-LED IO. Converting to wireless-LED IO is easy, cost-effective and preferred over a wired-halogen indirect ophthalmoscope.

Effect of halogen-terminated additives on the performance and the nanostructure of all-polymer solar cells

Science.gov (United States)

Park, Soohyeong; Nam, Sungho; Seo, Jooyeok; Jeong, Jaehoon; Lee, Sooyong; Kim, Hwajeong; Kim, Youngkyoo

2015-02-01

Here, we report the influence of halogen-terminated additives on the performance and the nanostructure of all-polymer solar cells that are made with bulk heterojunction (BHJ) films of poly(3-hexylthiophene) (P3HT) (as an electron donor) and poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) (as an electron acceptor). Diiodooctane (DIO) and dibromooctane (DBO) were employed as additives in order to compare the effect of different halogen groups (bromine and iodine). Results showed that the power conversion efficiency of devices was slightly (˜15%) improved by using additives due to the increased open-circuit voltage and fill factor. The synchrotron radiation grazing-incidence X-ray diffraction (GIXD) measurements disclosed that the performance improvement was closely related to the relatively well-evolved nanostructures in the P3HT:F8BT films caused by the additives.

Effects of halogens on interactions between a reduced TiO{sub 2} (110) surface and noble metal atoms: A DFT study

Energy Technology Data Exchange (ETDEWEB)

Tada, Kohei, E-mail: k-tada@aist.go.jp [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka, 563-8577 (Japan); Koga, Hiroaki [Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan); Hayashi, Akihide; Kondo, Yudai; Kawakami, Takashi; Yamanaka, Shusuke [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Okumura, Mitsutaka [Department of Chemistry, Graduate School of Science, Osaka University, 1-1, Machikaneyama, Toyonaka, Osaka, 560-0043 (Japan); Element Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo Ohara, Nishikyo, Kyoto, 615-8245 (Japan)

2017-07-31

Highlights: • We investigated the halogen effect on the interactions of noble metals with TiO{sub 2}. • Halogen atoms inhibit electron transfer from TiO{sub 2} to noble metals. • Iodine stabilizes the adsorption of noble metals especially for Ag and Cu. • Electron transfer from the TiO{sub 2} is effective in anchoring Au and Pt atoms. • Covalent interaction with the support is effective in anchoring Ag and Cu atoms. - Abstract: Using DFT calculation, we investigate the effects of halogens on the interactions between rutile TiO{sub 2} (110) and noble metal atoms (Au, Ag, Cu, Pt, and Pd). Fluorine, chlorine, and bromine atoms occupy the oxygen defect sites of TiO{sub 2}, decreasing the stability of noble metal atoms on the surface. This decrease occurs because the halogens inhibit electron transfer from TiO{sub 2} to the noble metal atoms; the electron transfer from reduced TiO{sub 2} to the noble metal atom stabilizes the noble metal atom adsorption. In contrast, iodine strengthens the interactions between TiO{sub 2} and some noble metal atoms, namely Ag and Cu. This stabilization occurs because of the covalent interaction between iodine-doped TiO{sub 2} and the noble metal atom. Therefore, the stabilization is explained well by chemical hardness. This result suggests that iodine-doping of a TiO{sub 2} surface would be an effective method for the preparation of highly stabilized noble metal clusters.

Morphological aspects of myocardial bridges.

Science.gov (United States)

Lujinović, Almira; Kulenović, Amela; Kapur, Eldan; Gojak, Refet

2013-11-01

Although some myocardial bridges can be asymptomatic, their presence often causes coronary disease either through direct compression of the "tunnel" segment or through stimulation and accelerated development of atherosclerosis in the segment proximally to the myocardial bridge. The studied material contained 30 human hearts received from the Department of Anatomy. The hearts were preserved 3 to 5 days in 10% formalin solution. Thereafter, the fatty tissue was removed and arterial blood vessels prepared by careful dissection with special reference to the presence of the myocardial bridges. Length and thickness of the bridges were measured by the precise electronic caliper. The angle between the myocardial bridge fibre axis and other axis of the crossed blood vessel was measured by a goniometer. The presence of the bridges was confirmed in 53.33% of the researched material, most frequently (43.33%) above the anterior interventricular branch. The mean length of the bridges was 14.64 ± 9.03 mm and the mean thickness was 1.23 ± 1.32 mm. Myocardial bridge fibres pass over the descending blood vessel at the angle of 10-90 degrees. The results obtained on a limited sample suggest that the muscular index of myocardial bridge is the highest for bridges located on RIA, but that the difference is not significant in relation to bridges located on other branches. The results obtained suggest that bridges located on other branches, not only those on RIA, could have a great contractive power and, consequently, a great compressive force, which would be exerted on the wall of a crossed blood vessel.

Reactive and Organic Halogen Species in Three Different European Coastal Environments

Science.gov (United States)

Platt, U.; Peters, C.; Pechtl, S.

2005-12-01

Within this contribution results of three field campaigns using active longpath DOAS (Differential Optical Absorption Spectroscopy) for the study of reactive halogen species (RHS) BrO, IO, OIO and I2 are presented. Two recent field campaigns took place in Spring 2002 in Dagebuell at the German North Sea Coast and 2003 in Lilia at the French Atlantic Coast of Brittany. Both sites represent coastal environments, characterized by extended intertidal zones and a moderately polluted atmosphere, with NO2 levels of up to 8 ppb. However, the sites show strong differences in their respective bioactivity. A great variety of macroalgae appeared over extended areas in Brittany, whereas algae were localized in small and rare spots at the German North Sea Coast. During these field campaigns volatile halogenated organic compounds (VHOCs) were determined by GC/ECD-ICPMS in air and water. Due to the spatial distribution of macroalgae at the German North Sea Coast clear evidence was for a connection between elevated levels of VHOCs and the appearance of macroalgae. Extraordinarily high concentrations of several VHOCs, specially CH3I and CH3Br of up to 1830 pptv and 875 pptv, respectively, were observed at the coast of Brittany, demonstrating the outstanding level of bioactivity there. CH2I2, an important source species for reactive iodine in the atmosphere due its short photolytic lifetime of only a few minutes, could be detected of up to 20 pptv. The IO mixing ratio reached up to 7.7±0.5 ppt (pmol/mol) during the day, in reasonable agreement with model studies designed to represent the meteorological and chemical conditions in Brittany. Since macroalgae under oxidative stress are suggested to be a further source for I2 in the marine boundary layer, spectra in the 500-600 nm range were re-analyzed taken during the 1998 PARFORCE campaign in Mace Head, Ireland, which had not previously been analyzed for I2. Molecular iodine could be clearly identified above the detection limit (~20

Field performance of timber bridges. 17, Ciphers stress-laminated deck bridge

Science.gov (United States)

James P. Wacker; James A. Kainz; Michael A. Ritter

In September 1989, the Ciphers bridge was constructed within the Beltrami Island State Forest in Roseau County, Minnesota. The bridge superstructure is a two-span continuous stress-laminated deck that is approximately 12.19 m long, 5.49 m wide, and 305 mm deep (40 ft long, 18 ft wide, and 12 in. deep). The bridge is one of the first to utilize red pine sawn lumber for...

Remarks on crack-bridging concepts

International Nuclear Information System (INIS)

Bao, G.; Suo, Z.

1992-01-01

The article draws upon recent work by us and our colleagues on metal and ceramic matrix composites for high temperature engines. The central theme here is to deduce mechanical properties, such as toughness, strength and notch-ductility, from bridging laws that characterize inelastic processes associated with fracture. A particular set of normalization is introduced to present the design charts, segregating the roles played by the shape, and the scale, of a bridging law. A single material length, γ 0 E/σ 0 , emerges, where γ 0 is the limiting-separation, σ 0 the bridging-strength, and E the Young's modulus of the solid. It is the huge variation of this length-from a few manometers for atomic bond, to a meter for cross-over fibers - that underlies the richness in material behaviors. Under small-scale bridging conditions, γ 0 E/σ 0 is the only basic length scale in the mechanics problem and represents, with a pre-factor about 0.4, the bridging zone size. A catalog of small-scale bridging solutions is compiled for idealized bridging laws. Large-scale bridging introduces a dimensionless group, a/(γ 0 E/σ 0 ), where a is a length characterizing the component. The group plays a major role in all phenomena associated with bridging, and provides a focus of discussion in this article. For example, it quantifies the bridging scale when a is the unbridged crack length, and notch-sensitivity when a is hole radius. The difference and the connection between Irwin's fracture mechanics and crack bridging concepts are discussed. It is demonstrated that fracture toughness and resistance curve are meaningful only when small-scale bridging conditions prevail, and therefore of limited use in design with composites. Many other mechanical properties of composites, such as strength and notch-sensitivity, can be simulated by invoking large-scale bridging concepts. 37 refs., 21 figs., 3 tabs

Halogen bonded complexes between volatile anaeshetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study

Czech Academy of Sciences Publication Activity Database

Zierkiewicz, W.; Wieczorek, R.; Hobza, Pavel; Michalska, D.

2011-01-01

Roč. 13, č. 11 (2011), s. 5105-5113 ISSN 1463-9076 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : halogen bond * anaesthetics * ab initio calculation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.573, year: 2011

Synthesis and improved photochromic properties of pyrazolones in the solid state by incorporation of halogen

Science.gov (United States)

Guo, Jixi; Yuan, Hui; Jia, Dianzeng; Guo, Mingxi; Li, Yinhua

2017-01-01

Four novel photochromic pyrazolones have been prepared by introducing halogen atoms as substituents on the benzene ring. All as-synthesized compounds exhibited excellent reversible photochromic performances in the solid state. Upon UV light irradiation, the as-synthesized compounds can change their structures from E-form to K-form with yellow coloration. Further processed by heating, they rapidly reverted to their initial states at 120 °С. Their photo-response and thermal bleaching kinetics were detailed investigated by UV absorption spectra. The results showed that the time constants were higher than that of our previously reported compounds at least one order of magnitude and the rate constants of the as-synthesized compounds were significantly influenced by the size and electronegativity of different halogen atoms. The fluorescence emission were modulated in a high degree via photoisomerization of pyrazolones, which might be due to the efficient energy transfer from E-form to K-form isomers for their partly overlaps between their E-form absorption spectra and K-form fluorescence spectra.

49 CFR 236.312 - Movable bridge, interlocking of signal appliances with bridge devices.

Science.gov (United States)

2010-10-01

... 49 Transportation 4 2010-10-01 2010-10-01 false Movable bridge, interlocking of signal appliances with bridge devices. 236.312 Section 236.312 Transportation Other Regulations Relating to... SYSTEMS, DEVICES, AND APPLIANCES Interlocking Standards § 236.312 Movable bridge, interlocking of signal...

GC-MS Study of Mono- and Bishaloethylphosphonates Related to Schedule 2.B.04 of the Chemical Weapons Convention: The Discovery of a New Intramolecular Halogen Transfer

Science.gov (United States)

Picazas-Márquez, Nerea; Sierra, María; Nova, Clara; Moreno, Juan Manuel; Aboitiz, Nuria; de Rivas, Gema; Sierra, Miguel A.; Martínez-Álvarez, Roberto; Gómez-Caballero, Esther

2016-09-01

A new class of compounds, mono- and bis-haloethylphosphonates (HAPs and bisHAPs, respectively), listed in Schedule 2.B.04 of the Chemical Weapons Convention (CWC), has been synthesized and studied by GC-MS with two aims. First, to improve the identification of this type of chemicals by the Organization for the Prohibition of Chemical Weapons, (OPCW). Second, to study the synergistic effect of halogen and silicon atoms in molecules undergoing mass spectrometry. Fragmentation patterns of trimethylsilyl derivatives of HAPs were found to depend on the nature of the halogen atom; this was in agreement with DFT-calculations. The data suggest that a novel intramolecular halogen transfer takes place during the fragmentation process.

Emission of Volatile OrganoHalogens by Southern African Solar Salt Works

Science.gov (United States)

Kotte, Karsten; Weissflog, Ludwig; Lange, Christian Albert; Huber, Stefan; Pienaar, Jacobus J.

2010-05-01

Volatile organic compounds containing halogens - especially chlorine - have been considered for a long time of industrial origin only, and it was assumed that the production and emission of these compounds can easily be controlled by humans in case they will cause a threat for life on Earth. Since the middle of the 80ies of the last century it became clear that the biologically active organohalogens isolated by chemists are purposefully produced by nature as antibiotics or as antifeedant etc. To date more than 3800 organohalogens are known to be naturally produced by bio-geochemical processes. The global budgets of many such species are poorly understood and only now with the emergence of better analytical techniques being discovered. For example the compound chloromethane nature's production (5 GT) outdates the anthropogenic production (50 KT) by a factor of 100. Thus organohalogens are an interesting recent case in point since they can influence the ozone budget of the boundary layer, play a role in the production of aerosols and the climate change discussion. An intriguing observation is that most of the atmospheric CH3Cl and CH3Br are of terrestrial rather than of marine origin and that a number of halogenated small organic molecules are produced in soils. The high concentrations of halides in salt soils point to a possibly higher importance of natural halogenation processes as a source of volatile organohalogens. Terrestrial biota, such as fungi, plants, animals and insects, as well as marine algea, bacteria and archaea are known or suspected to be de-novo producers of volatile organohalogens. In recent years we revealed the possibility for VOX to form actively in water and bottom sediments of hyper-saline environments in the course of studying aridization processes during climatic warming. Due to the nature of their production process solar salt works, as to be found along-side the Southern African coast line but also upcountry, combine a variety of semi- and

Verification of the light intensity from halogens curing lamps in comparison with the manufacturer's specifications

International Nuclear Information System (INIS)

Morales Ramirez, Elvis

2011-01-01

The light intensity emitted from halogens curing lamps is measured to determine if photoactivation units utilized in the Caja Costarricense de Seguro Social are complied with the manufacturer's specifications of the lamp and the resin. The light intensity mW/cm 2 from halogens curing lamps operated by odontologist of the Caja Costarricense de Seguro Social is compared with the manufacturer's specifications of the lamp. The light intensity is compared with the manufacturer's specifications of the resin. The results obtained are analyzed to specify that lamp or lamps have presented light intensities lower to indication of the manufacturer. A list of recommendations is performed for each Servicio de Odontologia of the Caja Costarricense de Seguro Social of the Region Central Sur of the results reported [es

Electron-detachment cross sections of halogen negative-ion projectiles for inertial confinement fusion

Science.gov (United States)

Sant'Anna, M. M.; Zappa, F.; Santos, A. C. F.; de Barros, A. L. F.; Wolff, W.; Coelho, L. F. S.; de Castro Faria, N. V.

2004-07-01

Negative-ion beams have recently been suggested as sources of high-energy heavy atoms to be used as drivers for inertial confinement fusion (ICF). Owing to their electron affinities limited to a few eV, anions can be efficiently photo-detached in the vicinity of the fusion chamber, with the resulting high-velocity neutral projectiles following ballistic trajectories towards the hydrogen pellet target. Electron-detachment cross sections are needed as parameters to estimate the beam attenuation in the path from the ion source to the hydrogen pellet. Halogen anions are possible projectile choices. In this paper we present experimental data for total electron-detachment cross sections for F-, Cl-, Br- and I- ions incident on N2, in the 0.94-74 keV u-1 energy range. Our measurements can benchmark theory on anion electron detachment at intermediate to high velocities. Comparison between different projectiles shows very similar collision velocity dependencies. A simple geometrical scaling is presented, providing an estimate for electron-detachment cross sections at the MeV u-1 energy range. The presented scaling indicates that the vacuum requirements due to the use of halogen anions for ICF are less critical than previously suggested.

Electron-detachment cross sections of halogen negative-ion projectiles for inertial confinement fusion

International Nuclear Information System (INIS)

Sant'Anna, M M; Zappa, F; Santos, A C F; Barros, A L F de; Wolff, W; Coelho, L F S; Faria, N V de Castro

2004-01-01

Negative-ion beams have recently been suggested as sources of high-energy heavy atoms to be used as drivers for inertial confinement fusion (ICF). Owing to their electron affinities limited to a few eV, anions can be efficiently photo-detached in the vicinity of the fusion chamber, with the resulting high-velocity neutral projectiles following ballistic trajectories towards the hydrogen pellet target. Electron-detachment cross sections are needed as parameters to estimate the beam attenuation in the path from the ion source to the hydrogen pellet. Halogen anions are possible projectile choices. In this paper we present experimental data for total electron-detachment cross sections for F - , Cl - , Br - and I - ions incident on N 2 , in the 0.94-74 keV u -1 energy range. Our measurements can benchmark theory on anion electron detachment at intermediate to high velocities. Comparison between different projectiles shows very similar collision velocity dependencies. A simple geometrical scaling is presented, providing an estimate for electron-detachment cross sections at the MeV u -1 energy range. The presented scaling indicates that the vacuum requirements due to the use of halogen anions for ICF are less critical than previously suggested

Cooperativity of complex salt bridges

OpenAIRE

Gvritishvili, Anzor G.; Gribenko, Alexey V.; Makhatadze, George I.

2008-01-01

The energetic contribution of complex salt bridges, in which one charged residue (anchor residue) forms salt bridges with two or more residues simultaneously, has been suggested to have importance for protein stability. Detailed analysis of the net energetics of complex salt bridge formation using double- and triple-mutant cycle analysis revealed conflicting results. In two cases, it was shown that complex salt bridge formation is cooperative, i.e., the net strength of the complex salt bridge...

Comprehensive evaluation of fracture critical bridges.

Science.gov (United States)

2014-02-01

Two-girder steel bridges are classified as fracture critical bridges based on the definition given in the AASHTO LRFD Bridge Design Specifications. In a fracture critical bridge a failure of a tension member leads to collapse of the bridge. However, ...

Timber in Bridge Structures

OpenAIRE

Detkin, Viktoria

2016-01-01

The purpose of this final year project was to study the properties of timber as a structural material and the suitability of wood in load bearing members for bridge structures. For a case study, an existing timber bridge was selected. Due to its condition the bridge should be replaced. The design of a new bridge with steel beams holding a glulam deck was made. During the case study the replacement of steel beams by glulam timber ones was discussed. Some calculations were made in order to ...

Halogenation dictates the architecture of amyloid peptide nanostructures† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7nr03263c

Science.gov (United States)

Pizzi, Andrea; Pigliacelli, Claudia; Gori, Alessandro; Nonappa; Ikkala, Olli; Demitri, Nicola; Terraneo, Giancarlo; Castelletto, Valeria; Hamley, Ian W.; Baldelli Bombelli, Francesca

2017-01-01

Amyloid peptides yield a plethora of interesting nanostructures though difficult to control. Here we report that depending on the number, position, and nature of the halogen atoms introduced into either one or both phenylalanine benzene rings of the amyloid β peptide-derived core-sequence KLVFF, four different architectures were obtained in a controlled manner. Our findings demonstrate that halogenation may develop as a general strategy to engineer amyloidal peptide self-assembly and obtain new amyloidal nanostructures. PMID:28696473

Field performance of timber bridges. 16, North Siwell Road stress-laminated bridge

Science.gov (United States)

J. A. Kainz

The North Siwell Road bridge was constructed during December 1994 in Hinds County, Mississippi. The bridge is a single-span, stress-laminated T-beam structure that measures 9.1 m (30 ft) long and 8.7 m (28.5 ft) wide. Performance of the bridge was monitored for 24 months, beginning at the time of installation. Monitoring involved gathering and evaluating data relative...

Field performance of timber bridges. 10, Sanborn Brook stress-laminated deck bridge

Science.gov (United States)

P. D. Hilbrich Lee; J. P. Wacker; M. A. Ritter

The Sanborn Brook bridge was constructed in August 1991, 10 miles northeast of Concord, New Hampshire, as part of the demonstration timber bridge program of the USDA Forest Service. The bridge is a simple-span, double-lane, stress-laminated deck superstructure constructed from Southern Pine lumber and is approximately 25 ft long and 28 ft wide with a skew of 14 degrees...

Simulation of multivariate diffusion bridges

DEFF Research Database (Denmark)

Bladt, Mogens; Finch, Samuel; Sørensen, Michael

We propose simple methods for multivariate diffusion bridge simulation, which plays a fundamental role in simulation-based likelihood and Bayesian inference for stochastic differential equations. By a novel application of classical coupling methods, the new approach generalizes a previously...... proposed simulation method for one-dimensional bridges to the mulit-variate setting. First a method of simulating approzimate, but often very accurate, diffusion bridges is proposed. These approximate bridges are used as proposal for easily implementable MCMC algorithms that produce exact diffusion bridges...

High performance of mixed halide perovskite solar cells: Role of halogen atom and plasmonic nanoparticles on the ideal current density of cell

Science.gov (United States)

Mohebpour, Mohammad Ali; Saffari, Mohaddeseh; Soleimani, Hamid Rahimpour; Tagani, Meysam Bagheri

2018-03-01

To be able to increase the efficiency of perovskite solar cells which is one of the most substantial challenges ahead in photovoltaic industry, the structural and optical properties of perovskite CH3NH3PbI3-xBrx for values x = 1-3 have been studied employing density functional theory (DFT). Using the optical constants extracted from DFT calculations, the amount of light reflectance and ideal current density of a simulated single-junction perovskite solar cell have been investigated. The results of DFT calculations indicate that adding halogen bromide to CH3NH3PbI3 compound causes the relocation of energy bands in band structure which its consequence is increasing the bandgap. In addition, the effect of increasing Br in this structure can be seen as a reduction in lattice constant, refractive index, extinction and absorption coefficient. As well, results of the simulation suggest a significant current density enhancement as much as 22% can be achieved by an optimized array of Platinum nanoparticles that is remarkable. This plan is able to be a prelude for accomplishment of solar cells with higher energy conversion efficiency.

Evaluation of modulators and electron-capture detectors for comprehensive two-dimensional GC of halogenated organic compounds

NARCIS (Netherlands)

Kristenson, E.M.; Korytar, P.; Danielsson, C.; Kallio, M.; Brandt, M.; Makela, J.; Vreuls, R.J.J.; Beens, J.; Brinkman, U.A.T.

2003-01-01

Different cryogenic and a heated GC×GC modulator(s) were evaluated and compared for the analysis of high-boiling halogenated compounds. The cryogenic modulators investigated were: (i) the longitudinally modulated cryogenic system; (ii) the liquid-nitrogen-cooled jet modulator (KT2001); (iii) a

Steel-soil composite bridge

DEFF Research Database (Denmark)

Du, Guangli; Pettersson, Lars; Karoumi, Raid

2017-01-01

viability, while their environmental performance is overlooked. Today’s designers are urged to seek new design options to reduce the environmental burdens. Sweden owns more than 24574 bridges and most of them are short spans. Among them, the slab frame bridge (CFB) is a common solution. Soil steel composite...... bridge (SSCB), alternatively, is a functionally equivalent solution to CFB and shows advantages in low cost and easy construction. This paper compares the environmental performance between these two bridge types based on life cycle assessment (LCA). The analysis and result shows that, the SSCB...

Building water bridges in air: Electrohydrodynamics of the floating water bridge

Science.gov (United States)

Marín, Álvaro G.; Lohse, Detlef

2010-12-01

The interaction of electrical fields and liquids can lead to a phenomenon that defies intuition. Some famous examples can be found in electrohydrodynamics as Taylor cones, whipping jets, or noncoalescing drops. A less famous example is the floating water bridge: a slender thread of water held between two glass beakers in which a high voltage difference is applied. Surprisingly, the water bridge defies gravity even when the beakers are separated at distances up to 2 cm. In this paper, experimental measurements and simple models are proposed and discussed for the stability of the bridge and the source of the flow, revealing an important role of polarization forces on the stability of the water bridge. On the other hand, the observed flow can only be explained due to the non-negligible free charge present in the surface. In this sense, the floating water bridge can be considered as an extreme case of a leaky dielectric liquid [J. R. Melcher and G. I. Taylor, Annu. Rev. Fluid Mech. 1, 111 (1969)].

National Bridge Inventory (NBI) Bridges

Data.gov (United States)

Department of Homeland Security — The NBI is a collection of information (database) describing the more than 600,000 of the Nation's bridges located on public roads, including Interstate Highways,...

Wright-Fisher diffusion bridges.

Science.gov (United States)

Griffiths, Robert C; Jenkins, Paul A; Spanò, Dario

2017-10-06

The trajectory of the frequency of an allele which begins at x at time 0 and is known to have frequency z at time T can be modelled by the bridge process of the Wright-Fisher diffusion. Bridges when x=z=0 are particularly interesting because they model the trajectory of the frequency of an allele which appears at a time, then is lost by random drift or mutation after a time T. The coalescent genealogy back in time of a population in a neutral Wright-Fisher diffusion process is well understood. In this paper we obtain a new interpretation of the coalescent genealogy of the population in a bridge from a time t∈(0,T). In a bridge with allele frequencies of 0 at times 0 and T the coalescence structure is that the population coalesces in two directions from t to 0 and t to T such that there is just one lineage of the allele under consideration at times 0 and T. The genealogy in Wright-Fisher diffusion bridges with selection is more complex than in the neutral model, but still with the property of the population branching and coalescing in two directions from time t∈(0,T). The density of the frequency of an allele at time t is expressed in a way that shows coalescence in the two directions. A new algorithm for exact simulation of a neutral Wright-Fisher bridge is derived. This follows from knowing the density of the frequency in a bridge and exact simulation from the Wright-Fisher diffusion. The genealogy of the neutral Wright-Fisher bridge is also modelled by branching Pólya urns, extending a representation in a Wright-Fisher diffusion. This is a new very interesting representation that relates Wright-Fisher bridges to classical urn models in a Bayesian setting. Copyright © 2017 Elsevier Inc. All rights reserved.

Theoretical and Experimental Study of the Friction Behavior of Halogen-Free Ionic Liquids in Elastohydrodynamic Regime

Directory of Open Access Journals (Sweden)

Karthik Janardhanan

2016-05-01

Full Text Available Ionic Liquids have emerged as effective lubricants and additives to lubricants, in the last decade. Halogen-free ionic liquids have recently been considered as more environmentally stable than their halogenated counterparts, which tend to form highly toxic and corrosive acids when exposed to moisture. Most of the studies using ionic liquids as lubricants or additives of lubricants have been done experimentally. Due to the complex nature of the lubrication mechanism of these ordered fluids, the development of a theoretical model that predicts the ionic liquid lubrication ability is currently one of the biggest challenges in tribology. In this study, a suitable and existing friction model to describe lubricating ability of ionic liquids in the elastohydrodynamic lubrication regime is identified and compared to experimental results. Two phosphonium-based, halogen-free ionic liquids are studied as additives to a Polyalphaolefin base oil in steel–steel contacts using a ball-on-flat reciprocating tribometer. Experimental conditions (speed, load and roughness are selected to ensure that operations are carried out in the elastohydrodynamic regime. Wear volume was also calculated for tests at high speed. A good agreement was found between the model and the experimental results when [THTDP][Phos] was used as an additive to the base oil, but some divergence was noticed when [THTDP][DCN] was added, particularly at the highest speed studied. A significant decrease in the steel disks wear volume is observed when 2.5 wt. % of the two ionic liquids were added to the base lubricant.

National Bridge Inventory System (NBI)

Data.gov (United States)

Department of Transportation — The NBI System is the collection of bridge inspection information and costs associated with bridge replacements of structurally deficient bridges on and off the NHS....

Extracorporeal Life Support Bridge to Ventricular Assist Device: The Double Bridge Strategy.

Science.gov (United States)

Marasco, Silvana F; Lo, Casey; Murphy, Deirdre; Summerhayes, Robyn; Quayle, Margaret; Zimmet, Adam; Bailey, Michael

2016-01-01

In patients requiring left ventricular assist device (LVAD) support, it can be difficult to ascertain suitability for long-term mechanical support with LVAD and eventual transplantation. LVAD implantation in a shocked patient is associated with increased morbidity and mortality. Interest is growing in the utilization of extracorporeal life support (ECLS) as a bridge-to-bridge support for these critically unwell patients. Here, we reviewed our experience with ECLS double bridging. We hypothesized that ECLS double bridging would stabilize end-organ dysfunction and reduce ventricular assist device (VAD) implant perioperative mortality. We conducted a retrospective review of prospectively collected data for 58 consecutive patients implanted with a continuous-flow LVAD between January 2010 and December 2013 at The Alfred Hospital, Melbourne, Victoria, Australia. Twenty-three patients required ECLS support pre-LVAD while 35 patients underwent LVAD implantation without an ECLS bridge. Preoperative morbidity in the ECLS bridge group was reflected by increased postoperative intensive care duration, blood loss, blood product use, and postoperative renal failure, but without negative impact upon survival when compared with the no ECLS group. ECLS stabilization improved end-organ function pre-VAD implant with significant improvements in hepatic and renal dysfunction. This series demonstrates that the use of ECLS bridge to VAD stabilizes end-organ dysfunction and reduces VAD implant perioperative mortality from that traditionally reported in these "crash and burn" patients. Copyright © 2015 International Center for Artificial Organs and Transplantation and Wiley Periodicals, Inc.

Radiocarbon content of synthetic and natural semi-volatile halogenated organic compounds

International Nuclear Information System (INIS)

Reddy, C.M.; Xu Li; Eglinton, T.I.; Boon, J.P.; Faulkner, D.J.

2002-01-01

New developments in molecular-level 14 C analysis techniques enable clues about natural versus commercial synthesis of trace organic contaminants. - Some halogenated organic compounds, such as polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins (PCDDs) and polybrominated diphenyl ethers (PBDEs), have been suggested to have natural sources but separating these compounds from their commercially synthesized counterparts is difficult. Molecular-level 14 C analysis may be beneficial since most synthetic compounds are manufactured from petrochemicals ( 14 C-free) and natural compounds should have 'modern' or 'contemporary' 14 C levels. As a baseline study, we measured, for the first time, the 14 C abundance in commercial PCB and PBDE mixtures, a number of organochlorine pesticides, as well as one natural product 2-(3', 5'-dibromo-2'-methoxyphenoxy)-3,5-dibromoanisole. The latter compound was isolated from a marine sponge and is similar in structure to a PBDE. All of the synthetic compounds were 14 C-free except for the pesticide toxaphene, which had a modern 14 C abundance, as did the brominated natural compound. The result for toxaphene was not surprising since it was commercially synthesized by the chlorination of camphene derived from pine trees. These results suggest that measuring the 14 C content of halogenated organic compounds may be quite useful in establishing whether organic compounds encountered in the environment have natural or synthetic origins (or both) provided that any synthetic counterparts derive from petrochemical feedstock

Bridge maintenance to enhance corrosion resistance and performance of steel girder bridges

Science.gov (United States)

Moran Yanez, Luis M.

The integrity and efficiency of any national highway system relies on the condition of the various components. Bridges are fundamental elements of a highway system, representing an important investment and a strategic link that facilitates the transport of persons and goods. The cost to rehabilitate or replace a highway bridge represents an important expenditure to the owner, who needs to evaluate the correct time to assume that cost. Among the several factors that affect the condition of steel highway bridges, corrosion is identified as the main problem. In the USA corrosion is the primary cause of structurally deficient steel bridges. The benefit of regular high-pressure superstructure washing and spot painting were evaluated as effective maintenance activities to reduce the corrosion process. The effectiveness of steel girder washing was assessed by developing models of corrosion deterioration of composite steel girders and analyzing steel coupons at the laboratory under atmospheric corrosion for two alternatives: when high-pressure washing was performed and when washing was not considered. The effectiveness of spot painting was assessed by analyzing the corrosion on steel coupons, with small damages, unprotected and protected by spot painting. A parametric analysis of corroded steel girder bridges was considered. The emphasis was focused on the parametric analyses of corroded steel girder bridges under two alternatives: (a) when steel bridge girder washing is performed according to a particular frequency, and (b) when no bridge washing is performed to the girders. The reduction of structural capacity was observed for both alternatives along the structure service life, estimated at 100 years. An economic analysis, using the Life-Cycle Cost Analysis method, demonstrated that it is more cost-effective to perform steel girder washing as a scheduled maintenance activity in contrast to the no washing alternative.

Strength monitoring of bridge constructions and features of its application. Part 2. Continuous monitoring of bridge construction status

Directory of Open Access Journals (Sweden)

Ovchinnikov Igor Georgievich

2014-06-01

Full Text Available The article describes a system of continuous monitoring of bridge constructions — a system of observation over the operating conditions and behavior of the bridge structure, which is aimed at ensuring the preservation of its functional application properties within the specified limits, realized on the continuous, long-term basis with the use of instrumentation and ensures on-line presentation of information on the status of structure. To illustrate, one may consider the existing systems of continuous monitoring for a number of bridge constructions in the United States, Japan, Europe, South Korea, Greece and Russia. The article suggests to examine the systems of continuous monitoring of «Commodore John Barry» truss bridge, «Akashi-Kaikyo» suspension bridge, «Siggenthal» reinforced-concrete arch bridge, «Nimhe» suspension bridge, «Jindo»cable-stayed bridge, «Yandzhon» suspension bridge, «Banghwa» bridge, «Seohae» bridge and «Rio-Antirrio» bridge. In addition one may consider monitoring of the longitudinal launching of the bridge superstructures over the Volga River near the village Pristannoye in Saratov region. Finally, it was drawn the conclusion that monitoring of bridge constructions from the standpoint of their consumers is aimed at solving such important problems as preservation of bridge structures, increase in service life of bridge structures through timely detection of faults and their elimination, as well as preservation of bridge structure carrying capacity by controlling their behavior during the operation and improving the efficiency of expenditure of monetary resources for repair activities by correct determination of time and type of the necessary repair.

Actinic-radiation curable polymers prepared from a reactive polymer, halogenated cyclic anhydride and glycidyl ester

International Nuclear Information System (INIS)

Pastor, S.D.

1979-01-01

A novel class of photosensitive polymers are disclosed which are prepared by the reaction, preferably in the presence of a catalyst, of a reactive polymer, a halogenated cyclic anhydride and glycidyl ester of an alpha, beta-unsaturated carboxylic acid. These polymers are capable of undergoing vinyl-type polymerization when exposed to actinic radiation

Field performance of timber bridges. 15, Pueblo County, Colorado, stress-laminated deck bridge

Science.gov (United States)

L. E. Hislop

The Pueblo County 204B bridge was constructed in March 1990 in Pueblo, Colorado, as a demonstration bridge under the USDA Forest Service Timber Bridge Initiative. The stress-laminated deck superstructure is approximately 10 m long, 9 m wide, and 406 mm deep, with a skew of 10 degrees. Performance monitoring was conducted for 3 years, beginning at...

Principles of Bridge Reliability

DEFF Research Database (Denmark)

Thoft-Christensen, Palle; Nowak, Andrzej S.

The paper gives a brief introduction to the basic principles of structural reliability theory and its application to bridge engineering. Fundamental concepts like failure probability and reliability index are introduced. Ultimate as well as serviceability limit states for bridges are formulated......, and as an example the reliability profile and a sensitivity analyses for a corroded reinforced concrete bridge is shown....

Design and construction of superstructure in prestressed concrete cable-stayed bridge. ; Aomori Bay Bridge. PC shachokyo jobuko no sekkei to seko. ; Aomori Bay Bridge

Energy Technology Data Exchange (ETDEWEB)

Ishibashi, T.; Fujimori, S.; Oba, M.; Tsuyoshi, T. (East Japan Railway Co., Tokyo (Japan))

1991-12-01

Aomori Bay Bridge is a 1,219m long elevated bridge, a part of No.2 Bay Highway of 1,993m in total length crossing over Aomori railway station which was planned in ordecr to integrate the port facilities of Aomori Harbor and expedite cargo traffic smoothly. Of this Bay Bridge, its main bridge portion crossing over Aomori railway station and the sea area was planned as a continuous prestressed concrete cable-stayed bridge of 498m in total length and consisting of three portions including the central portion in which the main span between the central bridge piers was 240m. It is scheduled to open in the summer of 1992. With regard to the design of this bridge, special care for the view of the bridge has been taken covering from the structure style to the accessories. For this bridge, a large scale underground continuous wall solid base with a box-shaped section consisting of 6 chambers was adopted for the base of a main tower. It has the cantilever suspension structure of the wide girder with the inverted Y-shaped pylons. For its stav cable, was adopted a large capacity stay cable with standard tensile strength of 1,942 fabricated on the site and for its covering tube, a FRP tube was adopted. In this article, the construction of the main girder and stay cables, and the construction control during their installation by projection are reported. 7 refs., 14 figs., 9 tabs.

OGLE-ing the Magellanic system: stellar populations in the Magellanic Bridge

International Nuclear Information System (INIS)

Skowron, D. M.; Jacyszyn, A. M.; Udalski, A.; Szymański, M. K.; Skowron, J.; Poleski, R.; Kozłowski, S.; Kubiak, M.; Pietrzyński, G.; Soszyński, I.; Mróz, P.; Pietrukowicz, P.; Ulaczyk, K.; Wyrzykowski, Ł.

2014-01-01

We report the discovery of a young stellar bridge that forms a continuous connection between the Magellanic Clouds. This finding is based on number density maps for stellar populations found in data gathered by OGLE-IV that fully cover over 270 deg 2 of the sky in the Magellanic Bridge area. This is the most extensive optical survey of this region to date. We find that the young population is present mainly in the western half of the MBR, which, together with the newly discovered young population in the eastern Bridge, form a continuous stream of stars connecting both galaxies along δ ∼ –73.5 deg. The young population distribution is clumped, with one of the major densities close to the SMC and the other fairly isolated and located approximately mid-way between the Clouds, which we call the OGLE island. These overdensities are well matched by H I surface density contours, although the newly found young population in the eastern Bridge is offset by ∼2 deg north from the highest H I density contour. We observe a continuity of red clump stars between the Magellanic Clouds which represent an intermediate-age population. Red clump stars are present mainly in the southern and central parts of the Magellanic Bridge, below its gaseous part, and their presence is reflected by a strong deviation from the radial density profiles of the two galaxies. This may indicate either a tidal stream of stars, or that the stellar halos of the two galaxies overlap. On the other hand, we do not observe such an overlap within an intermediate-age population represented by the top of the red giant branch and the asymptotic giant branch stars. We also see only minor mixing of the old populations of the Clouds in the southern part of the Bridge, represented by the lowest part of the red giant branch.

OGLE-ing the Magellanic system: stellar populations in the Magellanic Bridge

Energy Technology Data Exchange (ETDEWEB)

Skowron, D. M.; Jacyszyn, A. M.; Udalski, A.; Szymański, M. K.; Skowron, J.; Poleski, R.; Kozłowski, S.; Kubiak, M.; Pietrzyński, G.; Soszyński, I.; Mróz, P.; Pietrukowicz, P.; Ulaczyk, K.; Wyrzykowski, Ł., E-mail: dszczyg@astrouw.edu.pl [Warsaw University Astronomical Observatory, Aleje Ujazdowskie 4, 00-478 Warszawa (Poland)

2014-11-10

We report the discovery of a young stellar bridge that forms a continuous connection between the Magellanic Clouds. This finding is based on number density maps for stellar populations found in data gathered by OGLE-IV that fully cover over 270 deg{sup 2} of the sky in the Magellanic Bridge area. This is the most extensive optical survey of this region to date. We find that the young population is present mainly in the western half of the MBR, which, together with the newly discovered young population in the eastern Bridge, form a continuous stream of stars connecting both galaxies along δ ∼ –73.5 deg. The young population distribution is clumped, with one of the major densities close to the SMC and the other fairly isolated and located approximately mid-way between the Clouds, which we call the OGLE island. These overdensities are well matched by H I surface density contours, although the newly found young population in the eastern Bridge is offset by ∼2 deg north from the highest H I density contour. We observe a continuity of red clump stars between the Magellanic Clouds which represent an intermediate-age population. Red clump stars are present mainly in the southern and central parts of the Magellanic Bridge, below its gaseous part, and their presence is reflected by a strong deviation from the radial density profiles of the two galaxies. This may indicate either a tidal stream of stars, or that the stellar halos of the two galaxies overlap. On the other hand, we do not observe such an overlap within an intermediate-age population represented by the top of the red giant branch and the asymptotic giant branch stars. We also see only minor mixing of the old populations of the Clouds in the southern part of the Bridge, represented by the lowest part of the red giant branch.

Impact Coefficient Analysis of Long-Span Railway Cable-Stayed Bridge Based on Coupled Vehicle-Bridge Vibration

Directory of Open Access Journals (Sweden)

Yongle Li

2015-01-01

Full Text Available Compared with medium and small span bridges, very limited attention has been paid on the research of the impact coefficient of long-span railway bridges. To estimate the impact effects of long-span railway bridges subjected to moving vehicles, a real long-span railway cable-stayed bridge is regarded as the research object in this study, and a coupled model of vehicle-bridge system is established. The track irregularities are taken as the system excitation and the dynamic responses of the vehicle-bridge system are calculated. The impact effects on main girder, stayed cable, bearings, and bridge tower are discussed at various vehicle speeds. The results show that different components of the long-span railway cable-stayed bridge have different impact coefficients. Even for each part, the impact coefficient is also different at different local positions. It reveals that the impact coefficients in the actual situation may have significant differences with the related code clauses in the present design codes.

Photochemistry of xenon-halogen Van der Waals complexes (X2 = Cl2, Br2, I2): evidence for the intermediate states in the (Xe-X2)*→ XeX* + X reaction

International Nuclear Information System (INIS)

Boivineau, Michel

1987-01-01

This research thesis addresses the reactivity of excited states of xenon-halogen Van der Waals complexes (Cl 2 , Br 2 , I 2 ) submitted to a multi-photonic excitation. The objective of this study is, by means of a specific experimental approach, to highlight the R*+ X 2 *- to better understand the reaction mechanism, and to study the reactivity of rare gas/halogen systems depending on the halogen nature. After having reported a bibliographical study on each studied system, the author describes the experimental system, reports and discusses experimental results obtained on the different complex systems (chlorine-, bromine- or iodine-based). He finally comments a possible and original application of these works in the development of an excimer laser with a new active medium (the rare gas/halogen Van der Waals complex) which would allow a continuous operation and an easy discharge production [fr

Thromboembolic and major bleeding events in relation to perioperative bridging of vitamin K antagonists in 649 fast-track total hip and knee arthroplasties

DEFF Research Database (Denmark)

Jørgensen, Christoffer C.; Kehlet, Henrik; Husted, Henrik

2017-01-01

Background - The benefit of preoperative bridging in surgical patients with continuous anticoagulant therapy is debatable, and drawing of meaningful conclusions may have been limited by mixed procedures with different thromboembolic and bleeding risks in most published studies.  Patients and meth......Background - The benefit of preoperative bridging in surgical patients with continuous anticoagulant therapy is debatable, and drawing of meaningful conclusions may have been limited by mixed procedures with different thromboembolic and bleeding risks in most published studies.  Patients...... and methods - This was an observational cohort treatment study in consecutive primary unilateral total hip and knee arthroplasty patients between January 2010 and November 2013 in 8 Danish fast-track departments. Data were collected prospectively on preoperative comorbidity and anticoagulants in patients...

Initial bridges between two ribosomal subunits are formed within 9.4 milliseconds, as studied by time-resolved cryo-EM.

Science.gov (United States)

Shaikh, Tanvir R; Yassin, Aymen S; Lu, Zonghuan; Barnard, David; Meng, Xing; Lu, Toh-Ming; Wagenknecht, Terence; Agrawal, Rajendra K

2014-07-08

Association of the two ribosomal subunits during the process of translation initiation is a crucial step of protein synthesis. The two subunits (30S and 50S) of the bacterial 70S ribosome are held together by 12 dynamic bridges involving RNA-RNA, RNA-protein, and protein-protein interactions. The process of bridge formation, such as whether all these bridges are formed simultaneously or in a sequential order, is poorly understood. To understand such processes, we have developed and implemented a class of microfluidic devices that mix two components to completion within 0.4 ms and spray the mixture in the form of microdroplets onto an electron microscopy grid, yielding a minimum reaction time of 9.4 ms before cryofixation. Using these devices, we have obtained cryo-EM data corresponding to reaction times of 9.4 and 43 ms and have determined 3D structures of ribosomal subunit association intermediates. Molecular analyses of the cryo-EM maps reveal that eight intersubunit bridges (bridges B1a, B1b, B2a, B2b, B3, B7a, B7b, and B8) form within 9.4 ms, whereas the remaining four bridges (bridges B2c, B4, B5, and B6) take longer than 43 ms to form, suggesting that bridges are formed in a stepwise fashion. Our approach can be used to characterize sequences of various dynamic functional events on complex macromolecular assemblies such as ribosomes.

The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique

International Nuclear Information System (INIS)

Goldfarb, Jillian L.; Suuberg, Eric M.

2008-01-01

Knowledge of vapor pressures of high molar mass organics is essential to predicting their behavior in combustion systems as well as their fate and transport within the environment. This study involved polycyclic aromatic compounds (PACs) containing halogen hetero-atoms, including bromine and chlorine. The vapor pressures of eight PACs, ranging in molar mass from (212 to 336) g . mol -1 , were measured using the isothermal Knudsen effusion technique over the temperature range of (296 to 408) K. These compounds included those with few or no data available in the literature, namely: 1,4-dibromonaphthalene, 5-bromoacenaphthene, 9-bromoanthracene, 1,5-dibromoanthracene, 9,10-dibromoanthracene, 2-chloroanthracene, 9,10-dichloroanthracene, and 1-bromopyrene. Enthalpies of sublimation of these compounds were determined via application of the Clausius-Clapeyron equation. An analysis is presented on the effects of the addition of halogen hetero-atoms to pure polycyclic aromatic hydrocarbons using these data as well as available literature data. As expected, the addition of halogens onto these PACs increases their enthalpies of sublimation and decreases their vapor pressures as compared to the parent compounds

Field performance of timber bridges. 8, Lynches Woods Park stress-laminated deck bridge

Science.gov (United States)

J. P. Wacker; M. A. Ritter; D. Conger

The Lynches Woods Park bridge was constructed during the summer of 1990 in Newberry, South Carolina. It is a single-span, single-lane, stress-laminated deck superstructure that measures approximately 30 ft long, 16 ft wide, and 14 in. deep. The bridge is unique in that is one of the first known stress-laminated deck bridges to be constructed of Southern Pine lumber...

Salt-bridge energetics in halophilic proteins.

Science.gov (United States)

Nayek, Arnab; Sen Gupta, Parth Sarthi; Banerjee, Shyamashree; Mondal, Buddhadev; Bandyopadhyay, Amal K

2014-01-01

Halophilic proteins have greater abundance of acidic over basic and very low bulky hydrophobic residues. Classical electrostatic stabilization was suggested as the key determinant for halophilic adaptation of protein. However, contribution of specific electrostatic interactions (i.e. salt-bridges) to overall stability of halophilic proteins is yet to be understood. To understand this, we use Adaptive-Poison-Boltzmann-Solver Methods along with our home-built automation to workout net as well as associated component energy terms such as desolvation energy, bridge energy and background energy for 275 salt-bridges from 20 extremely halophilic proteins. We then perform extensive statistical analysis on general and energetic attributes on these salt-bridges. On average, 8 salt-bridges per 150 residues protein were observed which is almost twice than earlier report. Overall contributions of salt-bridges are -3.0 kcal mol-1. Majority (78%) of salt-bridges in our dataset are stable and conserved in nature. Although, average contributions of component energy terms are equal, their individual details vary greatly from one another indicating their sensitivity to local micro-environment. Notably, 35% of salt-bridges in our database are buried and stable. Greater desolvation penalty of these buried salt-bridges are counteracted by stable network salt-bridges apart from favorable equal contributions of bridge and background terms. Recruitment of extensive network salt-bridges (46%) with a net contribution of -5.0 kcal mol-1 per salt-bridge, seems to be a halophilic design wherein favorable average contribution of background term (-10 kcal mol-1) exceeds than that of bridge term (-7 kcal mol-1). Interiors of proteins from halophiles are seen to possess relatively higher abundance of charge and polar side chains than that of mesophiles which seems to be satisfied by cooperative network salt-bridges. Overall, our theoretical analyses provide insight into halophilic signature in its

Could the increased structural versatility imposed by non-halogen ligands bring something new for polynuclear superhalogens? A case study on binuclear [Mg2L5]- (L = -OH, -OOH and -OF) anions.

Science.gov (United States)

Zhao, Ru-Fang; Yu, Le; Zhou, Fu-Qiang; Li, Jin-Feng; Yin, Bing

2017-10-11

A combined ab initio and DFT study is performed in this work to explore the superhalogen properties of polynuclear structures based on the ligands of -OH, -OOH and -OF. According to high-level CCSD(T) results, all the structures here are superhalogens whose properties are superior to the corresponding mononuclear ones. Although inferior to similar structures based on F ligands, some of the superhalogens here are capable of transcending the traditional ones based on Cl atoms. Therefore the superhalogen properties of the anions here are still promising and they have an important advantage of high safety, which is crucial for practical applications. An increased degree of structural versatility is imposed by these non-halogen ligands because of the various ways in which they connect the central atoms and their multiple orientations. It is important that this increased versatility will bring new factors, e.g., the larger spatial extent of the whole cluster and the existence of intra-molecular hydrogen bonds, which should favour high VDE values. These factors are not available in traditional halogen-based systems and they may play an important role in the future search for novel superhalogens. (HF + MP2)/2, ωB97XD as well as M06-2X are capable of providing accurate VDE values, close to the CCSD(T) results, and their absolute errors are even lower than that of the OVGF. Due to the good balance between the accuracy and efficiency, these methods could provide reliable predictions on large systems which cannot be treated with CCSD(T) or even with the OVGF. Balanced distribution of the extra electron, between the terminal and bridging ligands, is also shown to be favourable to realize a high VDE value.

Bridge the Gap

DEFF Research Database (Denmark)

Marselis, Randi

2017-01-01

This article focuses on photo projects organised for teenage refugees by the Society for Humanistic Photography (Berlin, Germany). These projects, named Bridge the Gap I (2015), and Bridge the Gap II (2016), were carried out in Berlin and brought together teenagers with refugee and German...

Bridge technology report

CERN Document Server

2013-01-01

Please note this is a Short Discount publication. As LANs have proliferated, new technologies and system concepts have come to the fore. One of the key issues is how to interconnect networks. One means of interconnection is to use a 'bridge'. Other competing technologies are repeaters, routers, and gateways. Bridges permit traffic isolation, connect network segments together and operate at the MAC layer. Further, because they operate at the MAC layer, they can handle a variety of protocols such as TCP/IP, SNA, and X.25. This report focuses on the specific technology of bridging two netw

A Comparison of the Shear Bond Strength of Orthodontic Brackets Bonded With Light-Emitting Diode and Halogen Light-Curing Units

Directory of Open Access Journals (Sweden)

SM. Abtahi

2006-09-01

Full Text Available Statement of the problem: Various methods such as light emitting diode (LED have been used to enhance the polymerization of resin-based orthodontic adhesives. There is a lack of information on the advantages and disadvantages of different light curing systems.Purpose: The aim of this study was to compare the effect of LED and halogen light curing systems on the shear bond strength of orthodontic brackets.Materials and Methods: Forty extracted human premolars were etched with 37% phosphoric acid and cleansed with water spray and air dried. The sealant was applied on the tooth surface and the brackets were bonded using Transbond adhesive (3M Unitek,Monrovia, Calif. Adhesives were cured for 40 and 20 seconds with halogen (Blue Light, APOZA, Taiwan and LED (Blue dent, Smart, Yugoslavia light-curing systems,respectively. Specimens were thermocycled 2500 times (from 5 to 55 °C and the shear bond strength of the adhesive system was evaluated with an Universal testing machine (Zwick GmbH, Ulm, Germany at a crosshead speed of 1 mm/min until the bracketswere detached from the tooth. Adhesive remnant index (ARI scores were determined after bracket failure. The data were submitted to statistical analysis, using Mann-Whitney analysis and t-test.Results: No significant difference was found in bond strength between the LED and halogen groups (P=0.12. A significant difference was not observed in the adhesive remnant index scores between the two groups (P=0.97.Conclusion: Within the limitations of this in vitro study, the shear bond strength of resin-based orthodontic adhesives cured with a LED was statistically equivalent to those cured with a conventional halogen-based unit. LED light-curing units can be suggested for the polymerization of orthodontic bonding adhesives.

DEM Study of Wet Cohesive Particles in the Presence of Liquid Bridges in a Gas Fluidized Bed

Directory of Open Access Journals (Sweden)

Yurong He

2014-01-01

Full Text Available A modified discrete element method (DEM was constructed by compositing an additional liquid-bridge module into the traditional soft-sphere interaction model. Simulations of particles with and without liquid bridges are conducted in a bubbling fluidized bed. The geometry of the simulated bed is the same as the one in Müller’s experiment (Müller et al., 2008. A comparison between the dry and the wet particular systems is carried out on the bubble behavior, the bed fluctuation, and the mixing process. The bubble in the dry system possesses a regular round shape and falling of scattered particles exists while the bubble boundary of the wet particles becomes rough with branches of agglomerates stretching into it. The mixing of the dry system is quicker than that of the wet system. Several interparticle liquid contents are applied in this work to find their influence on the kinetic characteristic of the wet particle flow. With an increase of liquid content, the mixing process costs more time to be completed. Symmetrical profiles of the velocity and granular temperature are found for two low liquid contents (0.001% and 0.01%, while it is antisymmetrical for the highest liquid content (0.1%.

Experimental investigation of halogen-bond hard-soft acid-base complementarity.

Science.gov (United States)

Riel, Asia Marie S; Jessop, Morly J; Decato, Daniel A; Massena, Casey J; Nascimento, Vinicius R; Berryman, Orion B

2017-04-01

The halogen bond (XB) is a topical noncovalent interaction of rapidly increasing importance. The XB employs a `soft' donor atom in comparison to the `hard' proton of the hydrogen bond (HB). This difference has led to the hypothesis that XBs can form more favorable interactions with `soft' bases than HBs. While computational studies have supported this suggestion, solution and solid-state data are lacking. Here, XB soft-soft complementarity is investigated with a bidentate receptor that shows similar associations with neutral carbonyls and heavy chalcogen analogs. The solution speciation and XB soft-soft complementarity is supported by four crystal structures containing neutral and anionic soft Lewis bases.

Changes in patterns of persistent halogenated compounds through a pelagic food web in the Baltic Sea

DEFF Research Database (Denmark)

Stephansen, Diana Agnete; Svendsen, Tore Christian; Vorkamp, Katrin

2012-01-01

The concentrations and patterns of persistent halogenated compounds (PHCs), including polychlorinated biphenyls (PCBs), DDT, hexachlorocyclohexanes (HCHs), hexachlorobenzene (HCB) and polybrominated diphenyl ethers (PBDEs) were examined in a pelagic food web from the southern Baltic Sea consisting...... for the assessment of PHC patterns, e.g. for tracing migratory fish....

Preparation and properties studies of halogen-free flame retardant form-stable phase change materials based on paraffin/high density polyethylene composites

International Nuclear Information System (INIS)

Cai Yibing; Wei Qufu; Huang Fenglin; Gao Weidong

2008-01-01

The halogen-free flame retardant form-stable phase change materials (PCM) based on paraffin/high density polyethylene (HDPE) composites were prepared by using twin-screw extruder technique. The structures and properties of the form-stable PCM composites based on intumescent flame retardant system with expandable graphite (EG) and different synergistic additives, such as ammonium polyphosphate (APP) and zinc borate (ZB) were characterized by scanning electronic microscope (SEM), thermogravimetric analyses (TGA), dynamic Fourier-transform infrared (FTIR) spectra, differential scanning calorimeter (DSC) and Cone calorimeter test. The TGA results showed that the halogen-free flame retardant form-stable PCM composites produced a larger amount of charred residue at 700 deg. C, although the onset of weight loss of the halogen-free flame retardant form-stable PCM composites occurred at a lower temperature due to the thermal decomposition of flame retardant. The DSC measurements indicated that the additives of flame retardant had little effect on the thermal energy storage property, and the temperatures of phase change peaks and the latent heat of the paraffin showed better occurrence during the freezing process. The dynamic FTIR monitoring results revealed that the breakdowns of main chains (HDPE and paraffin) and formations of various residues increased with increasing thermo-oxidation temperature. It was also found from the Cone calorimeter tests that the peak of heat release rate (PHRR) decreased significantly. Both the decrease of the PHRR and the structure of charred residue after combustion indicated that there was a synergistic effect between the EG and APP, contributing to the improved flammability of the halogen-free flame retardant form-stable PCM composites

Large area inkjet printing for organic photovoltaics and organic light emitting diodes using non-halogenated ink formulations

NARCIS (Netherlands)

Eggenhuisen, T.M.; Coenen, M.J.J.; Slaats, M.W.L.; Groen, W.A.

2014-01-01

The transfer of laboratory scale solution processing of organic electronics to large area roll-to-roll production requires the use of up-scalable deposition techniques. Furthermore, industrial production demands the omission of halogenated and other harmful solvents. Here, the authors discuss large

Field performance of timber bridges. 12, Christian Hollow stress-laminated box-beam bridge

Science.gov (United States)

J. P. Wacker; S. C. Catherman; R. G. Winnett

In January 1992, the Christian Hollow bridge was constructed in Steuben County, New York. The bridge is a single-span, stress-laminated box-beam superstructure that is 9.1 m long, 9.8 m wide, and 502 mm deep (30 ft long, 32 ft wide, and 19-3/4 in. deep). The performance of the bridge was continuously monitored for 28 months, beginning shortly after installation....

A review on the suitability of rubberized concrete for concrete bridge decks

Science.gov (United States)

Syamir Senin, Mohamad; Shahidan, Shahiron; Radziah Abdullah, Siti; Anting Guntor, Nickholas; Syazani Leman, Alif

2017-11-01

Road authorities manage a large population of ageing bridges, a substantial number of which fail to meet the current requirements either due to deterioration and other structural deficiencies or as a result of the escalating demands imposed by increased traffic. This problem is related to the dynamic load from vehicles. This problem can be solved by producing a type of concrete that can reduce the amplitude of oscillation or vibration such as rubberized concrete. Green construction has been a very important aspect in concrete production field in the last decade. One of the most problematic waste materials is scrap tires. The use of scrap tires in civil engineering is increasing by producing rubberized concrete. Rubberized concrete is a type of concrete that is mixed with rubber. The purpose of this review is to justify the suitability of rubberized concrete for concrete bridge decks. Several parameters named physical, chemical and mechanical properties were measured to ensure the suitability of rubberized concrete for concrete bridge decks. Rubberized concrete has similar workability to normal concrete. The rubber reduced the density and compressive strength of the concrete while increased the flexural strength, water absorption and damping ratio. The used of rubber in concrete beyond 20% is not recommended due to decreasing in compressive strength. Rubberized concrete recommended to be used in circumstances where vibration damping was required such as in bridge construction as shock-wave absorber.

Iron Coordination and Halogen-Bonding Assisted Iodosylbenzene Activation

DEFF Research Database (Denmark)

Wegeberg, Christina; Poulsen de Sousa, David; McKenzie, Christine

catalytic mixtures using soluble terminal oxygen transfer agents. Isolation of a reactive iron-terminal oxidant adduct, an unique Fe(III)-OIPh complex, is facilitated by strong stabilizing supramolecular halogen-bonding. L3-edge XANES suggests +1.6 for the average oxidation state for the iodine atom3......The iron complex of the hexadentate ligand N,N,N'-tris(2-pyridylmethyl)ethylendiamine-N'-acetate (tpena) efficiently catalyzes selective oxidations of electron-rich olefins and sulfides by insoluble iodosylbenzene (PhIO). Surprisingly, these reactions are faster and more selective than homogenous...... in the iron(III)-coordinated PhIO. This represents a reduction of iodine relative to the original “hypervalent” (+3) PhIO. The equivalent of electron density must be removed from the {(tpena)Fe(III)O} moiety, however Mössbauer spectroscopy shows that the iron atom is not high valent....

Reactivity of N-heterocyclic carbene-pyridine palladacyclopentadiene complexes toward halogen addition. The unpredictable course of the reaction.

Science.gov (United States)

Visentin, Fabiano; Santo, Claudio; Scattolin, Thomas; Demitri, Nicola; Canovese, Luciano

2017-08-08

As an extension of a previously published work we have reacted some palladacyclopentadiene complexes stabilized by bidentate N-heterocyclic carbene-pyridine or monodentate N-heterocyclic carbene-pyridine and isocyanide ligands with the halogens I 2 and Br 2 . All the bidentate and monodentate complexes react with halogens to give at first the expected σ-coordinated butadienyl fragment. However, two of the less hindered NHC carbene-pyridine bidentate butadienyl iodo derivatives undergo a further rearrangement and novel Pd(ii) complexes characterized by a ten term coordinative ring were isolated and characterized. In the most favorable case we were able to carry out the kinetics of rearrangement and measure its reaction rate. Moreover, we have surmised a plausible mechanism on the basis of a dedicated computational approach and in one case the surprising structure characterized by the ten term coordinative ring was resolved by X-ray diffraction.

Proposal and study of a long-span composite cable-stayed bridge with new hybrid girder; Atarashii gosei kozo shuketa wo mochiita chodai fukugo shachokyo no kenkyu

Energy Technology Data Exchange (ETDEWEB)

Yoshida, K.; Hishiki, Y.; Furuichi, K. [Kajima Corp., Tokyo (Japan)

1999-09-30

A hybrid or mixed structure (composite structures) are a matter of increasing concern which takes in each advantage of steel and concrete. A field of bridges is no exception, with the plan and construction carried out for the new type of composite bridge, such as a composite cable-stayed bridge and a composite extra dose bridge as a long span bridge, and a composite truss bridge and a corrugated steel plate web bridge as a medium-span bridge, with technological development becoming active in this field. In such a technological trend, a hybrid two-girder structure was devised, a structure consisting of a concrete filled steel pipe for a girder and a precast (PC) floor plate for a floor board, as the girder structure of a long-span cable-stayed bridge in the subject research; also, applicability was examined using, as an example, the composite cable-stayed bridge with hybrid girders employed for the span. This paper reports the result of the analysis of the entire system, the analysis made for the purpose of examining the characteristic and the feasibility of this hybrid girder. The analysis revealed the structural feasibility of the long-span composite cable-stayed bridge using two hybrid girders of concrete-filled steel pipes thus devised. (NEDO)

Road Bridges and Culverts, Bridge dataset only includes bridges maintained by Johnson County Public Works in the unincorporated areas, Published in Not Provided, Johnson County Government.

Data.gov (United States)

NSGIC Local Govt | GIS Inventory — Road Bridges and Culverts dataset current as of unknown. Bridge dataset only includes bridges maintained by Johnson County Public Works in the unincorporated areas.

Liquid distribution and cohesion in wet granular assemblies beyond the capillary bridge regime

International Nuclear Information System (INIS)

Scheel, M; Seemann, R; Brinkmann, M; Herminghaus, S; Di Michiel, M; Sheppard, A

2008-01-01

Dry sand turns into a stiff and moldable material as soon as it is mixed with some liquid. This is a direct consequence of the internal liquid-air interfaces spanning between the grains which causes capillary cohesion by virtue of the surface tension of the liquid. As a model for wet granulates we investigated random packings of submillimeter spherical beads mixed with water. Measurements of the tensile strength and the fluidization threshold demonstrate that the mechanical stiffness is rather insensitive to the liquid content over a wide range. Only for a high liquid content, when more than half of the available pore space is filled with liquid, does the capillary cohesion weaken. In order to understand the interplay between the mechanical properties and the liquid content, we investigated the liquid distribution in random packings of glass spheres by means of x-ray microtomography. The three-dimensional images reveal that the liquid forms a network of capillary bridges fused at local triangular bead configurations. The spontaneous organization of the liquid into these ramified structures, which exhibit a large liquid-air interface, is responsible for the constancy of the cohesive forces in a wide range of liquid contents beyond the onset of capillary bridge coalescence.

Laboratory Testing of Precast Bridge Beck Panel Transverse Connections for Use in Accelerated Bridge Construction

OpenAIRE

Porter, Scott D.

2009-01-01

Precast concrete bridge deck panels have been used for decades to accelerate bridge construction. Cracking of the transverse connection between panels is a common problem that can damage deck overlays and cause connection leaking leading to corrosion of lower bridge elements. To better understand the behavior of bridge deck transverse female-to-female connections, shear and moment lab testing were performed at Utah State University for the Utah Department of Transportation. Two existing UDOT ...

Human Errors and Bridge Management Systems

DEFF Research Database (Denmark)

Thoft-Christensen, Palle; Nowak, A. S.

on basis of reliability profiles for bridges without human errors are extended to include bridges with human errors. The first rehabilitation distributions for bridges without and with human errors are combined into a joint first rehabilitation distribution. The methodology presented is illustrated...... for reinforced concrete bridges....

A bridge with a view, a view with a bridge : Identifying design considerations for bridges to strengthen regional identity

NARCIS (Netherlands)

Smits, J.E.P.; van der Hoeven, F.D.

2015-01-01

This paper discusses design considerations for creating high quality infrastructural artefacts with an emphasis on bridges. The authors pursue a design study and analysis approach to highlight the specifics of infrastructure design for regional identity, based on their own work on a bridge

Is an Early Start the Best Start?: Evaluating the Effectiveness of a Political Science Summer Bridge Program

Science.gov (United States)

Woodall, Gina Serignese; Herrera, Richard; Thompson, Joshua R.; Ortega, Jorge Coss

2017-01-01

Summer bridge programs are supposed to connect a graduating high school senior's summer to their first semester in college, easing the transition away from home and into a university setting. Although research is plentiful on the programs, assessments regarding the overall effectiveness of such programs have been mixed (e.g., Cabrera, Miner, and…

Precast concrete elements for accelerated bridge construction : laboratory testing, field testing, evaluation of a precast concrete bridge, Madison County bridge.

Science.gov (United States)

2009-01-01

The importance of rapid construction technologies has been recognized by the Federal Highway Administration (FHWA) and the Iowa : DOT Office of Bridges and Structures. Recognizing this a two-lane single-span precast box girder bridge was constructed ...

High energy halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1978--February 14, 1979

International Nuclear Information System (INIS)

Rack, E.P.

1979-02-01

High energy reactions of halogen atoms or ions, activated by nuclear transformations, were studied in gaseous, high pressure and condensed phase saturated and unsaturated hydrocarbons, halomethanes and other organic systems in order to better understand the mechanisms and dynamics of high energy monovalent species. The experimental and theoretical program consists of six interrelated areas: (1) the reactions of iodine with alkenes and alkynes activated by radiative neutron capture and isomeric transition in low pressure gaseous systems employing additives and rare gas moderators, high pressure and liquid systems; (2) the gas to condensed state transition in halogen high chemistry, involving bromine activated by the (n,γ) and (I.T.) processes in ethane was investigated in more detail; (3) systematics of halogen hot atom reactions. The reactions of 80 Br/sup m/, 80 Br, 82 Br/sup m/ + 82 Br, 82 Br, 128 I, 130 I, and 130 I/sup m/ + 130 I activated by radiative neutron capture or isomeric transition in hydrocarbons and halo-substituted alkanes in low pressure and high pressure gaseous systems employing additives and rare gas moderators; (4) kinetic theory applications of high energy reactions and mathematical development of caging mechanisms were developed; (5) the sterochemistry of 38 Cl substitution reactions involving diastereomeric 1,2-dichloro-1,2-difluorethane in liquid mixtures was completed, suggesting that the stereochemical course of the substitution process is controlled by the properties of the solvent molecules; and (6) the applications of high energy chemistry techniques and theory to neutron activation analysis of biological systems was continued, especially involving aluminum and vanadium trace determinations

BUILDING A BETTER GLUTEAL BRIDGE: ELECTROMYOGRAPHIC ANALYSIS OF HIP MUSCLE ACTIVITY DURING MODIFIED SINGLE-LEG BRIDGES.

Science.gov (United States)

Lehecka, B J; Edwards, Michael; Haverkamp, Ryan; Martin, Lani; Porter, Kambry; Thach, Kailey; Sack, Richard J; Hakansson, Nils A

2017-08-01

Gluteal strength plays a role in injury prevention, normal gait patterns, eliminating pain, and enhancing athletic performance. Research shows high gluteal muscle activity during a single-leg bridge compared to other gluteal strengthening exercises; however, prior studies have primarily measured muscle activity with the active lower extremity starting in 90 ° of knee flexion with an extended contralateral knee. This standard position has caused reports of hamstring cramping, which may impede optimal gluteal strengthening. The purpose of this study was to determine which modified position for the single-leg bridge is best for preferentially activating the gluteus maximus and medius. Cross-Sectional. Twenty-eight healthy males and females aged 18-30 years were tested in five different, randomized single-leg bridge positions. Electromyography (EMG) electrodes were placed on subjects' gluteus maximus, gluteus medius, rectus femoris, and biceps femoris of their bridge leg (i.e., dominant or kicking leg), as well as the rectus femoris of their contralateral leg. Subjects performed a maximal voluntary isometric contraction (MVIC) for each tested muscle prior to performing five different bridge positions in randomized order. All bridge EMG data were normalized to the corresponding muscle MVIC data. A modified bridge position with the knee of the bridge leg flexed to 135 ° versus the traditional 90 ° of knee flexion demonstrated preferential activation of the gluteus maximus and gluteus medius compared to the traditional single-leg bridge. Hamstring activation significantly decreased (p bridge by flexing the active knee to 135 ° instead of 90 ° minimizes hamstring activity while maintaining high levels of gluteal activation, effectively building a bridge better suited for preferential gluteal activation. 3.

The violin bridge as filter.

Science.gov (United States)

Bissinger, George

2006-07-01

The violin bridge filter role was investigated using modal and acoustic measurements on 12 quality-rated violins combined with systematic bridge rocking frequency f(rock) and wing mass decrements deltam on four bridges for two other violins. No isolated bridge resonances were observed; bridge motions were complex (including a "squat" mode near 0.8 kHz) except for low frequency rigid body pivot motions, all more or less resembling rocking motion at higher frequencies. A conspicuous broad peak near 2.3 kHz in bridge driving point mobility (labeled BH) was seen for good and bad violins. Similar structure was seen in averaged bridge, bridge feet, corpus mobilities and averaged radiativity. No correlation between violin quality and BH driving point, averaged corpus mobility magnitude, or radiativity was found. Increasing averaged-over-f(rock) deltam(g) from 0 to 0.12 generally increased radiativity across the spectrum. Decreasing averaged-over-deltam f(rock) from 3.6 to 2.6 kHz produced consistent decreases in radiativity between 3 and 4.2 kHz, but only few-percent decreases in BH frequency. The lowest f(rock) values were accompanied by significantly reduced radiation from the Helmholtz A0 mode near 280 Hz; this, combined with reduced high frequency output, created overall radiativity profiles quite similar to "bad" violins among the quality-rated violins.

Nuclear radiation detector. Realization and study of the G.M. counters with halogens, the multiples anodes

International Nuclear Information System (INIS)

Sekhavat, A.

1975-01-01

A substantial improvement of the halogene GEIGER-MULLER counters properties has been carried out by the research of new anode forms. This amelioration has been revealed by the comparison of the new counters with the classical ones, absolutely identical as to their size and production. The anodes alone are different

Synthesis of All-carbon Chains and Nanoparticles by Chemical Transformation of Halogenated Hydrocarbons at Low Temperatures

Czech Academy of Sciences Publication Activity Database

Kavan, Ladislav

č. 196 (2001), s. 22-38 ISSN 0371-5345 R&D Projects: GA ČR GA203/98/1168; GA ČR GA203/99/1015; GA ČR GA203/00/0634 Institutional research plan: CEZ:AV0Z4040901 Keywords : halogenated hydrocarbon * electrochemical carbon * fullerenes Subject RIV: CG - Electrochemistry

The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts

Directory of Open Access Journals (Sweden)

Kari Raatikainen

2010-01-01

Full Text Available The series of haloanilinium and halopyridinium salts: 4-IPhNH3Cl (1, 4-IPhNH3Br (5, 4-IPhNH3H2PO4 (6, 4-ClPhNH3H2PO4 (8, 3-IPyBnCl (9, 3-IPyHCl (10 and 3-IPyH-5NIPA (3-iodopyridinium 5-nitroisophthalate, 13, where hydrogen or/and halogen bonding represents the most relevant non-covalent interactions, has been prepared and characterized by single crystal X-ray diffraction. This series was further complemented by extracting some relevant crystal structures: 4-BrPhNH3Cl (2, CCDC ref. code TAWRAL, 4-ClPhNH3Cl (3, CURGOL, 4-FPhNH3Cl (4, ANLCLA, 4-BrPhNH3H2PO4, (7, UGISEI, 3-BrPyHCl, (11, CIHBAX and 3-ClPyHCl, (12, VOQMUJ from Cambridge Structural Database for sake of comparison. Based on the X-ray data it was possible to highlight the balance between non-covalent forces acting in these systems, where the relative strength of the halogen bonding C–X···A− (X = I, Br or Cl and the ratio between the halogen and hydrogen bonds [C–X···A− : D–H···A−] varied across the series.

Selective Halogen-Lithium Exchange of 1,2-Dihaloarenes for Successive [2+4] Cycloadditions of Arynes and Isobenzofurans

Directory of Open Access Journals (Sweden)

Shohei Eda

2015-10-01

Full Text Available Successive [2+4] cycloadditions of arynes and isobenzofurans by site-selective halogen-lithium exchange of 1,2-dihaloarenes were developed, allowing the rapid construction of polycyclic compounds which serve as a useful synthetic intermediates for the preparation of various polyacene derivatives.

Simple synthesis of multi-halogen pyrazino [1,2-a]indole-1,8(2H,5aH)-dione

Energy Technology Data Exchange (ETDEWEB)

Yang, Rui Xia; Zhao, Yu Cheng; Kong, Ling Bin; Yan, Sheng Jiao; Lin, Jun [Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University), Ministry Education, School of Chemical Science and Technology, Yunnan University, Kunming (China)

2016-10-15

A concise and efficient one-pot synthesis of multi-halogen pyrazino[1,2-a]indole-1,8(2H,5aH)-dione (MHPID) derivatives by the reaction of an enamino ester with multi-halogen benzoquinone derivatives is described. MHPIDs 3a–3d were obtained with good yields (78–83%) by refluxing enamino esters 1a and 1b and tetrahalogen-1,4-benzoquinones 2a and 2b for 24 h without the use of catalysts. Compounds 3e–3p were also obtained with excellent yields (69–92%) via the reaction of the phenyl-substituted enamino esters 1c–1h with tetrahalogen-1,4-benzoquinones 2a and 2b in CH3CN catalyzed by Cs2CO3. These two protocols are efficient and effective for the synthesis of MHPIDs.

Role of multiprotein bridging factor 1 in archaea: bridging the domains?

NARCIS (Netherlands)

Koning, de B.; Blombach, F.; Wu Hao,; Brouns, S.J.J.; Oost, van der J.

2009-01-01

MBF1 (multiprotein bridging factor 1) is a highly conserved protein in archaea and eukaryotes. It was originally identified as a mediator of the eukaryotic transcription regulator BmFTZ-F1 (Bombyx mori regulator of fushi tarazu). MBF1 was demonstrated to enhance transcription by forming a bridge

Tracing groundwater with low-level detections of halogenated VOCs in a fractured carbonate-rock aquifer, Leetown Science Center, West Virginia, USA

Science.gov (United States)

Plummer, Niel; Sibrell, Philip L.; Casile, Gerolamo C.; Busenberg, Eurybiades; Hunt, Andrew G.; Schlosser, Peter

2013-01-01

Measurements of low-level concentrations of halogenated volatile organic compounds (VOCs) and estimates of groundwater age interpreted from 3H/3He and SF6 data have led to an improved understanding of groundwater flow, water sources, and transit times in a karstic, fractured, carbonate-rock aquifer at the Leetown Science Center (LSC), West Virginia. The sum of the concentrations of a set of 16 predominant halogenated VOCs (TDVOC) determined by gas chromatography with electron-capture detector (GC–ECD) exceeded that possible for air–water equilibrium in 34 of the 47 samples (median TDVOC of 24,800 pg kg−1), indicating that nearly all the water sampled in the vicinity of the LSC has been affected by addition of halogenated VOCs from non-atmospheric source(s). Leakage from a landfill that was closed and sealed nearly 20 a prior to sampling was recognized and traced to areas east of the LSC using low-level detection of tetrachloroethene (PCE), methyl chloride (MeCl), methyl chloroform (MC), dichlorodifluoromethane (CFC-12), and cis-1,2-dichloroethene (cis-1,2-DCE). Chloroform (CHLF) was the predominant VOC in water from domestic wells surrounding the LSC, and was elevated in groundwater in and near the Fish Health Laboratory at the LSC, where a leak of chlorinated water occurred prior to 2006. The low-level concentrations of halogenated VOCs did not exceed human or aquatic-life health criteria, and were useful in providing an awareness of the intrinsic susceptibility of the fractured karstic groundwater system at the LSC to non-atmospheric anthropogenic inputs. The 3H/3He groundwater ages of spring discharge from the carbonate rocks showed transient behavior, with ages averaging about 2 a in 2004 following a wet climatic period (2003–2004), and ages in the range of 4–7 a in periods of more average precipitation (2008–2009). The SF6 and CFC-12 data indicate older water (model ages of 10s of years or more) in the low-permeability shale of the Martinsburg

Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteries.

Science.gov (United States)

Razavi, Razieh; Abrishamifar, Seyyed Milad; Rajaei, Gholamreza Ebrahimzadeh; Kahkha, Mohammad Reza Rezaei; Najafi, Meysam

2018-02-21

The applicability of C 44 , B 22 N 22 , Ge 44 , and Al 22 P 22 nanocages, as well as variants of those nanocages with an adsorbed halogen atom, as high-performance anode materials in Li-ion, Na-ion, and K-ion batteries was investigated theoretically via density functional theory. The results obtained indicate that, among the nanocages with no adsorbed halogen atom, Al 22 P 22 would be the best candidate for a novel anode material for use in metal-ion batteries. Calculations also suggest that K-ion batteries which utilize these nanocages as anode materials would give better performance and would yield higher cell voltages than the corresponding Li-ion and Na-ion batteries with nanocage-based anodes. Also, the results for the nanocages with an adsorbed halogen atom imply that employing them as anode materials would lead to higher cell voltages and better metal-ion battery performance than if the nanocages with no adsorbed halogen atom were to be used as anode materials instead. Results further implied that nanocages with an adsorbed F atom would give higher cell voltages and better battery performance than nanocages with an adsorbed Cl or Br atom. We were ultimately able to conclude that a K-ion battery that utilized Al 21 P 22 with an adsorbed F atom as its anode material would afford the best metal-ion battery performance; we therefore propose this as a novel highly efficient metal-ion battery. Graphical abstract The results of a theoretical investigation indicated that Al 22 P 22 is a better candidate for a high-performance anode material in metal-ion batteries than Ge 44 is. Calculations also showed that K-ion batteries with nanocage-based anodes would produce higher cell voltages and perform better than the equivalent Li-ion and Na-ion batteries with nanocage-based anodes, and that anodes based on nanocages with an adsorbed F atom would perform better than anodes based on nanocages with an adsorbed Cl or Br atom.

23 CFR 650.809 - Movable span bridges.

Science.gov (United States)

2010-04-01

... 23 Highways 1 2010-04-01 2010-04-01 false Movable span bridges. 650.809 Section 650.809 Highways FEDERAL HIGHWAY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION ENGINEERING AND TRAFFIC OPERATIONS BRIDGES, STRUCTURES, AND HYDRAULICS Navigational Clearances for Bridges § 650.809 Movable span bridges. A fixed bridge...

A general mixed mode fracture mechanics test specimen: The DCB-specimen loaded with uneven bending moments

Energy Technology Data Exchange (ETDEWEB)

Soerensen, B.F.; Joergensen, K.; Oestergaard, R.C. [Risoe National Lab., Materials Dept., Roskilde (Denmark); Jacobsen, T.K. [LM Glasfiber A/S, Lunderskov (Denmark)

2004-03-01

A mixed mode specimen is proposed for fracture mechanics characterisation of adhesive joints, laminates and multilayers. The specimen is a double cantilever beam specimen loaded with uneven bending moments at the two free beams. By varying the ratio between the two applied moments, the full mode mixity range from pure mode I to pure mode II can be generated for the same specimen geometry. The specimen allows stable crack growth. In case of large scale crack bridging, mixed mode cohesive laws can be obtained by a J integral based approach. As a preliminary example, fracture of adhesive joints between two glass-fibre laminates was studied. The mixed mode fracture resistance increased with increasing crack length due to fibre cross over bridging, eventually reaching a steady-state level (R-curve behaviour). The steady-state fracture toughness level increased with increasing tangential crack opening displacement. Cohesive stresses were determined by a J integral approach. The deducted shear stress was found to be relative high ({approx} = 20 MPa) in comparison with the normal stress ({approx} = 1 MPa). (au)

Steam reforming of low-level mixed waste. Final report

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-06-01

ThermoChem has successfully designed, fabricated and operated a nominal 90 pound per hour Process Development Unit (PDU) on various low-level mixed waste surrogates. The design, construction, and testing of the PDU as well as performance and economic projections for a 300-lb/hr demonstration and commercial system are described. The overall system offers an environmentally safe, non-incinerating, cost-effective, and publicly acceptable method of processing LLMW. The steam-reforming technology was ranked the No. 1 non-incineration technology for destruction of hazardous organic wastes in a study commissioned by the Mixed Waste Focus Area and published in April 1997. The ThermoChem steam-reforming system has been developed over the last 13 years culminating in this successful test campaign on LLMW surrogates. Six surrogates were successfully tested including a 750-hour test on material simulating a PCB- and Uranium-contaminated solid waste found at the Portsmouth Gaseous Diffusion Plant. The test results indicated essentially total (> 99.9999%) destruction of RCRA and TSCA hazardous halogenated organics, significant levels of volume reduction (> 400 to 1), and retention of radionuclides in the volume-reduced solids. Economic evaluations have shown the steam-reforming system to be very cost competitive with more conventional and other emerging technologies.

Steam reforming of low-level mixed waste. Final report

International Nuclear Information System (INIS)

1998-06-01

ThermoChem has successfully designed, fabricated and operated a nominal 90 pound per hour Process Development Unit (PDU) on various low-level mixed waste surrogates. The design, construction, and testing of the PDU as well as performance and economic projections for a 300-lb/hr demonstration and commercial system are described. The overall system offers an environmentally safe, non-incinerating, cost-effective, and publicly acceptable method of processing LLMW. The steam-reforming technology was ranked the No. 1 non-incineration technology for destruction of hazardous organic wastes in a study commissioned by the Mixed Waste Focus Area and published in April 1997. The ThermoChem steam-reforming system has been developed over the last 13 years culminating in this successful test campaign on LLMW surrogates. Six surrogates were successfully tested including a 750-hour test on material simulating a PCB- and Uranium-contaminated solid waste found at the Portsmouth Gaseous Diffusion Plant. The test results indicated essentially total (> 99.9999%) destruction of RCRA and TSCA hazardous halogenated organics, significant levels of volume reduction (> 400 to 1), and retention of radionuclides in the volume-reduced solids. Economic evaluations have shown the steam-reforming system to be very cost competitive with more conventional and other emerging technologies

Sustainable Bridge Infrastructure Procurement

DEFF Research Database (Denmark)

Safi, Mohammed; Du, Guangli; Simonsson, Peter

2016-01-01

The lack of a flexible but systematic approach for integrating lifecycle aspects into bridge investment decisions is a major obstacle hindering the procurement of sustainable bridge infrastructures. This paper addresses this obstacle by introducing a holistic approach that agencies could use...... to procure the most “sustainable” (lifecycle-efficient) bridge through a fair design-build (D-B) tendering process, considering all the main aspects: life-cycle cost (LCC), service life-span, aesthetic demands and environmental impacts (LCA)....

New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

KAUST Repository

Hamieh, Ali Imad Ali

2017-01-01

The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

KAUST Repository

Hamieh, Ali Imad

2017-02-01

The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

Nonlinearity in oscillating bridges

Directory of Open Access Journals (Sweden)

Filippo Gazzola

2013-09-01

Full Text Available We first recall several historical oscillating bridges that, in some cases, led to collapses. Some of them are quite recent and show that, nowadays, oscillations in suspension bridges are not yet well understood. Next, we survey some attempts to model bridges with differential equations. Although these equations arise from quite different scientific communities, they display some common features. One of them, which we believe to be incorrect, is the acceptance of the linear Hooke law in elasticity. This law should be used only in presence of small deviations from equilibrium, a situation which does not occur in widely oscillating bridges. Then we discuss a couple of recent models whose solutions exhibit self-excited oscillations, the phenomenon visible in real bridges. This suggests a different point of view in modeling equations and gives a strong hint how to modify the existing models in order to obtain a reliable theory. The purpose of this paper is precisely to highlight the necessity of revisiting the classical models, to introduce reliable models, and to indicate the steps we believe necessary to reach this target.

Coupling vibration research on Vehicle-bridge system

Science.gov (United States)

Zhou, Jiguo; Wang, Guihua

2018-01-01

The vehicle-bridge coupling system forms when vehicle running on a bridge. It will generate a relatively large influence on the driving comfort and driving safe when the vibration of the vehicle is bigger. A three-dimensional vehicle-bridge system with biaxial seven degrees of freedom has been establish in this paper based on finite numerical simulation. Adopting the finite element transient numerical simulation to realize the numerical simulation of vehicle-bridge system coupling vibration. Then, analyze the dynamic response of vehicle and bridge while different numbers of vehicles running on the bridge. Got the variation rule of vertical vibration of car body and bridge, and that of the contact force between the wheel and bridge deck. The research results have a reference value for the analysis about the vehicle running on a large-span cabled bridge.

Nondestructive testing for bridge diagnosis

International Nuclear Information System (INIS)

Oshima, Toshiyuki; Mikami, Shuichi; Yamazaki, Tomoyuki

1997-01-01

There are many motivations for bridge diagnosis using Nondestructive testing (NDT) to monitor its integrity. The measured frequency and damping on real bridge are compared in one figure as a function of span length and general aspects are explained. These date were measured in every construction of bridges and applied to design new bridges. Ultrasonic testing is also well used for concrete and steel members mainly to detect internal damages or delaminations. Detail analysis on reflected waves gives us more accurate information about the defect. Experimental results are shown as examples in this paper.

Salt bridges: geometrically specific, designable interactions.

Science.gov (United States)

Donald, Jason E; Kulp, Daniel W; DeGrado, William F

2011-03-01

Salt bridges occur frequently in proteins, providing conformational specificity and contributing to molecular recognition and catalysis. We present a comprehensive analysis of these interactions in protein structures by surveying a large database of protein structures. Salt bridges between Asp or Glu and His, Arg, or Lys display extremely well-defined geometric preferences. Several previously observed preferences are confirmed, and others that were previously unrecognized are discovered. Salt bridges are explored for their preferences for different separations in sequence and in space, geometric preferences within proteins and at protein-protein interfaces, co-operativity in networked salt bridges, inclusion within metal-binding sites, preference for acidic electrons, apparent conformational side chain entropy reduction on formation, and degree of burial. Salt bridges occur far more frequently between residues at close than distant sequence separations, but, at close distances, there remain strong preferences for salt bridges at specific separations. Specific types of complex salt bridges, involving three or more members, are also discovered. As we observe a strong relationship between the propensity to form a salt bridge and the placement of salt-bridging residues in protein sequences, we discuss the role that salt bridges might play in kinetically influencing protein folding and thermodynamically stabilizing the native conformation. We also develop a quantitative method to select appropriate crystal structure resolution and B-factor cutoffs. Detailed knowledge of these geometric and sequence dependences should aid de novo design and prediction algorithms. Copyright © 2010 Wiley-Liss, Inc.

An Expert System for Concrete Bridge Management

DEFF Research Database (Denmark)

Brito, J. de; Branco, F. A.; Thoft-Christensen, Palle

1997-01-01

The importance of bridge repair versus new bridge construction has risen in recent decades due to high deterioration rates that have been observed in these structures. Budgets both for building new bridges and keeping the existing ones are always limited. To help rational decision-making, bridge...... management systems are presently being implemented by bridge authorities in several countries. The prototype of an expert system for concrete bridge management is presented in this paper, with its functionality relying on two modules. The inspection module relies on a periodic acquisition of field...... information complemented by a knowledge-based interactive system, BRIDGE-1. To optimize management strategies at the headquarters, the BRIDGE-2 module was implemented, including three submodules: inspection strategy, maintenance and repair....

Model predictive control for a dual active bridge inverter with a floating bridge

OpenAIRE

Chowdhury, Shajjad; Wheeler, Patrick W.; Gerada, C.; Patel, Chintan

2016-01-01

This paper presents a Model Predictive Control technique applied to a dual active bridge inverter where one of the bridges is floating. The proposed floating bridge topology eliminates the need for isolation transformer in a dual inverter system and therefore reduces the size, weight and losses in the system. To achieve multilevel output voltage waveforms the floating inverter DC link capacitor is charged to the half of the main DC link voltage. A finite-set Model Predictive Control technique...

Bridge over troubled water?

DEFF Research Database (Denmark)

Svendsen, Gunnar Lind Haase; Nannestad, Peter; Svendsen, Gert Tinggaard

2008-01-01

The problem of integrating non-Western immigrants into Western welfare states is the focus of this paper. To address this issue, we suggest a social capital approach in which we apply the conceptual pair of bridging social capital (BR), which connects an individual to the broader social structure...... relationship between the levels of bridging and bonding capital, suggesting that bonding social capital in the immigrant group does not seem to impede the establishment of the bridging social capital needed for integration....

Bridge and steel structures. History and vision on bridge erection; Kyoryo kokozobutsu. Kasetsu gijutsu no shorai

Energy Technology Data Exchange (ETDEWEB)

Mukai, S.; Hayashi, T. [Sumitomo Heavy Industries, Ltd., Tokyo (Japan)

1998-08-20

This paper describes the progress of bridge erection technology. It introduces the results of cable erection, rotated/extruded erection, and cantilever erection. The cable erection is a multi point suspension erection using cables. For the rotated/extruded erection, the monolithic construction is conducted on a working yard set in a right angle to the construction position, and the horizontal beams of the bridge piers (corbel girders) are constructed by the rotated method using a slewing base incorporated around the bridge piers at one side. For the construction of stiffening girders of Innoshima-ohashi Bridge of Honshu-Shikoku Joint Bridge in 1978, trussed face bar blocks were extruded from the main tower in order using a travel crane. For the suspension bridges and cable stayed bridges, main towers were erected using various types of cranes. The erection of Tamashima-ohashi Bridge with a weight of 500 ton using an offshore floating crane is introduced as a large block method. Analysis methods and measurement techniques at the site are used in order to analyze the shape in each step under the erection and to ensure the accurate final complete shape. Reduction of the construction cost, improvement of erection technology, and technology development for large-scale projects are subjects in the future. 22 refs., 8 figs., 1 tab.

Mechanistic studies of copper(I)-catalyzed 1,3-halogen migration.

Science.gov (United States)

Van Hoveln, Ryan; Hudson, Brandi M; Wedler, Henry B; Bates, Desiree M; Le Gros, Gabriel; Tantillo, Dean J; Schomaker, Jennifer M

2015-04-29

An ongoing challenge in modern catalysis is to identify and understand new modes of reactivity promoted by earth-abundant and inexpensive first-row transition metals. Herein, we report a mechanistic study of an unusual copper(I)-catalyzed 1,3-migration of 2-bromostyrenes that reincorporates the bromine activating group into the final product with concomitant borylation of the aryl halide bond. A combination of experimental and computational studies indicated this reaction does not involve any oxidation state changes at copper; rather, migration occurs through a series of formal sigmatropic shifts. Insight provided from these studies will be used to expand the utility of aryl copper species in synthesis and develop new ligands for enantioselective copper-catalyzed halogenation.

Effect of an in-plane ligand on the electronic structures of bromo-bridged nano-wire Ni-Pd mixed-metal complexes, [Ni(1-x)Pd(x)(bn)2Br]Br2 (bn = 2S,3S-diaminobutane).

Science.gov (United States)

Sasaki, Mari; Wu, Hashen; Kawakami, Daisuke; Takaishi, Shinya; Kajiwara, Takashi; Miyasaka, Hitoshi; Breedlove, Brian K; Yamashita, Masahiro; Kishida, Hideo; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shinichi

2009-08-03

Single crystals of quasi-one-dimensional bromo-bridged Ni-Pd mixed-metal complexes with 2S,3S-diaminobutane (bn) as an in-plane ligand, [Ni(1-x)Pd(x)(bn)(2)Br]Br(2), were obtained by using an electrochemical oxidation method involving mixed methanol/2-propanol (1:1) solutions containing different ratios of [Ni(II)(bn)(2)]Br(2) and [Pd(II)(bn)(2)]Br(2). To investigate the competition between the electron-correlation of the Ni(III) states, or Mott-Hubbard states (MH), and the electron-phonon interaction of the Pd(II)-Pd(IV) mixed valence states, or charge-density-wave states (CDW), in the Ni-Pd mixed-metal compounds, X-ray structure analyses, X-ray oscillation photograph, and Raman, IR, ESR, and single-crystal reflectance spectra were analyzed. In addition, the local electronic structures of Ni-Pd mixed-metal single crystals were directly investigated by using scanning tunneling microscopy (STM) at room temperature and ambient pressure. The oxidation states of [Ni(1-x)Pd(x)(bn)(2)Br]Br(2) changed from a M(II)-M(IV) mixed valence state to a M(III) MH state at a critical mixing ratio (x(c)) of approximately 0.8, which is lower than that of [Ni(1-x)Pd(x)(chxn)(2)Br]Br(2) (chxn = 1R,2R-diaminocyclohexane) (x(c) approximately 0.9) reported previously. The lower value of x(c) for [Ni(1-x)Pd(x)(bn)(2)Br]Br(2) can be explained by the difference in their CDW dimensionalities because the three-dimensional CDW ordering in [Pd(bn)(2)Br]Br(2) observed by using X-ray diffuse scattering stabilizes the Pd(II)-Pd(IV) mixed valence state more than two-dimensional CDW ordering in [Pd(chxn)(2)Br]Br(2) does, which has been reported previously.

Dragon bridge - the world largest dragon-shaped (ARCH steel bridge as element of smart city

Directory of Open Access Journals (Sweden)

Chinh Luong Minh

2016-01-01

Full Text Available Dragon Bridge - The world’s largest dragon-shaped steel bridge, with an installation cost of $85 million USD, features 6 lanes for two separate directions, 666 meters of undulating steel in the shape of a dragon in the Ly Dynasty, the symbol of prosperity in Vietnamese culture. This unique and beautifully lit bridge, which also breathes fire and sprays water. It’s the purposeful integration of the lighting hardware articulates the dragon’s form, and the fire-breathing dragon head. This project transcends the notion of monumental bridge with dynamic colour-changing lighting, creating an iconic sculpture in the skyline that is both reverent and whimsical. The signature feature of the bridge was the massive undulating support structure resembling a dragon flying over the river. The dragon is prominent in Vietnamese culture as a symbol of power and nobility. Dragon Bridge stands out as a model of innovation. It has received worldwide attention in the design community and from the global media for its unique arch support system. Dragon Bridge serves as an example of how aesthetic quality of a design can serve cultural, economic and functional purposes. The article presents design solutions of the object and the evaluation of the technical condition before putting the facility into service.

Experimental investigation of different fill materials in arch bridges with particular focus on Pearl-Chain Bridges

DEFF Research Database (Denmark)

Lund, Mia Schou Møller; Hansen, Kurt Kielsgaard; Hertz, Kristian Dahl

2016-01-01

Pearl-Chain Bridge technology is a recently developed prefabricated arch solution for road and railway bridges allowing faster, more environmentally friendly, and cheaper bridge construction. This study compared the strength and durability properties of three different types of fill material...

Modification of potentially lethal damage in irradiated Chinese hamster V79 cells after incorporation of halogenated pyrimidines

NARCIS (Netherlands)

Franken, N. A.; van Bree, C. V.; Kipp, J. B.; Barendsen, G. W.

1997-01-01

Radiosensitization of exponentially growing and plateau phase Chinese hamster V79 cells by incorporation of halogenated pyrimidines (HP) was investigated for different culture conditions that influenced repair. For this purpose cells were grown for 72 h with 0, 1, 2 and 4 microM of chloro-(CldUrd),

Bridge element deterioration rates.

Science.gov (United States)

2008-10-01

This report describes the development of bridge element deterioration rates using the NYSDOT : bridge inspection database using Markov chains and Weibull-based approaches. It is observed : that Weibull-based approach is more reliable for developing b...

Bridge-Vehicle Impact Assessment

Science.gov (United States)

2011-08-01

Bridges in New York State have been experiencing close to 200 bridge hits a year. These : accidents are attributed to numerous factors including: improperly stored equipment on trucks; : violation of vehicle posting signs; illegal commercial vehicles...

Bridge vehicle impact assessment.

Science.gov (United States)

2011-12-01

Bridges in New York State have been experiencing close to 200 bridge hits a year. These : accidents are attributed to numerous factors including: improperly stored equipment on trucks; : violation of vehicle posting signs; illegal commercial vehicles...

Wireless Smart Sensor Network System Using SmartBridge Sensor Nodes for Structural Health Monitoring of Existing Concrete Bridges

Science.gov (United States)

Gaviña, J. R.; Uy, F. A.; Carreon, J. D.

2017-06-01

There are over 8000 bridges in the Philippines today according to the Department of Public Works and Highways (DPWH). Currently, visual inspection is the most common practice in monitoring the structural integrity of bridges. However, visual inspections have proven to be insufficient in determining the actual health or condition of a bridge. Structural Health Monitoring (SHM) aims to give, in real-time, a diagnosis of the actual condition of the bridge. In this study, SmartBridge Sensor Nodes were installed on an existing concrete bridge with American Association of State Highway and Transportation Officials (AASHTO) Type IV Girders to gather vibration of the elements of the bridge. Also, standards on the effective installation of SmartBridge Sensor Nodes, such as location and orientation was determined. Acceleration readings from the sensor were then uploaded to a server, wherein they are monitored against certain thresholds, from which, the health of the bridge will be derived. Final output will be a portal or webpage wherein the information, health, and acceleration readings of the bridge will be available for viewing. With levels of access set for different types of users, the main users will have access to download data and reports. Data transmission and webpage access are available online, making the SHM system wireless.

Development and application of compact denuder sampling techniques with in situ derivatization followed by gas chromatography-mass spectrometry for halogen speciation in volcanic plumes

Science.gov (United States)

Rüdiger, Julian; Bobrowski, Nicole; Hoffmann, Thorsten

2015-04-01

Volcanoes are a large source for several reactive atmospheric trace gases including sulphur and halogen containing species. The detailed knowledge of volcanic plume chemistry can give insights into subsurface processes and can be considered as a useful geochemical tool for monitoring of volcanic activity, especially halogen to sulphur ratios (e.g. Bobrowski and Giuffrida, 2012; Donovan et al., 2014). The reactive bromine species bromine monoxide (BrO) is of particular interest, because BrO as well as SO2 are readily measurable by UV spectrometers at a safe distance. Furthermore it is formed in the plume by a multiphase reaction mechanism under depletion of ozone in the plume. The abundance of BrO changes as a function of the reaction time and therefore distance from the vent as well as the spatial position in the plume. Due to the lack of analytical approaches for the accurate speciation of certain halogens (HBr, Br2, Br, BrCl, HOBr etc.) there are still uncertainties about the magnitude of volcanic halogen emissions and in particular their specificationtheir species and therefore also in the understanding of the bromine chemistry in volcanic plumes (Bobrowski et al., 2007). In this study, the first application of a 1,3,5-trimethoxybenzene (1,3,5-TMB)-coated gas diffusion denuder (Huang and Hoffmann, 2008) on volcanic gases proved to be suitable to collect selectively gaseous bromine species with oxidation states of +1 or 0 (Br2 and BrO(H)), while being ignorant to HBr (OS -1). The reaction of 1,3,5-TMB with bromine gives 1-bromo-2,4,6-trimethoxybenzene (1-bromo-2,4,6-TMB) - other halogens give corresponding products. The diffusion denuder technique allows sampling of gaseous compounds exclusively without collecting particulate matter. Choosing a flow rate of 500 mL-min-1 and a denuder length of 0.5 m a nearly quantitative collection efficiency was achieved. Solvent elution of the derivatized analytes and subsequent analysis with gas chromatography

Solid ion-conducting material, its use, and method for its manufacture. Festes Ionenleitermaterial, seine Verwendung und Verfahren zu dessen Herstellung

Energy Technology Data Exchange (ETDEWEB)

Wichelhaus, W; Weppner, W; Hartwig, P

1984-04-19

The invention concerns a solid ion conducting material for a battery. Lithium nitride and lithium halogen compounds are mixed in the required mol ratio under an inert gas, compressed and the compressed substance is quickly heated in a nitrogen atmosphere to 460 to 550 deg C, and then tempered at 350 to 450 deg C until the reaction is finished. The lithium halogen compound and lithium metal can also be mixed in the required mol ratio and heated under nitrogen. Here the required temperature is 150 to 500 deg C. The lithium nitride halogen compouhnds exist as crystals. They are suitable for use as the electrolyte in batteries.

Bis(tetraphenylphosphonium di-μ-iodido-bis[diiodidotellurate(II

Directory of Open Access Journals (Sweden)

Risto S. Laitinen

2008-12-01

Full Text Available The structure of the title compound, (C24H20P2[Te2I6], is composed of discrete PPh4+ cations and centrosymmetric [Te2I6]2− anions. The tellurium(II atom shows a sligthly distorted square-planar TeI4 geometry and is coordinated to two bridging and two terminal iodine atoms. The planar [Te2I6]2− ions are isolated by the cations and no intermolecular tellurium–halogen or halogen–halogen interactions are present.

Horizontal bridges in polar dielectric liquids

Science.gov (United States)

Woisetschläger, Jakob; Wexler, Adam D.; Holler, Gert; Eisenhut, Mathias; Gatterer, Karl; Fuchs, Elmar C.

2012-01-01

When a high-voltage direct-current is applied to two beakers filled with polar liquid dielectrica like water or methanol, a horizontal bridge forms between the two beakers. By repeating a version of Pellat's experiment, it is shown that a horizontal bridge is stable by the action of electrohydrodynamic pressure. Thus, the static and dynamic properties of the phenomenon called a `floating water bridge' can be explained by the gradient of Maxwell pressure, replenishing the liquid within the bridge against any drainage mechanism. It is also shown that a number of liquids can form stable and long horizontal bridges. The stability of such a connection, and the asymmetry in mass flow through such bridges caused by the formation of ion clouds in the vicinity of the electrodes, is also discussed by two further experiments.

LTBP bridge performance primer.

Science.gov (United States)

2013-12-01

"The performance of bridges is critical to the overall performance of the highway transportation system in the United States. However, many critical aspects of bridge performance are not well understood. The reasons for this include the extreme diver...

Analytical model of asymmetrical Mixed-Mode Bending test of adhesively bonded GFRP joint

Czech Academy of Sciences Publication Activity Database

Ševčík, Martin; Hutař, Pavel; Vassilopoulos, Anastasios P.; Shahverdi, M.

2015-01-01

Roč. 9, č. 34 (2015), s. 237-246 ISSN 1971-8993 R&D Projects: GA MŠk(CZ) EE2.3.30.0063; GA ČR GA15-09347S Institutional support: RVO:68081723 Keywords : GFRP materials * Mixed-Mode bending * Fiber bridging * Analytical model Subject RIV: JL - Materials Fatigue, Friction Mechanics

33 CFR 115.70 - Advance approval of bridges.

Science.gov (United States)

2010-07-01

... 33 Navigation and Navigable Waters 1 2010-07-01 2010-07-01 false Advance approval of bridges. 115... BRIDGES BRIDGE LOCATIONS AND CLEARANCES; ADMINISTRATIVE PROCEDURES § 115.70 Advance approval of bridges. (a) The General Bridge Act of 1946 requires the approval of the location and plans of bridges prior...

Influence of halogen irradiance on short- and long-term wear resistance of resin-based composite materials.

LENUS (Irish Health Repository)

Bhamra, Gurcharn S

2009-02-01

The Oregon Health Science University (OHSU) four-chamber oral wear simulator was used to examine the impact of halogen irradiance on the short- and long-term wear behavior of four-methacrylate resin-based composites (RBCs). The hypothesis proposed was that exacerbated wear would occur following the long-term wear of RBCs irradiated under non-optimized irradiance conditions.

Numerical analysis of dynamic response of vehicle–bridge coupled system on long-span continuous girder bridge

Directory of Open Access Journals (Sweden)

Lipeng An

2016-07-01

Full Text Available To systematically study the vehicle–bridge coupled dynamic response and its change rule with different parameters, a vehicle model with seven degrees of freedom was built and the total potential energy of vehicle space vibration system was deduced. Considering the stimulation of road roughness, the dynamic response equation of vehicle–bridge coupled system was established in accordance with the elastic system principle of total potential energy with stationary value and the “set-in-right-position” rule. On the basis of the self-compiled Fortran program and bridge engineering, the dynamic response of long-span continuous girder bridge under vehicle load was studied. This study also included the calculation of vehicle impact coefficient, evaluation of vibration comfort, and analysis of dynamic response parameters. Results show the impact coefficient changes with lane number and is larger than the value calculated by the “general code for design of highway bridges and culverts (China”. The Dieckmann index of bridge vibration is also related to lane number, and the vibration comfort evaluation is good in normal conditions. The relevant conclusions from parametric analyses have practical significance to dynamic design and daily operation of long-span continuous girder bridges in expressways. Safety and comfort are expected to improve significantly with further control of the vibration of vehicle–bridge system.

Bridge Scour Technology Transfer

Science.gov (United States)

2018-01-24

Scour and flooding are the leading causes of bridge failures in the United States and therefore should be monitored. New applications of tools and technologies are being developed, tested, and implemented to reduce bridge scour risk. The National Coo...

Revised Rules for Concrete Bridges

DEFF Research Database (Denmark)

Thoft-Christensen, Palle; Jensen, F. M.; Middleton, C.

This paper is based on research performed for the Highway Agency, London, UK under the project DPU/9/44 "Revision of Bridge Assessment Rules Based on Whole Life Performance: Concrete Bridges" It contains details of a methodology which can be used to generate Whole Life (WL) reliability profiles....... These WL reliability profiles may be used to establish revised rules for Concrete Bridges....

The stories of two bridges in Ghana

DEFF Research Database (Denmark)

Andreasen, Jørgen

2004-01-01

Public participation in bridge building was promoted by un habitat in the village of Mankrong. The neighbouring village did not participate in the construction of their bridge. The first flooding washed the second bridge down while the "participative bridge" stood up....

Possibilities of analyzing dump and sewage gas, and determination of halogen and sulfur compounds

Energy Technology Data Exchange (ETDEWEB)

Eisenmann, R

1985-01-01

In connection with the utilization of refuse and sewage gas efficacions analytical methods are gaining increasing importance especially with regard to halogen and sulfur compounds. The paper describes various possibilities to determine those substances. Besides gas chromatography it takes into account classic analytical methods which can be superior in biogas analytics to modern physical processes. The advantages and disadvantages of each method are discussed and practical experiences obtained by their application reported.

The gas-chromatographic and gas-chromatographic-mass-spectrometric identification of halogen-containing organic compounds

Science.gov (United States)

Gidaspov, B. V.; Zenkevich, I. G.; Rodin, A. A.

1989-09-01

The problem of identifying halogen-containing organic compounds in their gas-chromatographic and gas-chromatographic-mass-spectrometric (GC-MS) determination in different materials has been examined. Particular attention has been paid not to the complete characterisation of methods for carrying out this analysis but to the most important problem of increasing the selectivity at the stages of sampling, separation, and interpretation of the gas-chromatographic and GC-MS information. The bibliography contains 292 references.

Effect of halogenated benzenes on acetanilide esterase, acetanilide hydroxylase and procaine esterase in rats.

Science.gov (United States)

Carlson, G P; Dziezak, J D; Johnson, K M

1979-07-01

1,2,4-Trichlorobenzene, 1,3,5-trichlorobenzene, hexachlorobenzene, 1,2,4-tribromobenzene, 1,3,5-tribromobenzene and hexabromobenzene were compared for their abilities to induce acetanilide esterase, acentailide hydroxylase and procaine esterase. Except for hexabromobenzene all induced acetanilide esterase whereas the hydroxylation of acetanilide was seen only with the fully halogenated benzenes and with 1,3,5-tribromobenzene. Hepatic procaine esterase activity was increased by the three chlorinated benzenes and 1,2,4-tribromobenzene.

On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds

Czech Academy of Sciences Publication Activity Database

Kolář, Michal; Hobza, Pavel

2012-01-01

Roč. 8, č. 4 (2012), s. 1325-1333 ISSN 1549-9618 R&D Projects: GA ČR GBP208/12/G016 Grant - others:European Science Fund(XE) CZ.1.05/2.1.00/03.0058 Institutional research plan: CEZ:AV0Z40550506 Keywords : halogen bond * molecular mechanics * sigma-hole Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.389, year: 2012

Bridging the Gap

DEFF Research Database (Denmark)

Dahlberg, Rasmus

2016-01-01

The fixed link between Denmark and Sweden connects two busy cities and a large international airport with many of its travelers and employees. 18,000 vehicles and 160 passenger trains transport each day more than 70,000 people across the combined road and rail Øresund Bridge and through the Øresu...... in its final report to the Danish and Swedish transport authorities while drawing upon experiences from two recent comparable cases of infrastructure disruptions: The Champlain Bridge (2009) and the Forth Road Bridge (2015).......The fixed link between Denmark and Sweden connects two busy cities and a large international airport with many of its travelers and employees. 18,000 vehicles and 160 passenger trains transport each day more than 70,000 people across the combined road and rail Øresund Bridge and through the Øresund...... Tunnel, approximately 25,000 of them critical to the regional work market. Even though the risk analysis states that the likelihood of a long-term closure (100C days) is very low Danish and Swedish transport authorities have demanded that the infrastructure operator conducts a survey of the preparedness...

49 CFR 236.766 - Locking, movable bridge.

Science.gov (United States)

2010-10-01

... 49 Transportation 4 2010-10-01 2010-10-01 false Locking, movable bridge. 236.766 Section 236.766... Locking, movable bridge. The rail locks, bridge locks, bolt locks, circuit controllers, and electric locks used in providing interlocking protection at a movable bridge. ...

Dynamic assessment of bridge deck performance considering realistic bridge-traffic interaction : research brief

Science.gov (United States)

2017-09-01

This study is to develop simulation methodology to conduct the dynamic assessment of bridge deck performance subjected to traffic. Concrete bridge decks are exposed to daily traffic loads and may experience some surface cracking caused by excessive s...

Development of a precast bridge deck overhang system for the rock creek bridge.

Science.gov (United States)

2008-12-01

Precast, prestressed panels are commonly used at interior beams for bridges in Texas. The use of these : panels provides ease of construction, sufficient capacity, and good economy for the construction of : bridges in Texas. Current practice for the ...

Field performance of timber bridges. 13, Mohawk Canal stress-laminated bridge

Science.gov (United States)

P. D. Hilbrich Lee; X. Lauderdale

The Mohawk Canal bridge was constructed in August 1994, just outside Roll, Arizona. It is a simple-span, double-lane, stress-laminated deck superstructure, approximately 6.4 m (21 ft) long and 10.4 m (34 ft) wide and constructed with Combination 16F-V3 Douglas Fir glued-laminated timber beam laminations. The performance of the bridge was monitored continuously for 2...

Development of inspection robots for bridge cables.