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Sample records for mol belgium 4 5

  1. Corrosion inhibition of iron in 0.5 mol L-1 H2SO4 by halide ions

    Directory of Open Access Journals (Sweden)

    Jeyaprabha C.

    2006-01-01

    Full Text Available The inhibition effect of halide ions such as iodide, bromide and chloride ions on the corrosion of iron in 0.5 mol L-1 H2SO4 and the adsorption behaviour of these ions on the electrode surface have been studied by polarization and impedance methods. It has been found that the inhibition of nearly 90% has been observed for iodide ions at 2.5 10-3 mol L-1, for bromide ions at 10 10-3 mol L-1 and 80% for chloride ions at 2.5 10-3 mol L-1. The inhibition effect is increased with increase of halide ions concentration in the case of I- and Br- ions, whereas it has decreased in the case of Cl- ion at concentrations higher than 5 10-3 mol L-1. The double layer capacitance values have decreased considerably in the presence of halide ions which indicate that these anions are adsorbed on iron at the corrosion potential.

  2. Dopant occupancy and UV-VIS-NIR spectroscopy of Mg (0, 4, 5 and 6 mol.%):Dy:LiNbO3 crystal

    Science.gov (United States)

    Dai, Li; Liu, Chunrui; Han, Xianbo; Wang, Luping; Tan, Chao; Yan, Zhehua; Xu, Yuheng

    2017-09-01

    A series of Dy:LiNbO3 crystals with x mol.% Mg2+ ions (x =0, 4, 5 and 6 mol.%) were grown by the Czochralski method. The effective segregation coefficient of Mg2+ and Dy3+ ions was studied by the inductively coupled plasma-atomic emission spectrometry (ICP-AES). UV-VIS-NIR absorption spectra and Judd-Ofelt theory were used to investigate their spectroscopic properties. J-O intensity parameters (Ω2 = 7.53 × 10‑20cm2, Ω4 = 6.98 × 10‑20cm2, and Ω6 = 3.09 × 10‑20cm2) and larger spectroscopic quality factor (X = 2.26) for Mg:(6 mol.%)Dy:LiNbO3 crystals were obtained.

  3. Atmospheric air pollutants: CO in Nitrogen, 5 μmol/mol

    Science.gov (United States)

    Konopelko, L. A.; Pankratov, V. V.; Pankov, A. A.; Ivahnenko, B. V.; Efremova, O. V.; Bakovec, N. V.; Mironchik, A. M.; Aleksandrov, V. V.

    2017-01-01

    This article presents the report on the COOMET supplementary comparison "Atmospheric air pollutants: CO in Nitrogen, 5 μmol/mol". Carbon monoxide (CO) is present in atmosphere due to different natural and anthropogenic sources. CO is a toxic gas and in concentrations higher than (3-5) μmol/mol it is hazardous to human health. Main text To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCQM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

  4. Exploratory and structural data analysis of a sandy aquifer at Mol/Dessel, Belgium

    Science.gov (United States)

    Rogiers, Bart; Mallants, Dirk; Batelaan, Okke; Gedeon, Matej; Huysmans, Marijke; Dassargues, Alain

    2010-05-01

    In the framework of the disposal of short-lived low- and intermediate-level radioactive waste in a near-surface disposal facility in Dessel, Belgium, additional extensive site characterization has been performed in 2008. The gathered data now enclose 388 hydraulic conductivity measurements on samples of 8 cored boreholes. Additionally, secondary information as grain size analysis, resistivity, porosity, etc. was gathered. With this dataset, a small-scale probabilistic approach can be used 1) to validate the current existing deterministic groundwater models based on large-scale average hydraulic conductivity values, and 2) to support design for a monitoring network. In preparation for stochastic realizations of the subsurface, an exploratory and structural data analysis was performed and is presented here. The exploratory data analysis allows definition of hydrogeological units, independent from the existing lithostratigraphy. It also shows the presence of three conductivity classes within a strongly heterogeneous unit. Currently, only vertical structural data analysis is performed based on vertical data profiles. Semi-variograms and cross-variograms are calculated to characterize the spatial variance of the different hydrogeological units. Additional sampling and measurements will be performed in the future to provide information of the horizontal spatial variance. Together with the current results, these will serve as the basis for conditional stochastic simulation of groundwater flow and contaminant transport.

  5. Measurements of plume geometry and argon-41 radiation field at the BR1 reactor in Mol, Belgium

    Energy Technology Data Exchange (ETDEWEB)

    Drews, M.; Joergensen, H.; Lauritzen, Bent; Mikkelsen, T. [Risoe National Lab. (Denmark); Aage, H.K.; Korsbech, U. [Technical Univ. of Denmark (Denmark); Bargholz, K. [Danish Emergency Management Agency (Denmark); Rojas-Palma, C.; Ammel, R. van [Belgian Nuclear Res. Center (Belgium)

    2002-02-01

    An atmospheric dispersion experiment was conducted using a visible tracer along with the routine releases of {sup 41}Ar from the BR1 air-cooled research reactor in Mol. In the experiment, simultaneous measurements of the radiation field from the {sup 41}Ar decay, the meteorology, the {sup 41}Ar source term and plume geometry were performed. The visible tracer was injected into the reactor emission stack, and the plume cross section determined by Lidar scanning of the released aerosols. The data collected in the exercise provide a valuable resource for atmospheric dispersion and dose rate modeling. (au)

  6. Building a conceptual framework for evaluating human-induced hydrological changes during the last millennium in the Mol-Dessel area (NE Belgium)

    Science.gov (United States)

    Beerten, Koen; Leterme, Bertrand; Jacques, Diederik

    2014-05-01

    pine plantations, would certainly have amplified the lowering of the groundwater table. In the course of the 20th century, the construction of sand pits and the development of new industries (build area) have probably compensated the gradual deforestation with respect to the local hydrology. The hydrological changes associated with the profound human-induced transformation of the landscape seem to have left traces in soil profiles. Clear discrepancies between the position of the present-day groundwater table and the position of palaeo-wetness indicators can be observed. References Beerten, K., Deforce, K., Mallants, D., 2012. Landscape evolution and changes in soil hydraulic properties at the decadal, centennial and millennial scale: A case study from the Campine area, northern Belgium. Catena, 95, 73-84. Vandersmissen, N., Beerten, K., Deforce, K., Vandenberghe, N., submitted. Late Quaternary (15 ka to present) development of a sandy landscape in the Mol area, Campine region, NE Belgium.

  7. Incorporation of strontium up to 5 Mol. (% to hydroxyapatite did not affect its cytocompatibility

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    Débora dos Santos Tavares

    2011-12-01

    Full Text Available The aim of this work was to produce hydroxyapatite (HA granules containing 0, 0.5, 1 and 5 mol. (% of strontium (Sr, evaluate the physico-chemical properties and also the cytotoxicity by three different parameters of cell viability (ISO 10993-5, 10993-12. The physico-chemical characterization was carried out by using X-ray diffraction (XRD, Fourier-transform infrared spectroscopy (FTIR and X-ray fluorescence (XRF. The XRD profile presented the main peaks of HA (JCPDS 860740 and the absorption bands of HA were identified by FTIR. The XRF results showed that the strontium concentration was close to the theoretical value. Regarding the cytotoxicity assays, the incorporation of strontium up to 5 mol. (% to the HA did not affected dehydrogenase activity (XTT, 2,3-bis[2-methyloxy-4-nitro-5-sulfophenyl]-2H-tetrazolium-5-carboxanilide, membrane integrity (neutral red uptake or DNA contend (incorporation of crystal violet, in relation to HA alone. In conclusion, hydroxyapatite containing from 0.5 to 5 mol. (% of Sr was successfully produced and presented no cytotoxicity.

  8. Crystal structure of 5-amino-5'-chloro-6-(4-chloro-benzo-yl)-8-nitro-2,3-di-hydro-1H-spiro-[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one including an unknown solvent mol-ecule.

    Science.gov (United States)

    Nagalakshmi, R A; Suresh, J; Sivakumar, S; Kumar, R Ranjith; Lakshman, P L Nilantha

    2014-09-01

    The asymmetric unit of the title compound, C21H15Cl2N5O4, contains two independent mol-ecules (A and B) having similar conformations. The amine (NH2) group forms an intra-molecular hydrogen bond with the benzoyl group, giving an S(6) ring motif in both mol-ecules. The central six-membered rings adopt sofa conformations and the imidazole rings are planar (r.m.s deviations = 0.0150 and 0.0166 Å). The pyridine and imidazole rings are inclined to one another by 3.54 (1) and 3.03 (1)° in mol-ecules A and B, respectively. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming chains along the a axis which enclose R 2 (2)(16) ring motifs. The rings are linked by weak N-H⋯O and C-H⋯O hydrogen bonds and C-H⋯π inter-actions forming sheets lying parallel to (001). A region of disordered electron density, most probably disordered solvent mol-ecules, occupying voids of ca 753 Å(3) for an electron count of 260, was treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. Their formula mass and unit-cell characteristics were not taken into account during refinement.

  9. Energías de Interacción y Geometrías de Equilibrio para Aglomeraciones de 1,2-propanodiol con 3, 4, 5 y 6 Moléculas de Agua Interaction Energies and Equilibrium Geometries for Clusters 1,2-propanediol with 3, 4, 5 and 6 Water Molecules

    Directory of Open Access Journals (Sweden)

    Adolfo E Ensuncho

    2011-01-01

    Full Text Available Se reportan las geometrías de equilibrio y energías de interacción de aglomeraciones (clusters formadas por los sistemas 1,2-propanodiol con 3, 4, 5 y 6 moléculas de agua. Esto con el fin de avanzar en la comprensión de las interacciones que predominan a nivel molecular en compuestos tipo dioles alifáticos con agua. Las aglomeraciones fueron generadas estocásticamente, seleccion adas mediante una prueba de aceptación metrópolis modificado implementado en el programa Recocido Simulado (Simulated Annealing con Energía Cuántica y optimizados con el nivel de teoría B3LYP/6-31G(d. Las diferentes configuraciones generadas se caracterizaron por la formación preferencial de geometrías cíclicas. En estas geometrías, los enlaces de hidrógeno primario jugaron un rol fundamental en la estabilidad y probabilidad de existencia de estos agregados moleculares.The equilibrium geometries and interaction energies in clusters of 1,2-propanediol with 3,4,5 and 6 water molecules were evaluated. This was done to better comprehend the predominant interactions existing at molecular level in aliphatic diols with water. The clusters were stochastically generated and selected by using a modified metropolis acceptance test implemented in the S imulated A nnealing program with Quantum E nergy software. The geometry of these systems was optimized by B3LYP/6-31G(d calculations. The different generated configurations were characterized by the preferential formation of cyclic geometries. In these geometries, the primary hydrogen bonds have a fundamental role on the stability and probability of existence of these molecular aggregates.

  10. Ionic molal conductivities, activity coefficients, and dissociation constants of HAsO42− and H2AsO4− from 5 to 90°C and ionic strengths from 0.001 up to 3 mol kg−1 and applications in natural systems

    Science.gov (United States)

    Zhu, Xiangyu; Nordstrom, D. Kirk; McCleskey, R. Blaine; Wang, Rucheng

    2016-01-01

    Arsenic is known to be one of the most toxic inorganic elements, causing worldwide environmental contamination. However, many fundamental properties related to aqueous arsenic species are not well known which will inhibit our ability to understand the geochemical behavior of arsenic (e.g. speciation, transport, and solubility). Here, the electrical conductivity of Na2HAsO4 solutions has been measured over the concentration range of 0.001–1 mol kg−1 and the temperature range of 5–90°C. Ionic strength and temperature-dependent equations were derived for the molal conductivity of HAsO42−and H2AsO4− aqueous ions. Combined with speciation calculations and the approach used by McCleskey et al. (2012b), these equations can be used to calculate the electrical conductivities of arsenic-rich waters having a large range of effective ionic strengths (0.001–3 mol kg−1) and temperatures (5–90°C). Individual ion activity coefficients for HAsO42− and H2AsO4− in the form of the Hückel equation were also derived using the mean salt method and the mean activity coefficients of K2HAsO4 (0.001–1 mol kg−1) and KH2AsO4 (0.001–1.3 mol kg−1). A check on these activity coefficients was made by calculating mean activity coefficients for Na2HAsO4 and NaH2AsO4 solutions and comparing them to measured values. At the same time Na-arsenate complexes were evaluated. The NaH2AsO40 ion pair is negligible in NaH2AsO4 solutions up to 1.3 mol kg−1. The NaHAsO4− ion pair is important in NaHAsO4 solutions >0.1 mol kg−1 and the formation constant of 100.69 was confirmed. The enthalpy, entropy, free energy and heat capacity for the second and third arsenic acid dissociation reactions were calculated from pH measurements. These properties have been incorporated into a widely used geochemical calculation code WATEQ4F and applied to natural arsenic waters. For arsenic spiked water samples from Yellowstone National Park, the mean difference between the

  11. Adhesive evaluation of thin films of LARC-TPI and LARC-TPI with 5 mol % ODA

    Science.gov (United States)

    Progar, D. J.

    1986-01-01

    A commercially available LARC-TPI film and an experimentally prepared film of LARC-TPI with 5 mol % of 4,4'-oxydianiline (ODA), designated as LARC-TPI/ODA in the report, supplied by Mitsui Toatsu Chemicals, Incorporated (MTCI), Japan, were evaluated as thermoplastic adhesive films for bonding Ti-6Al-4V. The LARC-TPI/ODA had been shown by MTCI to possess more flow than thermoplastic LARC-TPI and was, therefore, evaluated and compared to the LARC-TPI. Lap shear strength was used to evaluate the materials as adhesives. They were characterized after fracture by determining the glass transition temperature, Tg. The mode of failure was also reported. Thermal exposure at 204C for 500 and 1000 hrs and a 72-hour water-boil were conducted on lap shear specimens prepared with the two adhesive films. Lap shear tests were conducted at RT, 177C, 204C, and 232C before and after exposures.

  12. Correlation of radiative properties of rare earth ions (Pr3+ and Nd3+) in chlorophosphate glasses—0.1 and 0.5 mol% concentrations

    Indian Academy of Sciences (India)

    Y C Ratnakaram; A Viswanadha Reddy

    2001-10-01

    Optical properties of chlorophosphate glasses of the type 50P2O5–30Na2HPO4–20RCl (R = potassium and lead) activated by 0.1 and 0.5 mol% of Pr3+ and Nd3+ have been investigated. Optical band gaps (opt) have been reported for 0.1 and 0.5 mol% concentrations of Pr3+ and Nd3+ doped potassium and lead chlorophosphate glasses. Energy levels and optical transitions of Pr3+ and Nd3+ are assigned. Spectroscopic parameters (1, 2, 3, 4f and ), spectral intensities (expt), Judd–Ofelt intensity parameters (2, 4 and 6) and radiative lifetimes (R) are correlated for 0.1 and 0.5 mol% concentrations of these two ions in potassium and lead chlorophosphate glasses

  13. Absorption Behavior of Anion Exchange Resin to Minimal Plutonium in 3 to 4 mol/L Nitric Acid Medium

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    <正>The acidity of liquor in the process of plutonium purification using extraction method is 3 to 4 mol/L and liquor contains minimal plutonium of certain concentration, the reclamation of plutonium is usually

  14. Thermal sensor properties of PANI(EB)–CSA ( = 0.4 ± 0.1 mol) polymer thin films

    Indian Academy of Sciences (India)

    T Prakash; S A K Narayan Dass; K Prem Nazeer

    2002-11-01

    Films of polyaniline(EB) doped with camphor sulfonic acid (CSA) from -cresol on glass substrates exhibit considerable metallic properties. Such polymer metallic films have thermal sensitivity superior to ceramic metal (Cermet) films, prepared by metallo organic deposition (MOD) technique on silicon substrates. These PANI(EB)–CSA ( = 0.5, 0.4, 0.3 mol) polymer films were developed through controlled temperature atmosphere 60 ± 2°C for 60 min, and with the help of temperature dependence of resistivity (ρ) values, high temperature coefficient of resistance (TCR) i.e. values, and figure of merit (ρ ) values of these films, thermal sensitivity were compared from that we observed. Among the three doping ratios the PANI(EB)–CSA$_{0.3 mol}$ film (4.4 m thick) on glass substrate resistivity (ρ) values in the range of 838–1699 .m with high TCR i.e. = 10,291 ppm/°C and figure of merit (ρ ) value in range of 8.62–17.48 m/°C seems to be the best. This paper deals with these superior thermal-sensing properties together with optical studies and surface topography by atomic force microscopy (AFM). These polymer films offer design advantages in developing ‘thin film polymer thermal sensor’.

  15. Barley yellow mosaic virus is overcoming RYM4 resistance in Belgium.

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    Vaïanopoulos, C; Legreve, A; Moreau, V; Steyer, S; Maraite, H; Bragard, C

    2007-01-01

    Barley yellow mosaic virus (BaYMV) is the causal agent of a soil-borne systemic mosaic disease on barley. It has been reported in Belgium since the 1980s. The control of this disease is managed almost exclusively through the use of resistant varieties. The resistance of most commercial barley cultivars grown in Europe is conferred mainly by a single recessive gene, rym4. This monogenic resistance provides immunity against BaYMV pathotype 1 and has been mapped on barley chromosome 3HL and shown to be caused by mutations in the translation initiation factor eIF4E. Another pathotype, BaYMV pathotype 2, which appeared in the late 1980s (in Belgium, in the early 1990s), is able to overcome the rym4-controlled resistance. Until recently, this pathotype remained confined to specific locations. During a systematic survey in 2003, mosaic symptoms were observed only on susceptible barley cultivars collected in Belgian fields. BaYMV was detected by ELISA and RT-PCR on the susceptible cultivars and only by RT-PCR on the resistant cultivars. In 2004, mosaic symptoms were observed on susceptible and resistant cultivars. BaYMV was detected by ELISA and RT-PCR on both cultivars. In addition to developing RT-PCR methods for detecting and identifying BaYMV and Barley mild mosaic virus (BaMMV), an RT-PCR targeting the VPg/NIa viral protein part of the genome, known to discriminate the two BaYMV pathotypes, was set up to accurately identify the pathotype(s) now present in Belgium. The sequences from the generated amplicons revealed the single nucleotide substitution resulting in an amino acid change from lysine to asparagine specific to BaYMV pathotype 2. The possible reasons for the change in the BaYMV pathotype situation in Belgium, such as climatic change or a progressive build-up of soil inoculum potential, will be discussed, as well as the use of eIF4E-based resistance.

  16. Mol 7C/6; Mol 7C/6

    Energy Technology Data Exchange (ETDEWEB)

    Aberle, J.; Schleisiek, K.; Schmuck, I.; Schmidt, L.; Romer, O.; Weih, G.

    1995-08-01

    The Mol 7C/6 coolant blockage experiment in the Belgian BR2 reactor yielded results different from Mol 7C experiments with low burnup pins: At 10% burnup local failure is not self-limiting, but requires active systems for detection and scram. The Mol 7C series was finished in 1991. In each of the test bundles Mol 7C/4, /5 and /6, 30 Mk I pins pre-irradiated in KNK II were used. The central blockage consisted of enriched UO{sub 2} covering 30 percent of the bundle cross-section, with a height of 40 mm. The most important system for timely detection of coolant blockages of the type studied in Mol 7C/6 is based on DND. (orig.)

  17. Modelling High Resolution Absorption Spectra with ExoMolLine Lists: NH3and CH4

    DEFF Research Database (Denmark)

    Barton, E. J.; Yurchenko, S. N.; Tennyson, J.;

    The conditions, chemical reactions and gas mixing in industrial progresses involving gasification or combustion can be monitored by in situ measurement of gas temperature and gas composition. This can be done spectroscopically, though the result is highly dependent on the quality of reference data...... [1]. For this reason, a smart collaboration has been established between Optical Diagnostics Group at DTU and ExoMol, to combine high resolution spectra measured at elevated temperatures and empirically tuned ab initio methods to produce suitable molecular line lists for modelling molecules...

  18. Stability assessment of gas mixtures containing terpenes at nominal 5 nmol/mol contained in treated aluminum gas cylinders.

    Science.gov (United States)

    Rhoderick, George C

    2010-10-01

    Studies of climate change increasingly recognize the diverse influences exerted by terpenes in the atmosphere, including roles in particulates, ozone formation, and their oxidizing potential. Measurements of key terpenes suggest atmospheric concentrations ranging from low pmol/mol (parts per trillion) to nmol/mol (parts per billion), depending on location and compound. To accurately establish concentration trends, assess the role of terpenes in atmospheric chemistry, and relate measurement records from many laboratories and researchers, it is essential to have good calibration standards. The feasibility of preparing well-characterized, stable gas cylinder standards for terpenes at the nmol/mol level is not yet well established. Several of the world's National Metrology Institutes (NMIs) are researching the feasibility of developing primary and secondary reference gas standards at the nmol/mol level for terpenes. The US NMI, the National Institute of Standards and Technology, has prepared several nmol/mol mixtures, in treated aluminum gas cylinders, containing terpenes in dry nitrogen at nominal 5 nmol/mol for stability studies. Overall, 11 terpenes were studied for stability. An initial gas mixture containing nine terpenes, one oxygenate, and six aromatic compounds, including benzene as an internal standard, was prepared. Results for four of the nine terpenes in this initial mixture indicate stability in these treated aluminum gas cylinders for over 6 months and project long term (years) stability. Interesting results were seen for beta-pinene, which when using a linear equation rate decline predicts that it will reach a zero concentration level at day 416. At the same time, increases in alpha-pinene, D: -limonene (R-(+)-limonene), and p-cymene were observed, including camphene, a terpene not prepared in the gas mixture, indicating a chemical transformation of beta-pinene to these species. Additional mixtures containing combination of either alpha-pinene, camphor

  19. First isolation of hepatitis E virus genotype 4 in Europe through swine surveillance in the Netherlands and Belgium.

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    Renate W Hakze-van der Honing

    Full Text Available Hepatitis E virus (HEV genotypes 3 and 4 are a cause of human hepatitis and swine are considered the main reservoir. To study the HEV prevalence and characterize circulating HEV strains, fecal samples from swine in the Netherlands and Belgium were tested by RT-PCR. HEV prevalence in swine was 7-15%. The Dutch strains were characterized as genotype 3, subgroups 3a, 3c and 3f, closely related to sequences found in humans and swine earlier. The HEV strains found in Belgium belonged to genotypes 3f and 4b. The HEV genotype 4 strain was the first ever reported in swine in Europe and an experimental infection in pigs was performed to isolate the virus. The genotype 4 strain readily infected piglets and caused fever and virus shedding. Since HEV4 infections have been reported to run a more severe clinical course in humans this observation may have public health implications.

  20. Effect of Co{sub 3}O{sub 4} content on sintering and microstructure of 4% mol yttria stabilized zirconia ceramics; Efeito do teor de Co{sub 3}O{sub 4} na sinterizacao e microestrutura de ceramicas de zirconia 4% mol de itria

    Energy Technology Data Exchange (ETDEWEB)

    Grilo, J.P.F.; Neto, P.P.B.; Souza, G.L.; Macedo, D.A.; Paskocimas, C.A.; Nascimento, R.M., E-mail: grilo.jpf@gmail.com [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil)

    2011-07-01

    In attempt to reduce the sintering temperature of yttria stabilized zirconia (4% mol, 4YSZ), Co{sub 3}O{sub 4} powders obtained by polymeric precursor method were used as sintering aids. Commercial 4YSZ powder and Co{sub 3}O{sub 4} calcined at 800 deg C for 2 h were characterized by XRD and SEM. Sintering behaviour of ceramics as a function of Co{sub 3}O{sub 4} content (between 0.5 and 4 wt.%) was investigated by dilatometry. Based on dilatometric analysis, ceramics were sintered between 1200 and 1400 deg C for 2 h in air and then characterized using different techniques. XRD results exhibit the attainment of monophasic Co{sub 3}O{sub 4} and the most part of tetragonal zirconia in the sintered ceramics. (author)

  1. W2X and W3X-L: Cost-Effective Approximations to W2 and W4 with kJ mol(-1) Accuracy.

    Science.gov (United States)

    Chan, Bun; Radom, Leo

    2015-05-12

    We have formulated the W2X and W3X-L protocols as cost-effective alternatives to W2 and W3/W4, respectively, and to supplement our previously developed set of W1X and W3X procedures. The W2X procedure provides an accurate approximation to the all-electron scalar-relativistic CCSD(T)/CBS energy, with a mean absolute deviation (MAD) of 0.6 kJ mol(-1) from benchmark energies provided by the CCSD(T) component in the W4 protocol. Such a performance is comparable to that of W2w (0.5 kJ mol(-1)) but comes at a significantly lower cost. Comparison of computational requirements shows that W2X should be applicable to systems that can be treated by the W1w method. Thus, W2X provides an accurate means for the treatment of medium-sized systems such as naphthalene. For the calculation of post-CCSD(T) effects, we propose a slight modification to the method used in our previously devised W3X procedure. Our new W3-type protocol (W3X-L) combines this new post-CCSD(T) treatment with our new W2X procedure. It has an MAD from benchmark values of 0.8 kJ mol(-1) for the W4-11 set, which is comparable to that for the computationally more demanding W3.2 method (0.6 kJ mol(-1)). However, the use of the even relatively modest post-CCSD(T) calculations in W3X-L still represents a computational bottleneck, and this currently restricts its application to systems up to the size of benzene with our current computing resources.

  2. Occurrence of greenhouse gases (CO2, N2O and CH4) in groundwater of the Walloon Region (Belgium).

    Science.gov (United States)

    Jurado, Anna; Borges, Alberto V.; Pujades, Estanislao; Hakoun, Vivien; Knöller, Kay; Brouyère, Serge

    2017-04-01

    Greenhouse gases (GHGs) are an environmental problem because their concentrations in the atmosphere have continuously risen since the industrial revolution. They can be indirectly transferred to the atmosphere through groundwater discharge into surface water bodies such as rivers. However, their occurrence is poorly evaluated in groundwater. The aim of this work is to identify the hydrogeological contexts (e.g., chalk and limestone aquifers) and the most conductive conditions for the generation of GHGs in groundwater at a regional scale. To this end, carbon dioxide (CO2), methane (CH4) and nitrous oxide (N2O) concentrations, major and minor elements and environmental isotopes were monitored in several groundwater bodies of the Walloon Region (Belgium) from September 2014 to June 2016. The concentrations of GHGs in groundwater ranged from 1769 to 100519 ppm for the partial pressure of CO2 and from 0 to 1064 nmol/L and 1 to 37062 nmol/L for CH4 and N2O respectively. Overall, groundwater was supersaturated in GHGs with respect to atmospheric equilibrium, suggesting that groundwater contribute to the atmospheric GHGs budget. Prior inspection of the data suggested that N2O in groundwater can be produced by denitrification and nitrification. The most suitable conditions for the accumulation of N2O are promoted by intermediate dissolved oxygen concentrations (2.5-3 mg L-1) and the availability of nitrate (NO3-). These observations will be compared with the isotopes of NO3-. CH4 was less detected and at lower concentration than N2O, suggesting that groundwater redox conditions are not reducing enough to promoted the production of CH4. The results will be presented and discussed in detail in the presentation.

  3. Capteur de CO{2} à fibres optiques par absorption moléculaire à 4,3 μm

    Science.gov (United States)

    Bendamardji, S.; Alayli, Y.; Huard, S.

    1996-04-01

    This paper describes a remote optical fibre sensor for the carbon dioxide detection by molecular absorption in the near infrared (4.3 μm) corresponding to fundamental mode ν3. To overcome the problem of the strong attenuation signal of optical fibre in the near infrared, we have used the opto-suppling technique which changes the working wavelength from 4.3 μm to 860 nm and permits the use of standard optical fibre 50/125. The simulation of absorption has been obtained by original modelisation of the absorption spectrum and the establishment of the calibration curves takes to the sensor to detect a partial pressures greater than 100 μbar with a minimal error margin of 100 μbar, which is acceptable considering the future use of the device. The sensor has been designed to monitor the CO{2} rate in enriched greenhouses. Cet article décrit un capteur à fibres optiques de gaz carbonique par absorption moléculaire dans l'infrarouge moyen (4,3 μm) correspondant au mode fondamental ν3. La liaison entre le site de mesure et le site de contrôle est assurée par un fibre optique standard 50/125 après une transposition de longueur d'onde de 4,3 μm à 860 nm par opto-alimentation. La simulation de l'absorption a été obtenue par modélisation originale du spectre d'absorption et l'établissement des courbes d'étalonnage prévoit une marge d'erreur minimale de 100 μbar, ce qui est suffisant pour l'application du dispositif à la régulation de taux CO{2} dans les serres agricoles enrichies par de gaz.

  4. Enteroaggregative Shiga toxin-producing Escherichia coli of serotype O104:H4 in Belgium and Luxembourg

    Directory of Open Access Journals (Sweden)

    K. De Rauw

    2014-09-01

    Full Text Available In 2011, a large outbreak of infections caused by Shiga toxin-producing Escherichia coli (STEC O104:H4 occurred in Germany. This exceptionally virulent strain combined virulence factors of enteroaggregative E. coli (EAggEC and STEC. After the outbreak only a few sporadic cases of infection with this rare serotype were reported, most of which were related to travel to the Middle East or North Africa. Here we describe two cases of enteroaggregative STEC (Agg-STEC O104:H4 infection that occurred in Belgium in 2012 and 2013 respectively. In both cases travel in a Mediterranean country preceded the infection. The first strain was isolated from the stool of a 42-year-old woman presenting bloody diarrhoea, who had travelled to Tunisia the week before. The second case involves a 14-year-old girl who, upon her return from Turkey to Belgium, suffered from an episode of bloody diarrhoea and haemolytic uraemic syndrome. Extended typing of the isolates with pulsed field gel electrophoresis revealed that the strains were closely related, though not exactly the same as the 2011 outbreak strain. This report supports the previously made hypothesis that Agg-STEC has a human reservoir and might be imported by travellers coming from an area where the pathogen is endemic. Furthermore, it emphasizes the concern that these bacteria may cause future outbreaks as evenly virulent O104:H4 isolates seem to be widespread.

  5. Estudo do comportamento eletroquímico de azóis para o aço inoxidável AISI 430 em H2SO4 1 mol L-1 Study of electrochemical behavior of azoles for AISI 430 stainless steel in H2SO4 1 mol L-1

    Directory of Open Access Journals (Sweden)

    Martha Tussolini

    2010-03-01

    Full Text Available A corrosão é um processo indesejável que ocorre em materiais metálicos. Nesse trabalho, estudou-se o efeito inibidor do benzotriazol (BTAH, benzimidazol (BZM e indol em diferentes concentrações para o aço inoxidável AISI 430 em H2SO4 1 mol L-1. Foram empregadas as técnicas de: polarização potenciostática anódica, espectroscopia de impedância eletroquímica, microscopia óptica e eletrônica de varredura. As curvas de polarização potenciostática anódica mostraram que o BTAH, BZM e Indol atuam como inibidores de corrosão para o aço AISI 430, nas concentrações de 1x10-3 e 5x10-4 mol L-1, não apresentando inibição significativa para as concentrações iguais ou inferiores a 1x10-4 mol L-1. O aumento da eficiência inibidora em relação às substâncias estudadas seguiu a seguinte ordem: Indol Corrosion is an undesirable process that occurs in metallic materials. Studied was the effect of inhibiting Benzotriazole (BTAH, Benzimidazole (BZM and Indole in different concentrations for the stainless steel (SS AISI 430 in H2SO4 1 mol L-1. The techniques employed this research were: anodic potenciostatic polarisation, electrochemical impedance spectroscopy, optical microscopy and scanning electron microscopy. The curves of anodic polarisation showed that BTAH, BZM and Indol act as corrosion inhibitors for 430 SS, at concentrations of 1x10-3 and 5x10-4 mol L-1, but do not inhibit corrosion for concentrations equal to or less than 1x10-4 mol L-1. The in-crease of the efficiency in relation to the inhibitory substances studied followed this order: Indol

  6. Study of Li{sub 2}TiO{sub 3} + 5 mol% TiO{sub 2} lithium ceramics after long-term neutron irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Chikhray, Y. [Kazakh National University, Almaty (Kazakhstan)], E-mail: john@physics.kz; Shestakov, V. [Kazakh National University, Almaty (Kazakhstan); Maksimkin, O.; Turubarova, L.; Osipov, I. [Institute of Nuclear Physics, Almaty (Kazakhstan); Kulsartov, T.; Kuykabayeba, A.; Tazhibayeva, I. [National Nuclear Center, Kurchatov (Kazakhstan); Kawamura, H.; Tsuchiya, K. [JAEA, Oarai (Japan)

    2009-04-30

    Given work presents the results of complex material-science studies of 1 mm diameter ceramic pebbles manufactured of Li{sub 2}TiO{sub 3} + 5 mol% TiO{sub 2} ceramics before and after long-time neutron irradiation. Ceramic samples were placed in specially ampoules (six items) made of stainless steel Cr18Ni10Ti which were vacuumized and filled with helium. Irradiation of ampoules was carried out in the loop channel of WWRK reactor (Almaty, Kazakhstan) during 223 days at 6 MW power. After irradiation light-colored pebbles became grey-colored due to structure changes which generation of grey-colored inclusions (lithium oxide) with low density and microhardness. There is a radiation softening of lithium ceramic and that effect is higher for lower irradiation temperature 760 K than for 920 K. The value of maximum permissible load (pebble crash limit) at that is low and comprises {approx}37.9 N. The content of residual tritium is higher for ceramic irradiated at 760 K (6.6 {+-} 0.6 x 10{sup 11} Bq/kg) than for ceramic irradiated at 920 K (17 {+-} 3 x 10{sup 10} Bq/kg). The size change indicates that pebble increase more after irradiation at 760 K than at 920 K where the bigger portion of tritium leaves the pebble. X-ray analysis shows radiation modification of Li{sub 2}TiO{sub 3} + 5 mol% TiO{sub 2} phase composition and generation of new phases: LiTi{sub 2}O{sub 4}, LiTiO{sub 2} and Li{sub 4}Ti{sub 5}O{sub 12}.

  7. Study of Li 2TiO 3 + 5 mol% TiO 2 lithium ceramics after long-term neutron irradiation

    Science.gov (United States)

    Chikhray, Y.; Shestakov, V.; Maksimkin, O.; Turubarova, L.; Osipov, I.; Kulsartov, T.; Kuykabayeba, A.; Tazhibayeva, I.; Kawamura, H.; Tsuchiya, K.

    2009-04-01

    Given work presents the results of complex material-science studies of 1 mm diameter ceramic pebbles manufactured of Li 2TiO 3 + 5 mol% TiO 2 ceramics before and after long-time neutron irradiation. Ceramic samples were placed in specially ampoules (six items) made of stainless steel Cr18Ni10Ti which were vacuumized and filled with helium. Irradiation of ampoules was carried out in the loop channel of WWRK reactor (Almaty, Kazakhstan) during 223 days at 6 MW power. After irradiation light-colored pebbles became grey-colored due to structure changes which generation of grey-colored inclusions (lithium oxide) with low density and microhardness. There is a radiation softening of lithium ceramic and that effect is higher for lower irradiation temperature 760 K than for 920 K. The value of maximum permissible load (pebble crash limit) at that is low and comprises ˜37.9 N. The content of residual tritium is higher for ceramic irradiated at 760 K (6.6 ± 0.6 × 10 11 Bq/kg) than for ceramic irradiated at 920 K (17 ± 3 × 10 10 Bq/kg). The size change indicates that pebble increase more after irradiation at 760 K than at 920 K where the bigger portion of tritium leaves the pebble. X-ray analysis shows radiation modification of Li 2TiO 3 + 5 mol% TiO 2 phase composition and generation of new phases: LiTi 2O 4, LiTiO 2 and Li 4Ti 5O 12.

  8. Thermochemical reactivity of 5–15 mol% Fe, Co, Ni, Mn-doped cerium oxides in two-step water-splitting cycle for solar hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Gokon, Nobuyuki, E-mail: ngokon@eng.niigata-u.ac.jp [Center for Transdisciplinary Research, Niigata University, 8050 Ikarashi 2-nocho, Nishi-ku, Niigata 950-2181 (Japan); Suda, Toshinori [Graduate School of Science and Technology, Niigata University, 8050 Ikarashi 2-nocho, Niigata 950-2181 (Japan); Kodama, Tatsuya [Department of Chemistry & Chemical Engineering, Faculty of Engineering, Niigata University, 8050 Ikarashi 2-nocho, Niigata 950-2181 (Japan)

    2015-10-10

    Highlights: • 5–15 mol% M-doped ceria are examined for thermochemical two-step water-splitting. • 5 mol% Fe- and Co-doped ceria have stoichiometric production of oxygen and hydrogen. • 10–15 mol% Fe- and Mn-doped ceria showed near-stoichiometric production. - Abstract: The thermochemical two-step water-splitting cycle using transition element-doped cerium oxide (M–CeO{sub 2−δ}; M = Fe, Co, Ni, Mn) powders was studied for hydrogen production from water. The oxygen/hydrogen productivity and repeatability of M–CeO{sub 2−δ} materials with M doping contents in the 5–15 mol% range were examined using a thermal reduction (TR) temperature of 1500 °C and water decomposition (WD) temperatures in the 800–1150 °C range. The temperature, steam partial pressure, and steam flow rate in the WD step had an impact on the hydrogen productivity and production rate. 5 mol% Fe- and Co-doped CeO{sub 2−δ} enhances hydrogen productivity by up to 25% on average compared to undoped CeO{sub 2}, and shows stable repeatability of stoichiometric oxygen and hydrogen production for the cyclic thermochemical two-step water-splitting reaction. In addition, 5 mol% Mn-doped CeO{sub 2−δ}, 10 and 15 mol% Fe- and Mn-doped CeO{sub 2−δ} show near stoichiometric reactivities.

  9. Evaluation of MolYsis™ Complete5 DNA extraction method for detecting Staphylococcus aureus DNA from whole blood in a sepsis model using PCR/pyrosequencing.

    Science.gov (United States)

    McCann, Chase D; Jordan, Jeanne A

    2014-04-01

    Bacterial bloodstream infections (BSI) and ensuing sepsis are important causes of morbidity and mortality. Early diagnosis and rapid treatment with appropriate antibiotics are vital for improving outcome. Nucleic acid amplification of bacteria directly from whole blood has the potential of providing a faster means of diagnosing BSI than automated blood culture. However, effective DNA extraction of commonly low levels of bacterial target from whole blood is critical for this approach to be successful. This study compared the Molzyme MolYsis™ Complete5 DNA extraction method to a previously described organic bead-based method for use with whole blood. A well-characterized Staphylococcus aureus-induced pneumonia model of sepsis in canines was used to provide clinically relevant whole blood samples. DNA extracts were assessed for purity and concentration and analyzed for bacterial rRNA gene targets using PCR and sequence-based identification. Both extraction methods yielded relatively pure DNA with median A260/280 absorbance ratios of 1.71 (MolYsis™) and 1.97 (bead-based). The organic bead-based extraction method yielded significantly higher average DNA concentrations (PDNA concentrations of the MolYsis™ extracts closely mirrored quantitative blood culture results. Overall, S. aureus DNA was detected from whole blood samples in 70.7% (58/82) of MolYsis™ DNA extracts, and in 59.8% (49/82) of organic bead-based extracts, with peak detection rates seen at 48h for both MolYsis™ (87.0%) and organic bead-based (82.6%) methods. In summary, the MolYsis™ Complete5 DNA extraction kit proved to be the more effective method for isolating bacterial DNA directly from extracts made from whole blood. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Complexation of mercury(II) with 1-Phenyl-2,3-dimethylpyrazoline-5-thione in 0.1 mol/L HNO3 at 273-338 K

    Science.gov (United States)

    Beknazarova, N. S.; Shoalifov, Dzh. O.; Amindzhanov, A. A.; Safarmamadov, S. M.

    2016-12-01

    The complexation of mercury(II) with 1-phenyl-2,3-dimethylpyrazoline-5-thione is studied by means of potentiometry in 0.1 mol/L HNO3 at 273-338 K. The composition of the complexes is determined and their stepwise stability constants are calculated. A pattern is found in altering the stepwise stability constants as the temperature and number of attached 1-phenyl-2,3-dimethylpyrazoline-5-thione molecules rise.

  11. Buffer Standards for pH Measurement of N-(2-Hydroxyethyl)piperazine-N'-2-ethanesulfonic Acid (HEPES) for I = 0.16 mol.kg from 5 to 55 degrees C.

    Science.gov (United States)

    Roy, Rabindra N; Roy, Lakshmi N; Ashkenazi, Shahaf; Wollen, Joshua T; Dunseth, Craig D; Fuge, Michael S; Durden, Jared L; Roy, Chandra N; Hughes, Hannah M; Morris, Brett T; Cline, Kevin L

    2009-04-01

    The values of the second dissociation constant, pK(2) of N-(2-hydroxyethyl) piperazine-N'-2-ethanesulfonic acid (HEPES) have been reported at 12 temperatures over the temperature range 5 to 55 degrees C, including 37 degrees C. This paper reports the results for the pa(H) of eight isotonic saline buffer solutions with an I = 0.16 mol*kg(-1) including compositions: (a) HEPES (0.01 mol*kg(-1)) + NaHEPES (0.01 mol*kg(-1)) + NaCl (0.15 mol*kg(-1)); (b) HEPES (0.02 mol*kg(-1)) + NaHEPES (0.02 mol*kg(-1)) + NaCl (0.14 mol*kg(-1)); (c) HEPES (0.03 mol*kg(-1)) + NaHEPES (0.03 mol*kg(-1)) + NaCl (0.13 mol*kg(-1)); (d) HEPES (0.04 mol*kg(-1)) + NaHEPES (0.04 mol*kg(-1)) + NaCl (0.12 mol*kg(-1)); (e) HEPES (0.05 mol*kg(-1)) + NaHEPES (0.05 mol*kg(-1)) + NaCl (0.11 mol*kg(-1)); (f) HEPES (0.06 mol*kg(-1)) + NaHEPES (0.06 mol*kg(-1)) + NaCl (0.10 mol*kg(-1)); (g) HEPES (0.07 mol*kg(-1)) + NaHEPES (0.07 mol*kg(-1)) + NaCl (0.09 mol*kg(-1)); and (h) HEPES (0.08 mol*kg(-1)) + NaHEPES (0.08 mol*kg(-1)) + NaCl (0.08 mol*kg(-1)). Conventional pa(H) values, for all eight buffer solutions from 5 to 55 degrees C have been calculated. The operational pH values with liquid junction corrections, at 25 and 37 degrees C have been determined based on the NBS/NIST standard between the physiological phosphate standard and four buffer solutions. These are recommended as pH standards for physiological fluids in the range of pH 7.3 to 7.5 at I = 0.16 mol*kg(-1).

  12. Community transmission of influenza A (H1N1)v virus at a rock festival in Belgium, 2-5 July 2009.

    Science.gov (United States)

    Gutiérrez, I; Litzroth, A; Hammadi, S; Van Oyen, H; Gerard, C; Robesyn, E; Bots, J; Faidherbe, M T; Wuillaume, F

    2009-08-06

    On 6 July 2009 the Belgian enhanced surveillance system for influenza-like illness among travellers returning from influenza A(H1N1)v affected areas detected a case linked to a rock festival which took place on 2-5 July. The health authorities implemented communication and control measures leading to the detection of additional cases. This paper describes the outbreak and its impact on the management of the influenza pandemic in Belgium.

  13. The measurement of international migration in Belgium.

    Science.gov (United States)

    Poulain, M

    1987-01-01

    This article examines legislation affecting international migration in Belgium from the perspective of 2 questions: 1) What types of migrants are definable by legislation? and 2) What kinds of documents may be utilized to compile statistics on international migration? The following are some of the article's main points. 1) Since January 1, 1847 each communal administration in Belgium has maintained a national population register that details births, deaths, marriages and household structures, and all movements within 1 commune, from 1 commune to another, and movements between states. 2) When a Belgian citizen leaves for a foreign destination with the intention of settling there, his name is struck from the registers. 3) To enter Belgian territory, the alien must possess the documents required under bilateral agreements between Belgium and each of the states concerned. Generally, the alien must obtain a visa to his passport from 1 of the diplomatic or consular offices of Benelux before entering Belgium. The alien must have sufficient means of subsistence to avoid being considered in need. He must not be listed as an undesirable alien in Belgium, he must not have been convicted of a crime, and he must not constitute a danger to public order or national security, The alien also should not have been expelled from Belgium less than 10 years earlier. 4) Absence from Belgium and the right to return is granted to aliens holding a valid certificate of enrollment or a settlement card. 5) Any individual who has reason to fear persecution can obtain refugee status; his stay is protected until his application is declared to be unfounded by the High Commission. 6) The National Statistical Institute issues various types of data from which international population movements can be identified. The 2 main sources of these statistics are the population censuses held every 10 years and the annual demographic statistics. 7) In 1967, the Belgian Council of Ministers authorized the

  14. Kinetics study on the dissolution of UO2 particles by microwave and conventional heating in 4 mol/L nitric acid

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The dissolution of UO2 particles in 4 mol·L-1 nitric acid medium at temperatures of 90-110℃ by mi- crowave heating and conventional heating has been investigated, respectively. It is found that the dissolution ratios of UO2 particles by microwave heating were 10%-40% higher than that by conven- tional heating. Kinetics research shows that the dissolution of UO2 particles in 4 mol·L-1 nitric acid is controlled by the diffusion control model for microwave heating and by the surface reaction control model for conventional heating. The diffusion control model for the dissolution of UO2 particles by mi- crowave heating could be explained by the diffuseness on the surface of UO2 particles.

  15. Effect of copper ions implantation on the corrosion behavior of ZIRLO alloy in 1 mol/L H2SO4

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    In order to study the effect of copper ion implantation on the aqueous corrosion behavior of ZIRLO alloy, specimens were implanted with copper ions with fluences ranging from l×l016 to 1×1017 ions/cm2, using a metal vapor vacuum arc source (MEVVA) at an extraction voltage of 40 kV.The valence states and depth distributions of elements in the surface layer of the samples were analyzed by X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES), respectively.Glancing angle X-ray diffraction(GAXRD) was employed to examine the phase transformation due to the copper ion implantation.The potentiodynamic polarization technique was used to evaluate the aqueous corrosion resistance of implanted ZIRLO alloy in a l mol/L H2SO4 solution.It was found that a significant improvement was achieved in the aqueous corrosion resistance of ZIRLO alloy implanted with copper ions when the fluence is 5×1016 ions/cm2.When the fluence is l×l016 or l×l017 ions/cm2, the corrosion resistance of implanted samples was bad..Finally, the mechanism of the corrosion behavior of copper-implanted ZIRLO alloy was discussed.

  16. Corporate tax savings when hiring a Big 4 auditor: Empirical evidence for Belgium.

    OpenAIRE

    Janssen, Jos Boudewijn; Hylke VANDENBUSSCHE; Crabbé, Karen

    2005-01-01

    In this paper we show that hiring a Big 4 auditor results in substantial corporate income tax savings, compared to hiring a non-Big 4 auditor. Our results are obtained from an empirical model that controls for other factors that may affect companies’ income tax burdens. We use a population of larger Belgian firms between 1993 and 2002. The findings suggest that Big 4 audited firms provide (explicitly or implicitly) additional tax expertise which is transferred to their clients and lowers thei...

  17. Preparation of 15 mol% YO 1.5-doped ThO 2 disk electrolytes by a polymeric gel-combustion method

    Science.gov (United States)

    Arul Antony, S.; Nagaraja, K. S.; Sreedharan, O. M.

    2001-06-01

    A hybrid of polymeric gel and auto-combustion techniques was adapted for the synthesis and lower temperature sintering of 15 mol% YO 1.5-doped thoria (15 YDT) homogeneous solid solutions at 1350°C. The YDT discs so prepared were of density better than 99% theoretical and the cubic cell parameter was ao=558.15(±0.13) pm in close agreement with 557.8 pm recently reported as high quality data in JCPDS confirming the validity of the anion vacancy model for Th 0.85Y 0.15O 1.925.

  18. Gold Rush in Mol at the 15th ASCERI Atomiade

    CERN Multimedia

    Chris Haen, Konrad Jende & Rachel Bray, Atomiade organizers and athletes for the CERN team

    2015-01-01

    What initially began as a football tournament between German institutes involved in nuclear research has developed into ASCERI (Association of the Sports Communities of the European Research Institutes), which aims to contribute to a united Europe through regular sport meetings, bringing together members of public research institutes at the European level. The members come from over 40 research institutes (see here) spanning 16 countries.     CERN team going for Gold at the summer Atomiade!   One of the main sport events organised by ASCERI, the 15th Atomiade was held from 5 to 8 June 2015 (organisational committee JRC Geel) in Mol, in the Kempen region of Belgium. CERN participated by sending 40 athletes from 15 countries to compete in a variety of disciplines: Athletics, Basketball, Cycling, Mountain Bike Race, Canoeing/Kayak, S.U.P., Swimming, Table Tennis, Tennis, Triathlon, Volleyball. The 1200 athletes from 36 European research institutes were housed in th...

  19. Self-healing effect of ceria electrodeposited thin films on stainless steel in aggressive 0.5 mol/L NaCl aqueous solution

    Institute of Scientific and Technical Information of China (English)

    Desislava Guergova; Emilia Stoyanova; Dimitar Stoychev; Ivalina Avramova; Plamen Stefanov

    2015-01-01

    The self-healing effect of electrochemically deposited CeO2-Ce2O3 films on stainless steel OC404 (SS) in 0.5 mol/L NaCl solution was studied. It was established that the corrosion potential of the steel, after covering it with CeO2-Ce2O3 layer and thermal treatment (i.e. potential of the system CeO2-Ce2O3/SSt.t.), was shifted sharply to a considerably more positive value, while the corro-sion current was reduced noticeably. The X-ray photoelectron spectroscopy (XPS), energy dispersive spectroscopy (EDS) and scan-ning electron microscopy (SEM) analyses on the observed scratched surface area of the system CeO2-Ce2O3/SSt.t., after exposure of investigated specimens to 0.5 mol/L NaCl corrosion media, showed partial accumulation of ceria, as well as remarkable increase in the concentrations of oxides of Al, Cr and Fe, on the mechanically revealed steel surface. On the basis of the obtained results one could conclude that the secondary passive oxide/hydroxide films, formed after a definite time interval of exposure to corrosion media, acted as barriers, hindering the corrosion processes in active zones. A hypothesis was put forward about the mechanism of self-repairing oxide layers on the steel surface and their corrosion protection effect respectively.

  20. High Resolution Crossed Molecular Beams Study on the F+HD→HF+D Reaction at Collision Energy of 5.43-18.73 kJ/mol

    Institute of Scientific and Technical Information of China (English)

    Wen-rui Dong; Chun-lei Xiao; Tao Wang; Dong-xu Dai; Xiu-yan Wang; Xue-ming Yang

    2011-01-01

    The dynamics of F+HD→HF+D reaction has been studied at ten collision energies ranging from 5.43 kJ/mol to 18.73 kJ/mol using high-resolution H/D atom Rydberg tagging time-of-flight method.Product vibrational and rotational state-resolved differential cross sections have been determined.The intensity of the HF(v'=2) forward products decreases as the collision energy increases,suggesting that the resonance contribution is reduced as the collision energy increases.The forward peak of HF(v'=3) product has also been observed above the threshold of this product channel.Product energy disposals in different degrees of freedom have been analyzed.The collision energy dependence of the HF vibrational product branching was also determined.This work presents a comprehensive dynamic picture of this resonance mediated reaction in a wide collision energy regime,providing a good test ground for theoretical understandings of this interesting reaction at higher collision energies.

  1. 以EdU体外标记人脐带间充质干细胞:5,10μmol/L是其最适浓度

    Institute of Scientific and Technical Information of China (English)

    王武; 张飞; 李贵才; 齐宝军; 武忠炎; 曹鹏

    2015-01-01

    背景:EdU为新一代细胞核标记物,目前对此标记的研究较少。目的:采取EdU标记人脐带间充质干细胞,筛选出EdU标记人脐带间充质干细胞的最适浓度。方法:采用组织块法分离、纯化及传代培养人脐带间充质干细胞,倒置显微镜观察其形态及生长情况,流式细胞仪鉴定细胞表面标志物,并进行成脂诱导分化能力鉴定。分别采用5,10,20,50,100μmol/L浓度的EdU标记脐带间充质干细胞24 h,选择标记率最高的优化浓度,绘制细胞增殖曲线。结果与结论:倒置显微镜下观察细胞为贴壁生长,形态为长梭形,且EdU标记后的细胞形态与其一致,流式细胞仪检测CD44呈阳性表达,成脂诱导后具有向脂肪细胞分化的能力。5,10μmol/L EdU的标记率最高,两种浓度标记的人脐带间充质干细胞生长曲线未见明显差异,故5,10μmol/L是体外标记人脐带间充质干细胞的最适浓度。

  2. Capteur de CO2 à fibres optiques par absorption moléculaire à 4,3 μm

    OpenAIRE

    Bendamardji, S.; Alayli, Y; Huard, S.

    1996-01-01

    Cet article décrit un capteur à fibres optiques de gaz carbonique par absorption moléculaire dans l'infrarouge moyen (4,3 μm) correspondant au mode fondamental ν3. La liaison entre le site de mesure et le site de contrôle est assurée par un fibre optique standard 50/125 après une transposition de longueur d'onde de 4,3 μm à 860 nm par opto-alimentation. La simulation de l'absorption a été obtenue par modélisation originale du spectre d'absorption et l'établissement des courbes d'étalonnage pr...

  3. Synthesis and characterization of BaTi{sub 1-x}Sn{sub x}O{sub 3}-0.5 mol%GeO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Bucur, Raul Alin, E-mail: raul_alin_bucur@yahoo.com [National Institute for Research and Development in Electrochemistry and Condensed Matter (NIRDECM) Timisoara, Condensed Matter Dept, No 1 Plautius Andronescu Street, 300224 Timisoara (Romania); West University of Timisoara, Department of Physics, No 4 V. Parvan Blvd, Timisoara 300223 (Romania); Bucur, Alexandra Ioana; Novaconi, Stefan [National Institute for Research and Development in Electrochemistry and Condensed Matter (NIRDECM) Timisoara, Condensed Matter Dept, No 1 Plautius Andronescu Street, 300224 Timisoara (Romania); Nicoara, Irina [West University of Timisoara, Department of Physics, No 4 V. Parvan Blvd, Timisoara 300223 (Romania)

    2012-10-25

    Highlights: Black-Right-Pointing-Pointer BaTi{sub 1-x}Sn{sub x}O{sub 3}-0.5 mol%GeO{sub 2} (x = 0, 0.1, 0.3, 0.5) ceramics were prepared at 1190 Degree-Sign C. Black-Right-Pointing-Pointer GeO{sub 2} improves crystallization and densification. Black-Right-Pointing-Pointer Anomalies are noted for the rhombohedral-orthorhombic transition of BT-0.5Ge. Black-Right-Pointing-Pointer For x = 0.3 and 0.5, {epsilon} Prime {sub r} exhibit nearly constant variation between 200 and 400 K. - Abstract: Microcrystalline BaTi{sub 1-x}Sn{sub x}O{sub 3}-0.5 mol%GeO{sub 2}x = 0, 0.1, 0.3, 0.5 (BTSx-0.5Ge) and BaTiO{sub 3} (BT) ceramics (1-0.5 {mu}m) were prepared by a conventional solid-state reaction method. The crystalline structure of the samples was examined using XRD, the microstructure was analyzed by means of electron microscope and the density was measured by the Archimede's method. The sintered ceramic disks have a tetragonal symmetry for BT, pseudo cubic for BTS1-0.5Ge and cubic symmetry for the other studied materials, with a gradual increase of unit cell dimensions. Small addition of GeO{sub 2} can improve the density of BT ceramics: 97.9% for BT-0.5Ge, and 96.21% for pure BT. The highest degree of densification in the case of tin doping is achieved for BTS1-0.5Ge (96.93%). The formation of a liquid phase can lead to an anomalous grain growth, and in the case of BT-0.5Ge the grains are completely surrounded by a frozen eutectic melt. For the dielectric constant, while increasing the Sn concentration, the T{sub C} gradually shifts towards lower temperatures, and the peak of this transition becomes broader. The lowering of T{sub C} is mostly due to the concentration of tin ions and in a much delicate way to Ge ions. Anomalies are noticed for the orthorhombic transition, where the permittivity is higher than the same transition of the matrix (BT), with a shift towards higher temperatures. The BTS3-0.5Ge and BTS5-0.5Ge are the most stable compositions in terms of

  4. U/Th dating and pollen analysis of a stalagmitic sequence of the isotopic stage 5 (''Galerie des Vervietois, Grotte de Han'' Belgium). Datation uranium/thorium et analyse pollinique d'une sequence stalagmitique du stade isotopique 5 (Galerie des Vervietois, Grotte de Han-sur-Lesse, Belgique)

    Energy Technology Data Exchange (ETDEWEB)

    Quinif, Y. (Faculte Polytechnique de Mons (Belgium)); Bastin, B. (Louvain Univ., Louvain-la-Neuve (Belgium). Unite de Physique Nucleaire)

    1994-01-01

    The stalagmitic body of the 'Galerie des Vervietois' ('Grotte de Han', Belgium) has been sampled by numerous drillings. We present here two series studied by lithostratigraphy, palynology and absolute dating by the uranium series disequilibrium. These series allow one to date and reconstitute the palaeoclimatic sequence from isotopic substage 5.5 to isotopic substage 5.3, emphasizing the climatic deterioration of the isotopic substage 5.4 (Melisey I in the 'Grande Pile' sequence). (authors).

  5. SU(5) & A4

    CERN Document Server

    Urbano, Alfredo

    2009-01-01

    The introduction of a Flavour Symmetry can represent an interesting way in which one can try to find an answer to some intriguing problems in Flavour Physics, like the hierarchy between the fermion masses or the particular values of mixing angles. In the meantime the necessity to set this symmetry in a realistic context grows up; this context should be able to enlarge our incomplete knowledge of fundamental interactions as described in the framework of the Standard Model. Following this direction a merging between A(4) and SU(5) can be possible.

  6. 3,5-Bis(4-dodecylthiophen-2-yl-4H-1,2,6-thiadiazin-4-one

    Directory of Open Access Journals (Sweden)

    Panayiotis A. Koutentis

    2012-11-01

    Full Text Available 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one 1 reacts with (4-dodecylthiophen-2-yltrimethylstannane 4 (2.2 equiv. and Pd(Ph3P2Cl2 (5 mol% in acetonitrile at ca. 82 °C to give 3,5-bis(4-dodecylthiophen-2-yl-4H-1,2,6-thiadiazin-4-one 5 in 93% yield.

  7. (1R,4R,6S,7R)-5,5-Di-bromo-1,4,8,8-tetra-methyl-tri-cyclo-[5.4.1.0(4,6)]dodecan-12-one.

    Science.gov (United States)

    Zaki, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha

    2014-05-01

    The title compound, C16H24Br2O, was synthesized from the reaction of β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from Atlas cedar (Cedrus atlantica). The asymmetric unit contains two independent mol-ecules with similar conformations. Each mol-ecule is built up from two fused seven-membered rings and an additional three-membered ring. In both mol-ecules, one of the seven-membered rings has a chair conformation, whereas the other displays a screw-boat conformation.

  8. Product rotational angular momentum polarization of H+FCl (v=0-5; j=0, 3, 6, 9) → HF+Cl and HCl+F at Erel=0.5-20 kcal mol(-1).

    Science.gov (United States)

    Chao Wu, Victor Wei-Keh

    2015-12-01

    The rotational angular momentum polarizations of product molecules of the title reactions on the ground potential energy surface 1 (2)A' of DHTSN [Deskevic et al. J Chem Phys 2006, 124, 224303] have been studied using the quasi-classical trajectory method. Reaction dynamic results of the HF product channel comparing with another channel of HCl with 100,000 trajectories can be accurately resolved. We show the value of the polar p(ϑr) in the range of 0° ≤ ϑr ≤ 180(°), azimuthal p(φr) in the range of 0° ≤ φr ≤ 360(°), and dihedral p(ϑr, φr) in the ranges of 0(°) ≤ ϑr ≤ 180(°) and 0(°) ≤ φr ≤ 360(°); the angular distributions of the product molecules HF and HCl at relative Erel = 0.5, 1, 2, 5, 10, 15, and 20 kcal mol(-1); and four polarization-dependent differential cross sections (PDDCSs) of HF and HCl at Erel = 0.5, 1, 2, 5, 10, and 15 kcal mol(-1). p(φr) distributions at v = 0-5, and j = 0, 3, 6, 9 at every Erel are plotted cylindrically together. The stereo dynamic transformation reaction dependent upon the rovibrational states of the reactant molecule FCl and its relative translational energies around 0.5-5 kcal mol(-1) can be significantly differentiated. Translational and rovibrational enhancements of the title reactions on both early barrier potential energy surfaces have been shown in great detail and clarified. Reaction mechanisms of forward and backward scattering of the product molecules HF and HCl, respectively, have been obtained. Graphical Abstract H + FCl → either HF + Cl (left) or HCl + F (right) is moving along a trajectory on the respective PES.

  9. Channels with ordered water and bipyridine mol-ecules in the porous coordination polymer {[Cu(SiF6)(C10H8N2)2]·2C10N2H8·5H2O} n.

    Science.gov (United States)

    Aubert, Emmanuel; Doudouh, Abdelatif; Peluso, Paola; Mamane, Victor

    2016-11-01

    The coordination polymer {[Cu(SiF6)(C10H8N2)2]·2C10H8N2·5H2O} n , systematic name: poly[[bis-(μ2-4,4'-bi-pyridine)(μ2-hexa-fluorido-silicato)copper(II)] 4,4'-bi-pyridine disolvate penta-hydrate], contains pores which are filled with water and 4,4'-bi-pyridine mol-ecules. As a result of the presence of these ordered species, the framework changes its symmetry from P4/mmm to P21/c. The 4,4'-bi-pyridine guest mol-ecules form chains inside the 6.5 × 6.9 Å pores parallel to [100] in which the mol-ecules inter-act through π-π stacking. Ordered water mol-ecules form infinite hydrogen-bonded chains inside a second pore system (1.6 × 5.3 Å free aperture) perpendicular to the 4,4'-bi-pyridine channels.

  10. VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface.

    Science.gov (United States)

    Cabrera, Álvaro Cortés; Gil-Redondo, Rubén; Perona, Almudena; Gago, Federico; Morreale, Antonio

    2011-09-01

    A graphical user interface (GUI) for our previously published virtual screening (VS) and data management platform VSDMIP (Gil-Redondo et al. J Comput Aided Mol Design, 23:171-184, 2009) that has been developed as a plugin for the popular molecular visualization program PyMOL is presented. In addition, a ligand-based VS module (LBVS) has been implemented that complements the already existing structure-based VS (SBVS) module and can be used in those cases where the receptor's 3D structure is not known or for pre-filtering purposes. This updated version of VSDMIP is placed in the context of similar available software and its LBVS and SBVS capabilities are tested here on a reduced set of the Directory of Useful Decoys database. Comparison of results from both approaches confirms the trend found in previous studies that LBVS outperforms SBVS. We also show that by combining LBVS and SBVS, and using a cluster of ~100 modern processors, it is possible to perform complete VS studies of several million molecules in less than a month. As the main processes in VSDMIP are 100% scalable, more powerful processors and larger clusters would notably decrease this time span. The plugin is distributed under an academic license upon request from the authors. © Springer Science+Business Media B.V. 2011

  11. 4,5-Bis(4-methoxyphenoxyphthalonitrile

    Directory of Open Access Journals (Sweden)

    Tianyou Peng

    2010-10-01

    Full Text Available The title compound, C22H16N2O4, was obtained unintentionally as the product of an attempted synthesis of a new phthalocyanine. The dihedral angles formed by the central benzene ring with the aromatic rings of the methoxyphenoxy groups are 85.39 (5 and 64.19 (5°.

  12. A influência do Thiobacillus Thiooxidans na corrosão do aço inoxidável 430 em H2SO4 1 mol L-1 The influence of Thiobacillus Thiooxidans in the corrosios of stainless steel 430 in H2SO4 1 mol L-1

    Directory of Open Access Journals (Sweden)

    Priscila Anunziato

    2010-03-01

    Full Text Available A corrosão microbiológica é um dos grandes problemas industriais da atualidade. O objetivo desse trabalho é estudar a influência da Thiobacillus Thiooxidans (TT na corrosão do aço inoxidável 430 em H2SO4 1mol L-1. Nesse trabalho, foram empregadas as técnicas de: medidas gravimétricas, polarização anódica potenciostática (PA e potenciodinâmica cíclica (PC, espectroscopia de impedância eletroquímica (EIE, microscopia óptica e eletrônica de varredura (MEV. Os resultados gravimétricos mostraram que, em 180 minutos de imersão do aço no meio contendo TT, há a formação de biofilme, o qual, inicialmente, bloqueia a corrosão do metal. A PA mostrou que o TT atua catalisando a reação de oxidação do aço 430 nesse meio, sendo que resultados semelhantes foram obtidos pela EIE. A aplicação da PC, na região passiva do aço 430, nesse meio, gera a inibição da geração de biofilmes em sua superfície, resultado este comprovado pela MEV.Microbiological corrosion is a big problem in today's industry. The objective of this study is to understand the influence of Thiobacillus Thiooxidans (TT in the corrosion of 430 stainless steel (SS in H2SO4 1 mol L-1. The techniques employed were: measures of mass loss, cyclic potentiodynamic polarization (CPP and potentiostatic anodic polarization (PAP, electrochemical impedance spectroscopy (EIS, optical (OM and scanning electron microscopy (SEM. The gravimetric results showed that with the steel immersed for 180 minutes in a solution containing TT, biofilm formation occurs, which initially blocks the corrosion of the metal. The PAP has shown that the TT works as a catalizer for the oxidating reaction of 430 SS, similar results were obtained by EIS. The implementation of CPP in the passive region of the 430 steel, in this solution, inhibits biofilm generation on the surface, which was confirmed by SEM.

  13. N-(2-Chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide

    OpenAIRE

    Tadimety Madhu Chakrapani Rao; Govindaiah Shivaraja; Swamy Sreenivasa; Karikere Ekanna Manojkumar

    2013-01-01

    N-(2-Chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide (3) was synthesized by reacting 4,4,4-trifluorobutanoic acid (1) with 2-amino-4-chlorobenzonitrile (2) in the presence of triethylamine and propylphosphonic anhydride in ethyl acetate. Character­ization of the compound was done by IR, 1H-NMR, 13C-NMR, LC-MS and CHN analysis.

  14. Effect of boron oxide addition on fibre drawing, mechanical properties and dissolution behaviour of phosphate-based glass fibres with fixed 40, 45 and 50 mol% P2O5.

    Science.gov (United States)

    Sharmin, Nusrat; Parsons, Andrew J; Rudd, Chris D; Ahmed, Ifty

    2014-11-01

    Previous studies investigating manufacture of phosphate-based glass fibres from glasses fixed with P2O5 content less than 50 mol% showed that continuous manufacture without breakage was very difficult. In this study, nine phosphate-based glass formulations from the system P2O5-CaO-Na2O-MgO-B2O3 were prepared with P2O5 contents fixed at 40, 45 and 50 mol%, where Na2O was replaced by 5 and 10 mol% B2O3 and MgO and CaO were fixed to 24 and 16 mol%, respectively. The effect of B2O3 addition on the fibre drawing, fibre mechanical properties and dissolution behaviour was investigated. It was found that addition of 5 and 10 mol% B2O3 enabled successful drawing of continuous fibres from glasses with phosphate (P2O5) contents fixed at 40, 45 and 50 mol%. The mechanical properties of the fibres were found to significantly increase with increasing B2O3 content. The highest tensile strength (1200 ± 130 MPa) was recorded for 45P2O5-16CaO-5Na2O-24MgO-10B2O3 glass fibres. The fibres were annealed, and a comparison of the mechanical properties and mode of degradation of annealed and non-annealed fibres were investigated. A decrease in tensile strength and an increase in tensile modulus were observed for the annealed fibres. An assessment of the change in mechanical properties of both the annealed and non-annealed fibres was performed in phosphate-buffered saline (PBS) at 37℃ for 28 and 60 days, respectively. Initial loss of mechanical properties due to annealing was found to be recovered with degradation. The B2O3-containing glass fibres were found to degrade at a much slower rate as compared to the non-B2O3-containing fibres. Both annealed and non-annealed fibres exhibited a peeling effect of the fibre's outer layer during degradation.

  15. Comparison of ground motions estimated from prediction equations and from observed damage during the M = 4.6 1983 Liège earthquake (Belgium

    Directory of Open Access Journals (Sweden)

    D. García Moreno

    2013-08-01

    Full Text Available On 8 November 1983 an earthquake of magnitude 4.6 damaged more than 16 000 buildings in the region of Liège (Belgium. The extraordinary damage produced by this earthquake, considering its moderate magnitude, is extremely well documented, giving the opportunity to compare the consequences of a recent moderate earthquake in a typical old city of Western Europe with scenarios obtained by combining strong ground motions and vulnerability modelling. The present study compares 0.3 s spectral accelerations estimated from ground motion prediction equations typically used in Western Europe with those obtained locally by applying the statistical distribution of damaged masonry buildings to two fragility curves, one derived from the HAZUS programme of FEMA (FEMA, 1999 and another developed for high-vulnerability buildings by Lang and Bachmann (2004, and to a method proposed by Faccioli et al. (1999 relating the seismic vulnerability of buildings to the damage and ground motions. The results of this comparison reveal good agreement between maxima spectral accelerations calculated from these vulnerability and fragility curves and those predicted from attenuation law equations, suggesting peak ground accelerations for the epicentral area of the 1983 earthquake of 0.13–0.20 g (g: gravitational acceleration.

  16. [Euthanasia in Belgium].

    Science.gov (United States)

    Simón Lorda, Pablo; Barrio Cantalejo, Inés M

    2012-01-01

    The experience of the Netherlands in relation with the legalization and practice of euthanasia is better known in Spain than the Belgian experience in this matter. But the historical process of social debate in Belgium has many specific details which should be known by Spanish healthcare professionals, bioethicists, politicians and lawyers. This paper begins with a comparative analysis of both countries: Spain and Belgium and follows with a description of the milestones of the historical process of debating and, finally, passing the Belgian Law on Euthanasia in 2002. The next chapter consists of a description of the main contents of this important Law. The paper continues then with an approach to the epidemiology of the practice of euthanasia in Belgium and finishes with a description of the different positions of the actors of the process. Two positions are described more in depth: the opinion of the specialists in palliative care, and the opinion of the Catholic Church. The paper ends underlining the reason for the incorporation of the Belgian experience on euthanasia to the debate about the possibility of legalizing euthanasia in Spain.

  17. Acetylene C-H bond dissociation energy using 193. 3-nm photolysis and sub-doppler resolution H-atom spectroscopy: 127 + 1. 5 kcal mol sup minus 1

    Energy Technology Data Exchange (ETDEWEB)

    Segall, J. Lavi, R.; Wen, Y.; Wittig, C. (Univ. of Southern California, Los Angeles (USA))

    1989-10-19

    H atoms are produced by 193.3-nm C{sub 2}H{sub 2} photolysis and probed spectroscopically with sub-Doppler resolution at Lyman-{alpha} by using two-photon, two-frequency ionization, for both expansion-cooled and effusive samples. The maximum Doppler shifts are in agreement with D{sub 0}(C{sub 2}H-H) = 127 {plus minus} 1.5 kcal mol{sup {minus}1}, assuming (i) that the fastest H atoms are produced concomitantly with unexcited C{sub 2}H and (ii) that vibrationally excited C{sub 2}H{sub 2} parent is not the source of these fast H atoms. In the sense that higher detection sensitivity might allow observation of faster H atoms, 127 {plus minus} 1.5 kcal mol{sup {minus}1} is an upper limit.

  18. N-(2-Chloro-5-cyanophenyl-4,4,4-trifluorobutanamide

    Directory of Open Access Journals (Sweden)

    Tadimety Madhu Chakrapani Rao

    2013-06-01

    Full Text Available N-(2-Chloro-5-cyanophenyl-4,4,4-trifluorobutanamide (3 was synthesized by reacting 4,4,4-trifluorobutanoic acid (1 with 2-amino-4-chlorobenzonitrile (2 in the presence of triethylamine and propylphosphonic anhydride in ethyl acetate. Character­ization of the compound was done by IR, 1H-NMR, 13C-NMR, LC-MS and CHN analysis.

  19. Synthesis and biological evaluation of novel 2,4,5-triaryl-1 H-pyrazol-3(2H)-ones as inhibitors of ALK5

    Institute of Scientific and Technical Information of China (English)

    Xing Zhou Li; Xian Ping Dai; Kang Ying Lai; Li Li Wang; Zhi Bing Zheng; Song Li

    2008-01-01

    A series of 2,4,5-triaryl substituted 1H-pyrazol-3(2H)-ones,as ALK5 inhibitors,were desigened,synthesized and evaluated in vitro.Most compounds exhibited noticeable ALK5 inhibition activities at 1 μmol/L and displayed no significant cytotoxicities at 30 μmol/L.

  20. MolView users guide

    Energy Technology Data Exchange (ETDEWEB)

    Walenz, B.P.

    1996-06-01

    A system for viewing molecular data in a CAVE virtual reality environment is presented. The system, called MolView, consists of a frontend driver program that prepares the data and a backend CAVE program that displays the data. Both are written so that modifications and extensions are relatively easy to accomplish.

  1. (1R,4R,6S,7S)-5,5-Di-chloro-1,4,8,8-tetra-methyl-tri-cyclo-[5.4.1(1,7).0(4,6)]dodecan-12-one.

    Science.gov (United States)

    Benharref, Ahmed; El Karroumi, Jamal; Daran, Jean-Claude; Berraho, Moha

    2013-10-26

    The title compound, C16H24Cl2O, was synthesized in three steps from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from essential oil of the Atlas cedar (cedrus atlantica). The asymmetric unit contains two independent mol-ecules with similar conformations. Each mol-ecule is built up from two fused seven-membered rings and an additional three-membered ring arising from the reaction of himachalene with di-chloro-carbene. The dihedral angles between the mean planes of the two seven-membered rings are 75.03 (9) and 75.02 (9)° in the two independent mol-ecules.

  2. Practical Preparation of (4R,5R,E-methyl 5-(tert-butyldimethylsilyloxy-4-hydroxyhepta-2,6-dienoate

    Directory of Open Access Journals (Sweden)

    Yudhi Dwi Kurniawan

    2013-10-01

    Full Text Available This study is aimed to improve the preparation of uselful synthetic block (4R,5R,E-methyl 5-(tert-butyldimethylsilyloxy-4-hydroxyhepta-2,6-dienoate (1. This intermediate was used in the synthesis of (+-Cladospolide D. The strategy developed by Voigtritter et al. was adopted to exploit the acceleration effect of copper (I iodide. This compound was prepared from D-mannitol-derived dienediol (2 coupled with methyl acrylate through olefin cross-metathesis reaction in various conditions. It was found that performing the reaction in the presence of 3 mol% of CuI in refluxing diethyl ether gave the product up to 75% of yield with lower catalyst loading, i.e.: 2 mol%.

  3. Aberraciones cromosomales en bulbos de cebolla Allium cepa inducidas por moléculas híbridas 4-aminoquinolínicas

    Directory of Open Access Journals (Sweden)

    Ricardo Restrepo Manrique

    2012-12-01

    Full Text Available To study the toxicological properties of three hybrid compounds, quinoline-thiazolidinone (FR-72 and FR-121 and acridin-epoxyisoindolindione (FR- 154, applying named compounds to the test of the roots of Allium cepa onion bulbs. Materials and methods. Molecules FR-72, FR-121 and FR-154 were synthesized de novo according to described synthetic protocols. Clean and healthy bulbs of Allium cepa (2n = 16, previously immersed in distilled water, were dried with paper towels and placed directly into test tubes filled with the test substance. The experiments were carried out at room temperature 20 ± 2°C and were kept in darkness. The period of exposure of bulbs was 120 hours; the roots used for the genotoxicity evaluation were on average of 2 to 2.5 cm in length. The evaluation of the effect of the three quinolinic molecules on the growth of onion roots of Allium cepa bulbs was achieved using different concentrations of the three growth parameters (EC50, IM, ACs The evaluated substances performed aneugenic actions, operating at cellular and molecular structure level and preventing the fixing of mitotic spindle fibers, causing the movement of chromosomes in the anaphase or loss of chromosomes, even inducing apoptosis by exceeding the homeostatic capacity of the cell. Conclusions. The preliminary analysis indicated that molecule FR-121 at 10-6 M concentration and molecule FR-154 at 10-3 M concentration, proved to be potent phytotoxic agents causing various claustogenic and aneugenic aberrations.

  4. Balanced {C_4, C_5}-Quatrefoil Systems

    OpenAIRE

    USHIO, Kazuhiko

    2004-01-01

    In graph theory, the decomposition problems of graphs are very important topics. Various types of decompositions of many graphs can be seen in the literature of gaph theory. We give the necessary and sufficient condition for the existence of a balanced {C_4, C_5}-quatrefoil decomposition of K_n for each of (C_4, C_4, C_4, C_4)-quatrefoil, (C_4, C_4, C_4, C_5)-quatrefoil, (C_4, C_4, C_5, C_5)-quatrefoil, (C_4, C_5, C_5, C_5)-quatrefoil, and (C_5, C_5, C_5, C_5)-quatrefoil. These decompositions...

  5. 4-[5-(4-Formylphenoxypentoxy]benzaldehyde

    Directory of Open Access Journals (Sweden)

    Tomislav Balić

    2012-09-01

    Full Text Available In the title compound, C20H19O4, the benzene rings, linked via five methylene C atoms, form a dihedral angle of 77.28 (6°. In the crystal, molecules are linked via pairs of weak C—H...O interactions [graph set R22(6] into dimers that are further connected by additional weak C—H...O interactions [graph sets R22(14, R22(26 and R22(6].

  6. Thermochemistry of disputed soot formation intermediates C4H3 and C4H5

    Science.gov (United States)

    Wheeler, Steven E.; Allen, Wesley D.; Schaefer, Henry F.

    2004-11-01

    Accurate isomeric energy differences and standard enthalpies of formation for disputed intermediates in soot formation, C4H3 and C4H5, have been determined through systematic extrapolations of ab initio energies. Electron correlation has been included through second-order Z-averaged perturbation theory (ZAPT2), and spin-restricted, open-shell coupled-cluster methods through triple excitations [ROCCSD, ROCCSD(T), and ROCCSDT] utilizing the correlation-consistent hierarchy of basis sets, cc-pVXZ (X=D, T, Q, 5, and 6), followed by extrapolations to the complete basis set limit via the focal point method of Allen and co-workers. Reference geometries were fully optimized at the ROCCSD(T) level with a TZ(2d1f,2p1d) basis set. Our analysis finds that the resonance-stabilized i-C4H3 and i-C4H5 isomers lie 11.8 and 10.7 kcal mol-1 below E-n-C4H3 and E-n-C4H5, respectively, several kcal mol-1 (more, less) than reported in recent (diffusion Monte Carlo, B3LYP density-functional) studies. Moreover, in these systems Gaussian-3 (G3) theory suffers from large spin contamination in electronic wave functions, poor reference geometries, and anomalous vibrational frequencies, but fortuitous cancellation of these sizable errors leads to isomerization energies apparently accurate to 1 kcal mol-1. Using focal-point extrapolations for isodesmic reactions, we determine the enthalpies of formation (ΔfH0∘) for i-C4H3, Z-n-C4H3, E-n-C4H3, i-C4H5, Z-n-C4H5, and E-n-C4H5 to be 119.0, 130.8, 130.8, 78.4, 89.7, and 89.1 kcal mol-1, respectively. These definitive values remove any remaining uncertainty surrounding the thermochemistry of these isomers in combustion models, allowing for better assessment of whether even-carbon pathways contribute to soot formation.

  7. N-(4-Meth-oxy-phen-yl)-6-methyl-2-phenyl-5-{[4-(tri-fluoro-meth-yl)anilino]meth-yl}pyrimidin-4-amine.

    Science.gov (United States)

    Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz

    2013-11-27

    The title compound, C26H23F3N4O, crystallizes with two symmetry-independent mol-ecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the meth-oxy-phenyl ring. The -CF3 group of mol-ecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853 (4). The dihedral angles between the pyrimidine ring and the attached phenyl, meth-oxy-phenyl and tri-fluoro-methyl-phenyl rings are 8.1 (2), 37.5 (2) and 70.7 (2)°, respectively, in mol-ecule A, and 9.3 (2), 5.3 (2) and 79.7 (2)° in mol-ecule B. An intra-molecular N-H⋯N hydrogen bond occurs in each mol-ecule. In the crystal, two crystallographically independent mol-ecules associate into a dimer via a pair of N-H⋯N hydrogen bonds, with a resulting R 2 (2)(12) ring motif and π-π stacking inter-actions [centroid-centroid distance = 3.517 (4) Å] between the pyrimidine rings. For the A mol-ecules, there are inter-molecular C-H⋯O hydrogen bonds between an aryl C atom of meth-oxy-phenyl ring and a meth-oxy O atom of an adjacent mol-ecule. A similar inter-action is lacking in the B mol-ecules.

  8. Crystal structure of 4,5-bis-(3,4,5-tri-meth-oxy-phen-yl)-2H-1,2,3-triazole methanol monosolvate.

    Science.gov (United States)

    Madadi, Nikhil Reddy; Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Parkin, Sean; Crooks, Peter A

    2014-10-01

    The title compound, C20H23N3O6·CH3OH, was synthesized by [3 + 2] cyclo-addition of (Z)-2,3-bis-(3,4,5-tri-meth-oxy-phen-yl)acrylo-nitrile with sodium azide and ammonium chloride in DMF/water. The central nitro-gen of the triazole ring is protonated. The dihedral angles between the triazole ring and the 3,4,5-tri-meth-oxy-phenyl ring planes are 34.31 (4) and 45.03 (5)°, while that between the 3,4,5-tri-meth-oxy-phenyl rings is 51.87 (5)°. In the crystal, the mol-ecules, along with two methanol solvent mol-ecules are linked into an R (4) 4(10) centrosymmetric dimer by N-H⋯O and O-H⋯N hydrogen bonds.

  9. Structural analysis of xSrO-(50 - x)CaO-50P2O5 glasses with x=0, 5, or 10 mol% for potential use in a local delivery system for osteomyelitis treatment.

    Science.gov (United States)

    Comeau, P A; Filiaggi, M J

    2016-01-01

    The introduction of ions into a local delivery matrix is one method of managing degradation and subsequent release of the incorporated therapeutic agents. Of interest in this study was whether we could modify the structural nature of calcium polyphosphate (CPP) glass and the subsequent therapeutic potential of this local delivery matrix with inclusion of strontium (Sr). We found that adding 10 mol% Sr significantly increased the density and chain length of the glass. There was no significant impact of Sr doping on the subsequent loading of vancomycin into the matrix, or the matrix porosity. The noted differences in structural stability, ion release, and vancomycin release between the un-doped CPP matrices and 10 mol% Sr-doped CPP matrices in vitro are likely a result of a decrease in glass disorder upon Sr addition to the glass and preferential retention of Sr over Ca during matrix degradation. This study has provided further evidence that Sr incorporation may serve to both manipulate antibiotic release from the amorphous CPP matrix and provide a potential source of therapeutic ions for enhanced bone regeneration.

  10. Drugs used for euthanasia in Flanders, Belgium.

    Science.gov (United States)

    Vander Stichele, R H; Bilsen, J J R; Bernheim, J L; Mortier, F; Deliens, L

    2004-02-01

    Our aim was to describe and assess the medicinal products and doses used for euthanasia in a series of cases, identified within an epidemiological death certificate study in Belgium, where euthanasia was until recently legally forbidden and where guidelines for euthanasia are not available. In a random sample of the deaths in 1998 in Belgium, the physicians who signed the death certificates were identified and sent an anonymous mail questionnaire. The questionnaires of the deaths classified as euthanasia cases were reviewed by a multi-disciplinary panel. A total of 22 among 1925 questionnaires pertained to voluntary euthanasia. In 17 cases, detailed information on the euthanatics (medicinal substances used for euthanasia) used was provided. Opioids were used in 13 cases (in 7 as a single drug). Time between last dose and expiry ranged from 4 to 900 min. The panel judged that only in 4 cases effective euthanatics were used. In the end-of-life decision cases perceived by Belgian physicians as euthanasia, pharmacological practices were disparate, although dominated by the use of morphine, in the very late phase of dying, in doses which were unlikely to be lethal. Most physicians clandestinely engaging in euthanasia in Belgium seemed unaware of procedures for guaranteeing a quick, mild and certain death. Information on the pharmacological aspects of euthanasia should be included in the medical curriculum and continuing medical education, at least in countries with a legal framework permitting euthanasia under specified conditions.

  11. (1R,4R,6S,7R)-5,5-Di­bromo-1,4,8,8-tetra­methyl­tri­cyclo­[5.4.1.04,6]dodecan-12-one

    Science.gov (United States)

    Zaki, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha

    2014-01-01

    The title compound, C16H24Br2O, was synthesized from the reaction of β-himachalene (3,5,5,9-tetra­methyl-2,4a,5,6,7,8-hexa­hydro-1H-benzo­cyclo­heptene), which was isolated from Atlas cedar (Cedrus atlantica). The asymmetric unit contains two independent mol­ecules with similar conformations. Each mol­ecule is built up from two fused seven-membered rings and an additional three-membered ring. In both mol­ecules, one of the seven-membered rings has a chair conformation, whereas the other displays a screw-boat conformation. PMID:24860339

  12. (1R,4R,6S,7S)-5,5-Di­chloro-1,4,8,8-tetra­methyl­tri­cyclo­[5.4.11,7.04,6]dodecan-12-one

    Science.gov (United States)

    Benharref, Ahmed; EL Karroumi, Jamal; Daran, Jean-Claude; Berraho, Moha

    2013-01-01

    The title compound, C16H24Cl2O, was synthesized in three steps from β-himachalene (3,5,5,9-tetra­methyl-2,4a,5,6,7,8-hexa­hydro-1H-benzo­cyclo­heptene), which was isolated from essential oil of the Atlas cedar (cedrus atlantica). The asymmetric unit contains two independent mol­ecules with similar conformations. Each mol­ecule is built up from two fused seven-membered rings and an additional three-membered ring arising from the reaction of himachalene with di­chloro­carbene. The dihedral angles between the mean planes of the two seven-membered rings are 75.03 (9) and 75.02 (9)° in the two independent mol­ecules. PMID:24454129

  13. Emission and oxidation of methane in a meromictic, eutrophic and temperate lake (Dendre, Belgium).

    Science.gov (United States)

    Roland, Fleur A E; Darchambeau, François; Morana, Cédric; Bouillon, Steven; Borges, Alberto V

    2017-02-01

    We sampled the water column of the Dendre stone pit lake (Belgium) in spring, summer, autumn and winter. Depth profiles of several physico-chemical variables, nutrients, dissolved gases (CO2, CH4, N2O), sulfate, sulfide, iron and manganese concentrations and δ(13)C-CH4 were determined. We performed incubation experiments to quantify CH4 oxidation rates, with a focus on anaerobic CH4 oxidation (AOM), without and with an inhibitor of sulfate reduction (molybdate). The evolution of nitrate and sulfate concentrations during the incubations was monitored. The water column was anoxic below 20 m throughout the year, and was thermally stratified in summer and autumn. High partial pressure of CO2 and CH4 and high concentrations of ammonium and phosphate were observed in anoxic waters. Important nitrous oxide and nitrate concentration maxima were also observed (up to 440 nmol L(-1) and 80 μmol L(-1), respectively). Vertical profiles of δ(13)C-CH4 unambiguously showed the occurrence of AOM. Important AOM rates (up to 14 μmol L(-1) d(-1)) were observed and often co-occurred with nitrate consumption peaks, suggesting the occurrence of AOM coupled with nitrate reduction. AOM coupled with sulfate reduction also occurred, since AOM rates tended to be lower when molybdate was added. CH4 oxidation was mostly aerobic (∼80% of total oxidation) in spring and winter, and almost exclusively anaerobic in summer and autumn. Despite important CH4 oxidation rates, the estimated CH4 fluxes from the water surface to the atmosphere were high (mean of 732 μmol m(-2) d(-1) in spring, summer and autumn, and up to 12,482 μmol m(-2) d(-1) in winter).

  14. Investigation of an excess of Salmonella enteritidis phage type 14b and MLVA type 4-7-3-13-10-2-2 in Luxembourg, Belgium and Germany during 2010.

    Science.gov (United States)

    Mossong, J; Ragimbeau, C; Schuh, J; Weicherding, P; Peetso, R; Wildemauwe, C; Imberechts, H; Rabsch, W; Bertrand, S

    2012-01-01

    We investigated an increase of human cases of Salmonella Enteritidis occurring from August until November 2010 in Belgium, Luxembourg and Germany involving an estimated three hundred laboratory confirmed cases. Molecular typing indicated that the increase in Luxembourg and Belgium was due a particular strain having phage type 14b, MLVA pattern 4-7-3-13-10-2-2 and fully susceptible to the Enternet panel of antibiotics. MLVA and phage typing were found to have similar discriminatory power on a collection of 40 Belgian and Luxembourg strains isolated during 2010. Epidemiological investigations in Luxembourg suggested eggs as a possible source for some cases, although supermarket eggs tested were negative. No other EU countries observed a substantial increase of cases, although three smaller outbreaks in Germany were also due to a strain with the same phage type and MLVA pattern. In 2010 the EU directive banning battery cages came into force in Germany followed by a dioxin food scare incident. Given that the EU Laying Hens Directive will come into force across all Member States in 2012, a closer monitoring of Salmonella contamination of imported eggs at retail and wholesale level is recommended.

  15. 5-(Pyridin-4-ylisophthalic acid

    Directory of Open Access Journals (Sweden)

    Yong-Fang Zhang

    2010-11-01

    Full Text Available In the title compound, C13H9NO4, the two carboxylic groups and the benzene ring are approximately co-planar with a maximum atomic deviation 0.175 (4 Å, while the pyridine ring is oriented at a dihedral angle of 31.07 (18° with respect to the benzene ring. In the crystal, molecules are linked by O—H...O, O—H...N and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular framework.

  16. Revision of the gas-phase acidity scale below 300 kcal mol(-1).

    Science.gov (United States)

    Leito, Ivo; Raamat, Elin; Kütt, Agnes; Saame, Jaan; Kipper, Karin; Koppel, Ilmar A; Koppel, Ivar; Zhang, Min; Mishima, Masaaki; Yagupolskii, Lev M; Garlyauskayte, Romute Yu; Filatov, Andrey A

    2009-07-23

    The gas-phase acidity (GA) scale from (CF(3)CO)(2)NH to (C(2)F(5)SO(2))(2)NH--about a 24 kcal mol(-1) range of gas-phase acidities--was reexamined using the Fourier transform ion cyclotron resonance equilibrium measurement approach. Some additions and modifications to the standard methodology of GA measurements were introduced (estimation of partial pressures from mass spectra of the compounds, instead of the pressure gauge readings and use of long reaction times) to achieve higher reliability. Gas-phase acidities of 18 compounds were determined for the first time. The results reveal a contraction of the previously published values in this part of the scale. In particular, the GA values of (CF(3)SO(2))(2)NH and (C(2)F(5)SO(2))(2)NH (important components of lithium ion battery electrolytes and ionic liquids) were revised toward stronger acidities from 291.8 kcal mol(-1) to 286.5 kcal mol(-1) and from 289.4 kcal mol(-1) to 283.7 kcal mol(-1) (i.e., by 5.3 and 5.7 kcal mol(-1)), respectively. Experimental and computational evidence is presented in support of the current results.

  17. Crystal structures of three 3,4,5-tri-meth-oxy-benzamide-based derivatives.

    Science.gov (United States)

    Gomes, Ligia R; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda

    2016-05-01

    The crystal structures of three benzamide derivatives, viz. N-(6-hy-droxy-hex-yl)-3,4,5-tri-meth-oxy-benzamide, C16H25NO5, (1), N-(6-anilinohex-yl)-3,4,5-tri-meth-oxy-benzamide, C22H30N2O4, (2), and N-(6,6-di-eth-oxy-hex-yl)-3,4,5-tri-meth-oxy-benzamide, C20H33NO6, (3), are described. These compounds differ only in the substituent at the end of the hexyl chain and the nature of these substituents determines the differences in hydrogen bonding between the mol-ecules. In each mol-ecule, the m-meth-oxy substituents are virtually coplanar with the benzyl ring, while the p-meth-oxy substituent is almost perpendicular. The carbonyl O atom of the amide rotamer is trans related with the amidic H atom. In each structure, the benzamide N-H donor group and O acceptor atoms link the mol-ecules into C(4) chains. In 1, a terminal -OH group links the mol-ecules into a C(3) chain and the combined effect of the C(4) and C(3) chains is a ribbon made up of screw related R 2 (2)(17) rings in which the ⋯O-H⋯ chain lies in the centre of the ribbon and the tri-meth-oxy-benzyl groups forms the edges. In 2, the combination of the benzamide C(4) chain and the hydrogen bond formed by the terminal N-H group to an O atom of the 4-meth-oxy group link the mol-ecules into a chain of R 2 (2)(17) rings. In 3, the mol-ecules are linked only by C(4) chains.

  18. Entre moléculas

    OpenAIRE

    CSIC - Vicepresidencia Adjunta de Organización y Cultura Científica (VAOCC)

    2011-01-01

    Estos materiales están dirigidos a la divulgación, el fomento de la cultura científica y las vocaciones científicas, y la docencia. Es posible copiar, compartir y distribuir sus contenidos siempre y cuando se reconozca la autoría, no haya fines comerciales y no se realicen obras derivadas (CC BY-NC-ND 4.0).

  19. Poly[[hexa-aqua-sesqui(μ-benzene-1,2,4,5-tetra-carboxyl-ato)dicopper(II)disodium] monohydrate].

    Science.gov (United States)

    Camara, Magatte; Keita, Mohamed Fadel; Cisse, Cherif Cheikh Samsidine; Daiguebonne, Carole; Guillou, Olivier

    2014-08-01

    In the title compound, {[Cu2Na2(C10H2O8)1.5(H2O)6]·H2O} n , the Cu(2+) ion is hexa-coordinated by five O atoms from benzene-1,2,4,5-tetra-carboxyl-ate (btec(4-)) ligands and one water mol-ecule. The Na(+) ion is also hexa-coordinated, by four O atoms from btec(4-) ligands and two water mol-ecules. One of the two btec(4-) mol-ecules sits on a crystallographic inversion centre. CuO6 and NaO6 octa-hedra are connected, forming bi-dimensional layers. These layers, which extend parallel to the ac plane, are further inter-connected by μ10- or μ11-bridging btec(4-) ligands and by O-H⋯O hydrogen bonds, involving both btec(4-) ligands and water mol-ecules, forming a three-dimensional network.

  20. 4-Amino-pyridinium 5-carb-oxy-penta-noate monohydrate.

    Science.gov (United States)

    Raj, S Alfred Cecil; Sinthiya, A; Varghese, Babu

    2012-07-01

    In the title hydrated salt, C(5)H(7)N(2) (+)·C(6)H(9)O(4) (-)·H(2)O, the carb-oxy H atom is disordered over two positions with equal occupancy. In the crystal, O atoms of the 5-carb-oxy-penta-noate anion link the 4-amino-pyridinium cations and water mol-ecules into a three-dimensional network via N-H⋯O hydrogen bonds. The crystal structure is further consolidated by O-H⋯O hydrogen bonds involving the anion and the solvent water mol-ecule.

  1. Robert Cailliau honoured by Belgium

    CERN Multimedia

    2004-01-01

    On 15 November, Robert Cailliau received the distinction of Commandeur de l'Ordre de Léopold from Belgium, his home country, for his pioneering work in developing the World Wide Web. Robert Cailliau worked closely with Tim Berners-Lee, the inventor of the Web.

  2. Compressive strain-dependent bending strength property of Al{sub 2}O{sub 3}-ZrO{sub 2} (1.5 mol% Y{sub 2}O{sub 3}) composites performance by HIP

    Energy Technology Data Exchange (ETDEWEB)

    Reyes-Rojas, A. [Centro de Investigacion en Materiales Avanzados S.C. (CIMAV), Miguel de Cervantes 120, Complejo Industrial Chihuahua, Cd. de Chihuahua, Chihuahua (Mexico)], E-mail: armando_reyesmx@yahoo.com.mx; Esparza-Ponce, H. [Centro de Investigacion en Materiales Avanzados S.C. (CIMAV), Miguel de Cervantes 120, Complejo Industrial Chihuahua, Cd. de Chihuahua, Chihuahua (Mexico); De la Torre, S.D. [Centro de Investigacion e Innovacion Tecnologica (CIITEC)-IPN, D.F. Mexico (Mexico); Torres-Moye, E. [Centro de Investigacion en Materiales Avanzados S.C. (CIMAV), Miguel de Cervantes 120, Complejo Industrial Chihuahua, Cd. de Chihuahua, Chihuahua (Mexico)

    2009-04-15

    Nanometric powders and sintered ceramics of Al{sub 2}O{sub 3}-ZrO{sub 2} (1.5 mol% Y{sub 2}O{sub 3}) prepared by hot isostatic pressing HIP have been studied. A detailed crystallographic study has been performed through X-ray diffraction, Williamson-Hall method, Rietveld method and high-resolution electron microscopy HREM analysis. The crystallographic structure data, such as domain size, lattice parameters, wt% phase, and micro-strain direction have been obtained using Rietveld refinement and Williamson-Hall methods. The results revealed that the compressive strain ({epsilon}) increased from 0.56 to 1.18 (10{sup -3}) as the t-ZrO{sub 2} content increased too. The HREM interface study conducted along the [0 0 0 1]Al{sub 2}O{sub 3}||[0 0 1]ZrO{sub 2} zone axis revealed a micro-strain lattice distortion accumulated at the grain boundary due to the ZrO{sub 2} martensitic phase transformation on cooling, t-ZrO{sub 2} grains coalescence and to the grain growth of {alpha}-Al{sub 2}O{sub 3} which cause elongated tetragonal crystals. Micro-strain lattice distortion is adjusted by the shear displacements of the planes (1 1 0) and (11-bar0) along [1-bar10] and [1-bar1-bar0] crystallographic directions, respectively; these planes are arrested by the (101-bar0) alumina plane. In this case, semi-coherent interfaces were observed along the grain boundary. It is verified that the bending strength increased in connection with the strain accumulation and amount of tetragonal structure.

  3. Non-Isothermal Kinetics of Thermal Decomposition of a Novel Antitumor Agent 4- {5- [3,4-Dimethyl-5- (3,4,5-Trimethoxyphenyl) Thiophen-2-yl] -2- Methoxyphenyl} Morpholine

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The thermal decomposition of a new antitumor agent, 4-{5-[3,4-dimethyl-5-(3,4,5-trime-thoxyphenyl)thiophen-2-yl--2-methoxyphenyl} morpholine was studied by Differential Scanning Calorimetry (DSC) and Thermogravimetry (TG)/ Derivative Thermogravimetry (DTG) methods at a flow rate of nitrogen gas of 120 mL/min. The kinetic parameters were obtained from the analysis of the corresponding curves by Kissinger's method, Ozawa's method and the integral method. The results indicate that the apparent activation energy and pre-exponential constants of the decomposition reaction are 106.67 kJ/mol and 106.19 S-1, respectively.

  4. Strongly enhanced vortex pinning from 4 to 77 K in magnetic fields up to 31 T in 15 mol.% Zr-added (Gd, Y-Ba-Cu-O superconducting tapes

    Directory of Open Access Journals (Sweden)

    A. Xu

    2014-04-01

    Full Text Available Applications of REBCO coated conductors are now being developed for a very wide range of temperatures and magnetic fields and it is not yet clear whether vortex pinning strategies aimed for high temperature, low field operation are equally valid at lower temperatures and higher fields. A detailed characterization of the superconducting properties of a 15 mol. % Zr-added REBCO thin film made by metal organic chemical vapor deposition, from 4.2 to 77 K under magnetic fields up to 31 T is presented in this article. Even at a such high level of Zr addition, Tc depression has been avoided (Tc = 91 K, while at the same time an exceptionally high irreversibility field Hirr ≈ 14.8 T at 77 K and a remarkably high vortex pinning force density Fp ≈ 1.7 TN/m3 at 4.2 K have been achieved. We ascribe the excellent pinning performance at high temperatures to the high density (equivalent vortex matching field ∼7 T of self-assembled BZO nanorods, while the low temperature pinning force is enhanced by large additional pinning which we ascribe to strain-induced point defects induced in the REBCO matrix by the BZO nanorods. Our results suggest even more room for further performance enhancement of commercial REBCO coated conductors and point the way to REBCO coil applications at liquid nitrogen temperatures since the critical current density Jc(H//c characteristic at 77 K are now almost identical to those of fully optimized Nb-Ti at 4 K.

  5. On the Diophantine equation x^4-q^4=py^5

    CERN Document Server

    Savin, Diana

    2009-01-01

    In this paper we study the Diophantine equation $x^{4}-q^{4}=py^{5},$ with the following conditions: $p$ and $q$ are different prime natural numbers, $y$ is not divisible with $p$, $p\\equiv3$ (mod20), $q\\equiv4$ (mod5), $\\overline{p}$ is a generator of the group $(U(\\textbf{Z}_{q^{4}}),\\cdot)$, $(x,y)=1$, 2 is a 5-power residue mod $q$.

  6. (2E)-1-(5-Chloro-thio-phen-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

    Science.gov (United States)

    Prabhu, A N; Jayarama, A; Row, T N Guru; Upadhyaya, V

    2011-08-01

    In the title mol-ecule, C(16)H(15)ClO(4)S, the chloro-thio-phene and trimeth-oxy-phenyl rings make a dihedral angle of 31.12 (5)°. The C=C double bond exhibits an E conformation. In the crystal, C-H⋯O inter-actions generate bifurcated bonds, linking the mol-ecules into chains along the b axis.

  7. Bis(4-fluorobenzylbis(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiodiazole-2-thiolatotin(IV

    Directory of Open Access Journals (Sweden)

    Lei Li

    2012-01-01

    Full Text Available In the title complex, [Sn(C7H6F2(C8H5N2S32], including the weak Sn—N interactions, the SnIV atom is situated in a distorted trans-octahedral geometry, and the equatorial plane is defined by two chelating 4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiodiazole-2-thiolate ligands. The apical positions are occupied by two C atoms of 4-fluorobenzyl groups.

  8. Retraction RETRACTION of "Association between polymorphisms in the XRCC1 gene and the risk of non-small cell lung cancer", by Han JC, Zhang YJ and Li XD - Genet. Mol. Res. 14 (4): 12888-12893 (2015).

    Science.gov (United States)

    Han, J C; Zhang, Y J; Li, X D

    2016-10-07

    The retracted article is: Han JC, Zhang YJ and Li XD (2015). Association between polymorphisms in the XRCC1 gene and the risk of non-small cell lung cancer. Genet. Mol. Res. 14: 12888-12893. The GMR editorial staff was alerted about this article (received on May 3, 2015; accepted on August 18, 2015) published on October 21, 2015 (DOI: 10.4238/2015.October.21.9) that was found to be substantially similar to the publication of "Association of XRCC1 gene polymorphisms with risk of non-small cell lung cancer" (received on January 25, 2015; accepted on March 23, 2015; e-published on April 1, 2015) by Kang et al., published in the International Journal of Clinical Experimental Pathology 8 (4): 4171-4176. The authors were aware of the Kang et al.'s paper, since they cite it several times in the manuscript published in GMR. Some of the language is similar between the two manuscripts, but what is the most concerning is that several of the tables in the papers are nearly identical. Tables 2 and 3 are exactly identical between the two articles, suggesting that the publication in GMR was plagiarized from the publication in the International Journal of Clinical Experimental Pathology. The Publisher and Editor decided to retract these articles in accordance with the recommendations of the Committee on Publication Ethics (COPE). After a thorough investigation, we have strong reason to believe that the peer review process was failure and, after review and contacting the authors, the editors of Genetics and Molecular Research decided to retract the article. The authors and their institutions were advised of this serious breach of ethics.

  9. Molecular Subtyping of Salmonella Typhimurium with Multiplex Oligonucleotide Ligation-PCR (MOL-PCR).

    Science.gov (United States)

    Wuyts, Véronique; Mattheus, Wesley; Roosens, Nancy H C; Marchal, Kathleen; Bertrand, Sophie; De Keersmaecker, Sigrid C J

    2017-01-01

    A multiplex oligonucleotide ligation-PCR (MOL-PCR) assay is a valuable high-throughput technique for the detection of bacteria and viruses, for characterization of pathogens and for diagnosis of genetic diseases, as it allows one to combine different types of molecular markers in a high-throughput multiplex assay. A MOL-PCR assay starts with a multiplex oligonucleotide ligation reaction for detection of the molecular marker, followed by a singleplex PCR for signal amplification and analysis of the MOL-PCR products on a Luminex platform. This last step occurs through a liquid bead suspension array in which the MOL-PCR products are hybridized to MagPlex-TAG beads.In this chapter, we describe the complete procedure for a MOL-PCR assay for subtyping of Salmonella enterica subsp. enterica serovar Typhimurium (S. Typhimurium) and its monophasic variant S. 1,4[5],12:i:- from DNA isolation through heat lysis up to data interpretation through a Gödel Prime Product. The subtyping assay consists of 50 discriminative molecular markers and two internal positive control markers divided over three MOL-PCR assays.

  10. 40 CFR 721.5645 - Pentane 1,1,1,2,3,4,4,5,5,5,-decafluoro.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Pentane 1,1,1,2,3,4,4,5,5,5... Specific Chemical Substances § 721.5645 Pentane 1,1,1,2,3,4,4,5,5,5,-decafluoro. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as pentane 1,1,1,2,3,4,4,5,5...

  11. 5 CFR 2.4 - Probationary period.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Probationary period. 2.4 Section 2.4... SYSTEM (RULE II) § 2.4 Probationary period. Persons selected from registers of eligibles for career or... time, to supervisory or managerial positions shall be required to serve a probationary period under...

  12. 5 CFR 1639.4 - Definitions.

    Science.gov (United States)

    2010-01-01

    ... additional withholding; (3) Health insurance premiums; (4) Normal retirement contributions as explained in 5 CFR 581.105(e); (5) Normal life insurance premiums, excluding optional life insurance premiums; and (6... deduction of any amount required by law to be withheld, excluding any garnishment under 5 CFR parts 581,...

  13. Anti-Armor Defense Data Study (A2D2). Phase 2. Volume 4. US Anti-Tank Defense at Krinkelt-Rocherath, Belgium (December, 1944)

    Science.gov (United States)

    1991-02-15

    the vehicle commander to move to a position from where he could take out the German tank, but the commander refused, citing a number of reasons ...course for humintarian reasons . in sew sources Farrett is Identified as being onty a private. 185 II US tank Bazooka teams FIGURE 20. SILENCING TANKS 3...had left. 189 . 4 a 4-b F- 4a1 ~ . .0 .0 4. A ." ow aw oc ow 6vC 4.)Im p I-e- 4-p- M-- 4a-r .f .4a = CIDp W),- anp A0p 4Ad S mg =a CI =8 a ar CI *b be3

  14. Anatomia da madeira e casca de espinilho, Acacia caven Mol.Mol.

    Directory of Open Access Journals (Sweden)

    José Newton Cardoso Marchiori

    2009-09-01

    Full Text Available Normal 0 21 false false false MicrosoftInternetExplorer4 São descritos os aspectos anatômicos da madeira e casca de Acácia caven (Mol. Mol. São apresentados dados quantitativos de 34 caracteres do xilema secundário, bem como fotomicrografias das estruturas anatômicas da madeira e casca. A ausência de septos em fibras, a abundância de parênquima axial e a elevada percentagem de raios com 4 ou mais células de largura, são os caracteres mais importantes na estrutura do lenho. O arranjo das fibras floemáticas em feixes tangenciais regulares, rodeados por séries cristalíferas, é, por sua vez, o aspecto mais notável da casca. Este caráter ainda não havia sido reportado pela literatura anatômica das acácias sul-americanas, e pode ter valor taxonômico em nível infra-genérico.

  15. Pengaruh Rasio Mol Reaktan dan Lama Sulfonasi terhadap Karakteristik Methyl Ester Sulfonic (MES) dari Metil Ester Minyak Sawit (Effects of Mol Ratio and Sulfonation Time on Methyl Ester Sulfonic (MES) Characteristics from Methyl Ester of Palm Oil)

    OpenAIRE

    Sri Hidayati; Pudji Permadi; Hestuti Eni

    2017-01-01

    An experiment of sulfonation process of methyl ester to produce methyl ester sulfonates (MES) was caried out using methyl ester palm oil in factorial design and NaHSO as sulfonating agent with variation of ratio mol NaHSO : methyl ester (1:1.25, 1:1.5, 1:1.75 and 1:2 ) and sulfonation time (3 hour (L1), 4.5 hour (L2) and 6 hour (L3). The result showed that the best sulfonation condition present in 1:1,5 mol ratio and sulfonation time of 4,5 hour. The best characteristic of MES was produced em...

  16. Evaluating the Early Benefit of Quadrivalent HPV Vaccine on Genital Warts in Belgium: A Cohort Study.

    Directory of Open Access Journals (Sweden)

    Geraldine Dominiak-Felden

    Full Text Available Genital warts (GWs are common, with about 5% to 10% of people having at least one episode in their lifetime. They develop about 2-3 months after infection with human papillomavirus (HPV genotypes 6 and 11. The prophylactic quadrivalent HPV vaccine (qHPV, protects against HPV6/11 infections and diseases. In Belgium, HPV vaccines started to be reimbursed in 2007 and have been fully reimbursed since December 2008 for women 12 to 18 years old. This study aimed at evaluating the real-life benefit of qHPV vaccine introduction in Belgium on GWs by measuring both vaccine impact (VI at a population level and the direct effect of the qHPV vaccine at an individual level (vaccine effectiveness (VE, using data from a large sick-fund (MLOZ reimbursement database. A first reimbursement for imiquimod (most common first-line GWs treatment in Belgium was used as a surrogate for a first GWs episode; reimbursement of qHPV vaccine was used as surrogate for vaccination. VI was estimated by comparing the incidence of GWs before and after qHPV vaccine introduction in Belgium (ecologic evaluation. VE was assessed by comparing GWs incidences in vaccinated vs. unvaccinated women, among women eligible for HPV vaccination. VI was evaluated in 9,223,384 person-years. Overall, GWs incidence rates decreased significantly between the pre- and post-vaccination periods (-8.1% (95% CI: -15.3; -0.3 for men and women aged 18-59 years. This decrease was highest in women targeted by the HPV vaccination programme (-72.1% (95% CI: -77.9; -64.7 in women aged 16-22 years, with a 43% vaccine uptake in 2013. A significant decrease was also observed in men aged 16-22 years (-51.1%, 95%CI: -67.6; -26.2, suggesting herd-protection. VE was evaluated in 369,881 person-years. Age-adjusted VE for fully vaccinated women was 88.0% (95% CI: 79.4; 93.0. VE was higher when the first dose was given younger and remained high for over 4 years post-vaccination in all ages. High VI and VE of the q

  17. The underlying proantiarrhythmic mechanism of 5-HT_4 receptor agonist and 5-HT_3 receptor antagonist 2-[1-(4-piperonyl)piperazinyl]benzothiazole%5-HT_4受体激动剂兼5-HT_3 受体阻断剂2-[1-(4-piperonyl)piperazinyl]-benzothiazole致心律失常机制探析

    Institute of Scientific and Technical Information of China (English)

    刘清华; 张杨; 林媛媛; 吴博威

    2010-01-01

    目的 观察5-HT_4受体激动剂兼5-HT_3受体阻断剂2-[1-(4-piperonyl)piperazinyl]benzothiazole对大鼠离体心脏心律的影响,并探析其电生理学机制.方法 采用成年健康SD大鼠建立离体心脏Langendorff主动脉逆行灌流系统,观察0.1~10 μmol · L~(-1) 2-[1-(4-piperonyl)piperazinyl]benzothiazole对离体心脏节律的影响,全程记录心电图的变化.应用全细胞膜片钳技术观察2-[1-(4-piperonyl)piperazinyl]benzothiazole对胶原酶分解的大鼠心室肌细胞膜内向整流钾电流(I_(K1))、瞬时外向钾电流(I_(to))、静息膜电位(RMP)及动作电位(AP)的影响.结果 在大鼠离体心脏,0.1~10 μmol·L~(-1) 2-[1-(4-piperonyl)piperazinyl]benzothiazole可诱发明显的心律失常.给药15 min内,药物(10 μmol·L~(-1))诱发期前收缩(PVB)236±37个,室速(VT)和室颤(VF)发生率分别达到87.5%和62.5%(n=8,P<0.01).膜片钳记录结果显示,0.1~10 μmol·L~(-1) 2-[1-(4-piperonyl)piperazinyl]benzothiazole可浓度依赖性抑制大鼠心室肌IK1(EC50=0.74 μmol·L~(-1))和I_(to)(EC_(50)=2.16 μmol·L~(-1)),降低膜电位,并明显延长动作电位时程(n=6,P<0.01).结论 作为5-HT_4受体激动剂和5-HT_3受体阻断剂2-[1-(4-pipero-nyl)piperazinyl]benzothiazole致大鼠心律失常风险的电生理学机制为抑制I_(K1)和I_(to),降低膜电位,延长动作电位时程.

  18. ANATOMIA DA MADEIRA E CASCA DO ESPINILHO, Acacia caven (Mol. Mol.

    Directory of Open Access Journals (Sweden)

    José Newton Cardoso Marchiori

    1992-12-01

    Full Text Available São descritos os aspectos anatômicos da madeira e casca de Acacia cavem (Mol. Mol. São apresentados dados quantitativos de 34 características do xilema secundário, bem como fotomicrografias das estruturas anatômicas da madeira e casca. A ausência de septos em fibras, a abundância de parênquima axial e a elevada percentagem de raios com 4 ou mais células de largura, são os caracteres mais importantes na estrutura do lenho. O arranjo das fibras floemáticas em feixes tangenciais regulares, rodeados por sériescristalíferas, é, por sua vez, o aspecto mais notável da casca. Este caráter ainda não havia sido reportado pela literatura anatômica das acácias sul-americanas, e pode ter valor taxonômico em nivel infra-genético.

  19. Railway suicide in Belgium 1998-2009: incidence and prevention.

    Science.gov (United States)

    Andriessen, Karl; Krysinska, Karolina

    2012-01-01

    Belgium is a country with a high suicide rate (19.1/100,000 in 2004), and railway suicide poses a substantial safety and public health problem. This problem was addressed by the Suicide Prevention Unit of Infrabel (Manager of the Belgian Railway Infrastructure), which collects relevant data and implements a prevention program. To present data on fatal and nonfatal suicidal behavior on the Belgian railway network, including monthly and regional distribution and identification of hotspots; and to present the Infrabel suicide prevention program. Analysis of Infrabel data on railway suicide (1998-2009) and comparison with data on suicide in Belgium. A total of 1,092 railway suicides (1998-2009) and 557 suicide attempts (2003-2009) in Belgium (fatality rate of 54%) were studied. Monthly fluctuations were observed, with the majority of suicides occurring in Flanders, followed by Wallonia and Brussels. We identified 34 hotspots accounting for 35% of cases, mostly in Flanders. In 2004 railway suicide accounted for 5.3% of all suicides in Belgium (railway suicide rate of 1.03/100,000). Such a major human and economic loss warrants implementation of prevention measures. Infrabel has initiated a comprehensive suicide prevention program which focuses mainly on safeguarding the suicide hotspots.

  20. A Potentiometric, Spectrophotometric and Pitzer Ion-Interaction Study of Reaction Equilibria in the Aqueous H+-Al3+, H+-Oxalate and H+-Al3+-Oxalate Systems up to 5 mol*dm-3 NaCl

    Energy Technology Data Exchange (ETDEWEB)

    Boily, Jean F.; Qafoku, Odeta; Felmy, Andrew R.

    2007-12-01

    Aluminium-oxalate complexation was determined in acidic media of aqueous NaCl solutions ranging from 0.1-5.0 mol•dm-3. Complexation in the H+-Al3+ and H+-Oxalate systems was also studied to provide a set of internally consistent thermodynamic data. The ionic strength dependent formation constants describing the stabilities of the Al3+, AlOH2+, Al3(OH)45+, Al13O4(OH)247+, H2L, HL-, L2-, AlL+, AlL2- and AlL33- species (where L is the oxalate ion) was also described using a Pitzer ion interaction model. The derived parameters can be used to predict chemical speciation in the H+-Al3+-Oxalate system in the 0.1-5.0 mol•dm-3 NaCl range.

  1. Agricultural marketing in Belgium and The Netherlands

    NARCIS (Netherlands)

    Meulenberg, M.T.G.; Viaene, J.

    1993-01-01

    Agriculture in Belgium and the Netherlands has a strong export tradition and has been market oriented for a long time. In this article agricultural markeling in Belgium and the Netherlands is analyzed on the basis of the concepts structure, conduct and performance. In our review of market structure

  2. Trends in dragonfly occurrence in Belgium (Odonata)

    NARCIS (Netherlands)

    Knijf, de G.; Anselin, A.; Goffart, P.

    2003-01-01

    Trends in dragonfly occurrence in Belgium (Odonata) The group ‘Gomphus’ collected 65 000 records of 69 species of Odonata, more or less equally scattered over Belgium. The best-investigated areas are the northern part and some river valleys in the south. Most hot spots can be found in the northeaste

  3. Trends in dragonfly occurrence in Belgium (Odonata)

    NARCIS (Netherlands)

    Knijf, de G.; Anselin, A.; Goffart, P.

    2003-01-01

    Trends in dragonfly occurrence in Belgium (Odonata) The group ‘Gomphus’ collected 65 000 records of 69 species of Odonata, more or less equally scattered over Belgium. The best-investigated areas are the northern part and some river valleys in the south. Most hot spots can be found in the northeaste

  4. [History of anaesthesia in Belgium].

    Science.gov (United States)

    De Rood, M

    2012-01-01

    Man has for a long time searched means of fighting pain, by administration of plant extracts such as poppy seed, jimson weed, henbane, mandrake and alcohol. These substances were given in the form of cataplasms, potions or clysters. Somniferous sponges, applied on the face, were known since Antiquity and have been in use in some countries up to the 13th century. Surgery and pain were inseparable till mid 19th century. Indications for surgery were few, even though some patients could benefit from these sedative drugs. The anesthetic properties of ether and nitrous oxide (laughing gas), known since the 18th century, were only recognized in the 19th century. William Morton, a dentist, was the first to successfully provide general anesthesia with ether in 1846 in Boston. News spread to England shortly afterwards. On the European continent, the first use of ether was due to 2 Belgian surgeons. Next came chloroform as novel anesthetic. They were administered via either a gauze or a mask by the general practitioner, a medical student or a nurse. Unlike England, the use of these drugs for obstetrical anesthesia (called anesthesia "a la reine", alluding to Queen Victoria who benefited from chloroform during childbirth) was never very popular in Belgium. Since the years 1880, the use of cocaine, then of novocaine allowed to perform local anesthesia, then local nerve blocks and spinal anesthesia, installed by the surgeon prior to operating. Since then, surgery experienced rapid progress, Belgium included. During the 1914-1918 first World War, these advances saved many human lives. When general anesthesia was necessary, it was cared for by another physician or a nurse. The interwar period did not see significant advances in anesthesia, except in intravenous anesthesia with barbiturates, appeared in the late 1930's. Intra- and postoperative complications were frequent. Apart from sulfonamides, antibiotics were non-existent. During the war 1940-45, there was no progress in

  5. Vojeslav Molè as Ekphrastic Poet

    Directory of Open Access Journals (Sweden)

    Robert Simonišek

    2017-07-01

    Full Text Available The paper analyses the ekphrastic poetry of the art historian Vojeslav Molè (1886–1973, who shaped Slovene art history and was in his youth a poet and essayist. Before he emigrated to Poland in 1926, Molè published two poetry collections, a few essays related to art history and some poems.. Formally, Molè’s poetry was marked by his interests in Antiquity and Symbolism, and his major themes were love, women, and, later in his career, an idealistic longing for youth. While in Rome he was fascinated by Tizian paintings Sacred and Profane Love, as well as Leonardo da Vinci’s Mona Lisa and Rafael’s Apollo and Marsyas, published in 1910 in his first book When Flowers Bloomed. During his stay in Rome he also wrote the essay Art and Nature, in which he discussed the relationships among visual art, literature and nature. Poems like Giorgione and Byzantine Madonna make reference to Venice and the monuments he visited during his travels. In terms of ekphrasis, Molè applies a classical approach to underline the beauty and importance of the focal artistic works. His ekphrastic perspective is rather similar to that of romantic poetry. During WW I Molè was captured as a prisoner and sent to Siberia, where he wrote the poems that were eventually collected in Tristia ex Siberia, published in 1920. Despite the fact that Molè was fascinated by Rilke’s poetry, which played important role in his artistic development, it is not possible to know whether he was influenced by that author’s most famous ekphrastic poem, Archaic Torso of Apollo. Overall, most of Molè’s ekphrastic poetry refers to much earlier works of art, with only a few exceptions. One of these is the poem The Sower, that could have been inspired by The Sower, an oil on canvas that was painted by Molè’s contemporary, the Slovene Impressionist Ivan Grohar.

  6. Differences between HTML-5 and HTML-4

    OpenAIRE

    Kupka, Jaromír

    2010-01-01

    The Bachelor thesis discusses the problem of HTML, in the concrete it discusses differences between HTML-5, which is getting ready, and HTML 4.01, which is the actual version. The work is separate into two parts -- the theoretical and the practical. The goal of the theoretical part is to find out the actual situation in the development of HTML-5 and to depict the new elements of HTML-5. The goal of practical part is to find out if web browsers are reacting on the new elements of HTML-5 and ho...

  7. 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole)

    Science.gov (United States)

    Wang, Haitao; Jia, Xiaoshi; Qu, Songnan; Bai, Binglian; Li, Min

    2011-01-01

    The title mol­ecule, C24H14N4O2, lies on an inversion centre and the asymmetric unit containg one half-mol­ecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These mol­ecules are π-stacked along the crystallographic a axis, with an inter­planar distance of 3.337 (1) Å. Adjacent mol­ecules are slipped from the ‘ideal’ cofacial π-stack in both the long and short mol­ecular axis (the long mol­ecular axis is defined as the line through the naphthalene C atom in the 6-position and the mol­ecular center, the short mol­ecular axis is in the mol­ecular plane perpendicular to it). The slip distance along the long mol­ecular axis (S 1) is 7.064 (1) Å, nearly a two-ring-length displacement. The side slip (S 2, along the short mol­ecular axis) is 1.159 (8) Å. PMID:22199854

  8. 4′-Formylbenzo-15-crown-5

    Directory of Open Access Journals (Sweden)

    Conrad Fischer

    2008-08-01

    Full Text Available In the title compound (systematic name: 17-formyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15,17,19-triene, C15H20O6, the 15-crown-5 ring adopts a twisted conformation. The formyl group is coplanar with the benzene ring. The crystal packing is stabilized by C—H...O interactions involving the C=O group and ether O atoms as acceptors and methylene CH groups as donors.

  9. Sofosbuvir in Combination with Simeprevir +/- Ribavirin in Genotype 4 Hepatitis C Patients with Advanced Fibrosis or Cirrhosis: A Real-World Experience from Belgium

    Science.gov (United States)

    Degré, Delphine; Sersté, Thomas; Lasser, Luc; Delwaide, Jean; Starkel, Peter; Laleman, Wim; Langlet, Philippe; Reynaert, Hendrik; Bourgeois, Stefan; Vanwolleghem, Thomas; Negrin Dastis, Sergio; Gustot, Thierry; Geerts, Anja; Van Steenkiste, Christophe; de Galocsy, Chantal; Lepida, Antonia; Orlent, Hans; Moreno, Christophe

    2017-01-01

    Introduction Hepatitis C virus (HCV) is a major global health issue and successful treatment has been associated with a reduction of risk of all-cause mortality. Advancements have been made in HCV treatment through the use of interferon-free regimens. Most trials have been conducted in HCV genotype (GT) 1 and data for interferon-free regimens in GT4 patients are limited. The aim of this study was to evaluate the safety and efficacy of sofosbuvir plus simeprevir in a real-world cohort of HCV GT4 patients with advanced fibrosis. Patients and Methods Eighty-seven GT4 treatment-naïve or –Interferon (IFN) ribavirin (RBV) experienced patients treated with sofosbuvir and simeprevir +/- ribavirin (RBV) were enrolled in this cohort study (41% severe fibrosis, 59% cirrhosis). Results Patients were 51.7% male, 78.2% IFN/RBV treatment-experienced, and 37.9% received RBV treatment. The overall sustained virologic response at least 12 weeks after treatment (SVR12) rate was 87.4% while patients treated with and without RBV had rates of 87.9% and 87% (p = 0.593), respectively, and patients with advanced fibrosis (F3) and patients with cirrhosis had SVR12 rates of 94.4% and 82.4% (p = 0.087), respectively. SVR12 rates in treatment-naïve patients and in IFN/RBV -experienced patients were 78.9% and 89.7% (p = 0.191), respectively. Treatment failure occurred most commonly in patients with cirrhosis and severe disease. The treatment was well tolerated and no patient died or discontinued treatment due to adverse events. Conclusions Sofosbuvir in combination with simeprevir +/- ribavirin in GT 4 HCV patients with advanced fibrosis achieved high SVR12 rates and was well tolerated. RBV did not appear to increase the rate of SVR12. PMID:28125694

  10. Effects of icariin on cGMP—specific PDE5 and cAMP—specific PDE4 activities

    Institute of Scientific and Technical Information of China (English)

    ZCXin; EKKim; CSLin; WJLiu; LTian; YMYuan; JFu

    2003-01-01

    Aim:To clarify the mechanism of the therapeutic action of icariin on erectlile dysfunction(ED).Methods:PDE5 was isolated from the human platelet and PDE4 form the rat liver tissue using the FPLC system (Pharmacia,Milton Keynes,UK)and the Mono Q column.The inhibitory effects of icariin on PDE5 and PDE4 activities were investigated by the two-step radioisotope procedure with [3H]-c GMP/[3H]-cAMP.Papaverine served as the control drug.Results:Icariin and papaverine showed dose-dependent inhibitory effects on PDE5 and PDE4 activities.The IC50 of Icariin and papaverine on PDE5 were 0.432μ mol/L and 0.680μmol/L,respectively and those on PDE4,73.50μmol/L and 3.07μmol/L,respectively.The potencies of selectivity of icariin and papaverine on PDE5(PDE4/PDE5 of IC50)were 167.67 times and 4.54 times,respectively.Conclusion:Icariin is a cGMP-specific PDE5 inhibitor that may be developed into an oral effective agent for the treatment of ED.

  11. 4-(4-Chloro-phen-yl)-6-hydr-oxy-5-(2-thienyl-carbonyl)-6-(trifluoro-meth-yl)-3,4,5,6-tetra-hydro-pyrimidin-2(1H)-one monohydrate.

    Science.gov (United States)

    Mosslemin, Mohammad Hossein; Nateghi, Mohammad Reza; Sadoughi, Hesamaddin; Lamei, Asal

    2009-05-20

    The asymmetric unit of the title compound, C(16)H(12)ClF(3)N(2)O(3)S·H(2)O, contains two crystallographically independent organic mol-ecules and two water mol-ecules. The organic species are linked by an inter-molecular O-H⋯O hydrogen bond, while the water mol-ecules are connected to them through inter-molecular O-H⋯N hydrogen bonds. The thio-phene and phenyl rings are oriented at dihedral angles of 62.35 (4) in the first independent mol-ecule and 60.74 (5)° in the second, while the pyrimidine rings adopt twisted conformations in both molecules. Intra-molecular N-H⋯F inter-actions result in the formation of two five-membered rings having envelope conformations. In the crystal structure, further inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into chains.

  12. Synthesis and Crystal Structure of Diethyl 5-Acetoxy-3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl-5-phosphonate

    Institute of Scientific and Technical Information of China (English)

    SHANG Zhi-Qiang; CHEN Ru-Yu; HUANG You

    2006-01-01

    The crystal structure of the title compound, diethyl 5-acetoxy-3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl-5-phosphonate (Ci5H19ClNO6P, Mr = 375.73), has been synthesized by the treatment of nitrile oxides and 1-acetyloxy-vinylphosphonate under very mild conditions in good yields, and determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group C2/c with a = 16.914(10), b = 10.567(7), c = 21.927(13)(A),β = 110.249(11)°, V= 3677(4)(A)3,Z = 8, Dc = 1.358 g/cm3, F(000) = 1568, μ(MoKa) = 0.324 mm-1, S = 1.011, the final R = 0.0661and wR = 0.1556. The X-ray analytic results showed that the dihedral angle between the phenyl group and the isoxazoline ring is 10.7°.

  13. Euthanasia for Detainees in Belgium.

    Science.gov (United States)

    Devolder, Katrien

    2016-07-01

    In 2011, Frank Van Den Bleeken became the first detainee to request euthanasia under Belgium's Euthanasia Act of 2002. This article investigates whether it would be lawful and morally permissible for a doctor to accede to this request. Though Van Den Bleeken has not been held accountable for the crimes he committed, he has been detained in an ordinary prison, without appropriate psychiatric care, for more than 30 years. It is first established that Van Den Bleeken's euthanasia request plausibly meets the relevant conditions of the Euthanasia Act and that, consequently, a doctor could lawfully fulfill it. Next, it is argued that autonomy-based reasons for euthanizing him outweigh complicity-based reasons against doing so, and that, therefore, it is also morally permissible for a doctor to carry out the euthanasia request.

  14. The Sorrows of Belgium. Introduction

    Directory of Open Access Journals (Sweden)

    Nico Wouters

    2014-12-01

    Full Text Available On the surface one might assume Martin Conway’s The Sorrows of Belgium. Liberation and political reconstruction 1944-1947 (Oxford, 2012 is exactly what its title implies - a book about the difficult early post-war years in Belgium, and in part this book is exactly that. Conway does offer a detailed cross-sectional analysis of the post-war transition years, ending his story with the Communist departure from the Belgian government in 1947. This book does a lot more than that however, as it attempts to use Belgium to better understand how European state restorations after World War Two in general took shape. In his book Conway confidently merges political, social and economic history that are often still detached schools of research. He brings together elements of institutional reform and the agenda of state elites, social class agency, the fluid dynamics of collective national and regional (or local identities, changing political norms and cultural values, and the role of several key individuals such as the head of state and the prime minister. Such a holistic approach is a rather un-Belgian one, unfortunately. Perhaps this partly explains why the book – although universally well-received – caused debate among some Belgian historians, for example in a debate session on 6thSeptember 2012 at the Brussels based CEGESOMA, where ten Belgian historians and two non-Belgian specialists (Peter Romijn from NIOD and Robert Gerwarth from University College Dublin, who had previously worked with Conway on these issues discussed the book with the author. Some Belgian specialists encountered problems accepting the label ‘conservative’ used by Conway to define Belgian society in 1945-1947, or to understand why he consciously leaves out the post-war purges (the so-called ‘repression’ in Belgium, or accepting that Conway uses 1947 as a terminus instead of 1950-1951 (the formal end of the Belgian Royal Question. This last point loomed over the debate

  15. Mol-ecular and crystal structure of gossypol tetra-methyl ether with an unknown solvate.

    Science.gov (United States)

    Honkeldieva, Muhabbat; Talipov, Samat; Mardanov, Rustam; Ibragimov, Bakhtiyar

    2015-02-01

    The title compound, C34H38O8 (systematic name: 5,5'-diisopropyl-2,2',3,3'-tetra-meth-oxy-7,7'-dimethyl-2H,2'H-8,8'-bi-[naphtho-[1,8-bc]furan]-4,4'-diol), has been obtained from a gossypol solution in a mixture of dimethyl sulfate and methanol. The mol-ecule is situated on a twofold rotation axis, so the asymmetric unit contains one half-mol-ecule. In the mol-ecule, the hy-droxy groups are involved in intra-molecular O-H⋯O hydrogen bonds, and the two naphthyl fragments are inclined each to other by 83.8 (1)°. In the crystal, weak C-H⋯O and C-H⋯π inter-actions consolidate the packing, which exhibits channels with an approximate diameter of 6 Å extending along the c-axis direction. These channels are filled with highly disordered solvent mol-ecules, so their estimated scattering contribution was subtracted from the observed diffraction data using the SQUEEZE option in PLATON [Spek, A. L. (2015). Acta Cryst. C71, 9-18].

  16. 12 CFR 5.4 - Filing required.

    Science.gov (United States)

    2010-01-01

    ... CORPORATE ACTIVITIES Rules of General Applicability § 5.4 Filing required. (a) Filing. A depository institution shall file an application or notice with the OCC to engage in corporate activities and... advise an applicant through a pre-filing communication to send the filing or submission directly to...

  17. Isolation by language and distance in Belgium.

    Science.gov (United States)

    Barrai, I; Rodriguez-Larralde, A; Manni, F; Ruggiero, V; Tartari, D; Scapoli, C

    2004-01-01

    The isonymy structure of trilingual Belgium was studied using the surname distributions for 1,118,004 private telephone users. The users were distributed in 77 Flemish, 76 French, and 3 German speaking towns, selected on a geographic basis to form an approximately regular grid over Belgium. Lasker's distance was found to be considerably higher between languages than within languages. For the whole of Belgium, irrespective of language, it was highly correlated with linear geographic distance, with r = 0.721+/-0.014, which is the highest correlation observed in European countries to date. Within Belgium and within languages, the correlation was highest among the Flemish (r = 0.878 +/- 0.007), and lowest among the French (r = 0.631+/-0.020). Isolation by distance in Belgium is the highest we have found in Europe, and as high as in Switzerland where the different languages are separated by geographical barriers. This is not the case in Belgium, so that the considerable isolating power of languages emerges clearly from the present analysis. From the comparison of Lasker's distance between (9.48) and within (8.16) languages, and from its regression over geographic distance (b = 0.01206), it was possible to establish a quantitative relationship between the isolating power of languages and that of geographic distance as (9.48-8.16)/0.01206 = 109 kilometres. This transformation of language distance into an equivalent geographic distance, given here for Belgium, can be applied to any similar geo-linguistic situation.

  18. Performance of FACSPresto Point-of-Care Instrument for CD4-T Cell Enumeration in Human Immunodeficiency Virus (HIV)-Infected Patients Attending Care and Treatment Clinics in Belgium and Tanzania

    Science.gov (United States)

    Daneau, Géraldine; Aboud, Said; Prat, Irena; Urassa, Willy; Kestens, Luc

    2017-01-01

    Background CD4 T-cell counts are widely used to assess treatment eligibility and to follow-up HIV-infected patients. The World Health Organization prequalification of in vitro diagnostics program conducted a performance evaluation of the FACSPresto (BD Biosciences), a new point-of-care instrument to measure absolute CD4-T cell (CD4) counts and percentages in venous and capillary blood samples from HIV-infected patients. Methods Patients were recruited in Belgium (200 patients) and in Tanzania (247 patients). Venous blood samples were analyzed in two nearby reference laboratories. In addition, nurses/technicians collected a capillary blood sample by finger prick directly into a FACSPresto CD4 cartridge. Assay precision was assessed on fresh blood and on external quality control samples. Trueness (bias) was assessed by comparing results from FACSPresto with the reference (single-platform FACSCalibur). Clinical misclassification was measured at 200, 350 and 500 cells/μL thresholds. Results Intra-assay precision was < 6%, and inter-assay < 8%. CD4 results from FACSPresto and reference method resulted in regression slopes of 0.99–1.11 using either venous or capillary blood. Correlation was better for venous than for capillary blood (minimum 0.97 vs 0.93 respectively). Capillary blood resulted in a larger bias than venous blood, with 24 and 83 cells/μL for absolute CD4 counts on capillary blood in Antwerp and Dar es Salaam respectively, vs 12 and 41 cells/μL on venous blood. Bias on CD4% was < 1% on both venous and capillary blood, and was proportionally better than for absolute CD4 counts. Clinical misclassification was in line with the average overestimation, showing a very good specificity, but sensitivity around 70–90%. The rejection rate was 11% on first reading, leading to 6% of all samples without final result after a second reading. Conclusions The FACSPresto performed very well on venous blood samples, and well on capillary blood samples. PMID:28129324

  19. The occurrence and genetic characterization of Cryptosporidium and Giardia species in foals in Belgium, The Netherlands, Germany and Greece.

    Science.gov (United States)

    Kostopoulou, D; Casaert, S; Tzanidakis, N; van Doorn, D; Demeler, J; von Samson-Himmelstjerna, G; Saratsis, A; Voutzourakis, N; Ehsan, A; Doornaert, T; Looijen, M; De Wilde, N; Sotiraki, S; Claerebout, E; Geurden, T

    2015-07-30

    Faecal samples were collected from foals between the age of 1 week and 6 months in Belgium, The Netherlands, Germany and Greece. A quantitative direct immunofluorescence assay based on the commercial MERIFLUOR Cryptosporidium/Giardia kit was performed to evaluate the presence of (oo) cysts. Parasite positive samples were genotyped, based on the 18S ribosomal DNA gene and the heat shock protein (HSP70) gene for Cryptosporidium and on the β-giardin gene and the triose phosphate isomerase (TPI) gene for Giardia. In total, 134 foals from Belgium, 44 foals from The Netherlands, 30 foals from Germany and 190 foals from Greece were examined. No Cryptosporidium oocysts were identified in faecal samples from foals in Germany and The Netherlands. In Belgium and Greece, 4.5% and 1.1% of the foals examined were Cryptosporidium positive, respectively, all with a low oocyst excretion ranging from 100 to 2450 oocysts per gram of faeces. For Giardia, 14.2%, 11.4%, 10.0% and 11.6% of the foals in Belgium, The Netherlands, Germany and Greece, respectively, were found to excrete cysts, with a range of 50 up to 4,000,000 cysts per gram of faeces. Younger animals secreted significantly more Giardia cysts than older horses (pGiardia infection and diarrhoea was observed. Most Giardia positive samples belonged to assemblage AI and/or BIV, but also assemblage E was detected in two samples. Together with the identification of Cryptosporidium horse genotype, this suggests only a low risk for zoonotic transmission.

  20. Studies into the Stability of 3-O-Glycosylated and 3,5-O-Diglycosylated Anthocyanins in Differently Purified Liquid and Dried Maqui (Aristotelia chilensis (Mol.) Stuntz) Preparations during Storage and Thermal Treatment.

    Science.gov (United States)

    Brauch, Johanna E; Kroner, Mareike; Schweiggert, Ralf M; Carle, Reinhold

    2015-10-07

    Anthocyanin stabilities in diluted and differently purified maqui preparations were assessed during storage and thermal treatment at different pH values. By sequentially depleting the matrix, the influence of polar low-molecular-weight matrix constituents and non-anthocyanin phenolics was shown to be negligible. In contrast, pH substantially affected thermal stabilities of differently glycosylated cyanidin and delphinidin derivatives. At pH 3.6, half-lives of 3-O-glycosides were substantially shorter than those of respective 3,5-O-diglycosides. However, at pH 2.2, an inverse stability behavior was observed. Findings were corroborated using isolated pigments. Upon heating, cyanidin derivatives were more stable than their respective delphinidins, but their stability was similar during storage. Anthocyanins in liquid samples were more stable when stored at 4 °C as compared to 20 °C, whereas those in dried powders revealed maximum stability throughout storage. The study contains a detailed discussion and mechanistic hypothesis for the above-mentioned findings, providing insights relevant for food applications of maqui anthocyanins.

  1. Chimie des interactions moléculaires

    OpenAIRE

    Lehn, Jean-Marie

    2010-01-01

    Le cours de l’année 2008-2009 a porté sur « Autoorganisation et dynamique moléculaires ». Des cours ont été donnés à l’Université de Strasbourg (3 h), à l’Université Charles de Prague (3 h) et à la City University de Hong Kong (3 h). Cours au Collège de France : Autoorganisation et dynamique moléculaires Introduction Le cours a porté sur l’évolution de la chimie supramoléculaire vers la chimie dynamique constitutionnelle (CDC) et la chimie adaptative. Du fait de la labilité des interactions n...

  2. Ethyl 2-amino-4-(3-chloro-phen-yl)-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromene-3-carboxyl-ate.

    Science.gov (United States)

    Hu, Xiao; Lei, Song; Yao, Chang-Sheng

    2009-05-20

    The title mol-ecule, C(22)H(16)ClNO(5), was obtained by the reaction of (E)-ethyl 3-(3-chloro-phen-yl)-2-cyano-acrylate and 2-hydroxy-naphthalene-1,4-dione catalysed by triethylamine in ethanol. In the crystal structure, the chlorobenzene ring makes a dihedral angle of 88.63 (4)° with the fused ring system. The six-membered ring formed by an intra-molecular N-H⋯O hydrogen bond is almost planar. The crystal packing is stabilized by N-H⋯O hydrogen bonds.

  3. N-[4-Acetyl-5-methyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.

    Science.gov (United States)

    Tebaa, Mohamed; Mazoir, Noureddine; Maya, Celia M; Nouzha, Bouhmaida; Benharref, Ahmed; Berraho, Moha

    2009-01-10

    The title heterocyclic compound, C(17)H(23)N(3)O(2)S, was synthesized from 4-(4-methyl-cyclo-hex-3-en-yl)pent-3-en-2-one, which was isolated from Cedrus atlantica essential oil. The thia-diazole ring adopts a flattened envelope conformation, with the flap sp(3)-hybridized C atom lying 0.259 (1) Å out of the plane of the other four atoms. The screw-related mol-ecules are linked into chains along the b axis by inter-molecular N-H⋯O hydrogen bonds.

  4. .NET 4.5 parallel extensions

    CERN Document Server

    Freeman, Bryan

    2013-01-01

    This book contains practical recipes on everything you will need to create task-based parallel programs using C#, .NET 4.5, and Visual Studio. The book is packed with illustrated code examples to create scalable programs.This book is intended to help experienced C# developers write applications that leverage the power of modern multicore processors. It provides the necessary knowledge for an experienced C# developer to work with .NET parallelism APIs. Previous experience of writing multithreaded applications is not necessary.

  5. Extensive theoretical studies on two new members of the FOX-7 family: 5-(dinitromethylene)-1,4-dinitramino-tetrazole and 1,1'-dinitro-4,4'-diamino-5,5'-bitetrazole as energetic compounds.

    Science.gov (United States)

    He, Piao; Zhang, Jian-Guo; Wang, Kun; Yin, Xin; Jin, Xin; Zhang, Tong-Lai

    2015-02-28

    Two novel compounds 5-(dinitromethylene)-1,4-dinitramino-tetrazole (DNAT) and 1,1'-dinitro-4,4'-diamino-5,5'-bitetrazole (DNABT) were suggested to be potential candidates of high energy density materials (HEDMs). The optimized geometry, NBO charges and electronic density, HOMO-LUMO, electrostatic potential on the surface of molecules, the IR spectrum and thermochemical parameters were calculated for inspecting the electronic structure properties at B3LYP/6-311++G** level of theory. Meanwhile, the solid states of DNAT and DNABT were studied using the crystal packing models by the plane-wave periodic local-density approximation density functional theory. Four stable polymorphous cells have been found including P212121, P21/c, P1̄ and Pbca, assigned to the orthorhombic, monoclinic and triclinic lattice systems. In addition, properties such as density, enthalpy of formation and detonation performance have also been predicted. As a result, the detonation velocity and pressure of two compounds are found to be very remarkable (DNAT: D = 9.17 km s(-1), P = 39.23 GPa; DNABT: D = 9.53 km s(-1), P = 40.92 GPa). Considering the tetrazole rings with energetic groups and the insensitive fragment of FOX-7, high positive heat of formation (583.50 kJ mol(-1) and 1081.39 kJ mol(-1)) and eminent performance render DNAT and DNABT to be very promising powerful energetically insensitive compounds. This work provides theoretical support for further experimental synthesis.

  6. Tensile properties of V-(4-5)Cr-(4-5)Ti alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Nowicki, L.; Busch, D.; Smith, D.L. [Argonne National Laboratory, Chicago, IL (United States)

    1996-04-01

    The current focus of the U.S program of research on V-base alloys is on V-(4-5)Cr(4-5)Ti that contains 500-1000 wppm Si. in this paper, we present experimental results on baseline tensile properties of two laboratory-scale heats of this alloy and of a 500-kg production heat of V-4Cr-4Ti (heat 832665) that were measured at 23-700 C. Both the production- and laboratory scale heats of the reference alloy V-4Cr-4Ti exhibited excellent tensile properties at temperatures up to {approx}650{degrees}C.

  7. Cryptosporidium and Giardia in recreational water in Belgium.

    Science.gov (United States)

    Ehsan, Md Amimul; Casaert, Stijn; Levecke, Bruno; Van Rooy, Liesbet; Pelicaen, Joachim; Smis, Anne; De Backer, Joke; Vervaeke, Bart; De Smedt, Sandra; Schoonbaert, Filip; Lammens, Saskia; Warmoes, Thierry; Geurden, Thomas; Claerebout, Edwin

    2015-09-01

    The objective of this study was to investigate the presence of Cryptosporidium and Giardia in different recreational water bodies in Belgium and to estimate the infection risk associated with swimming and other recreational activities. Cryptosporidium oocysts and/or Giardia cysts were detected in three out of 37 swimming pools, seven out of 10 recreational lakes, two out of seven splash parks and four out of 16 water fountains. In the swimming pools no infection risk for Cryptosporidium could be calculated, since oocysts were only detected in filter backwash water. The risk of Giardia infection in the swimming pools varied from 1.13×10(-6) to 2.49×10(-6) per swim per person. In recreational lakes, the infection risk varied from 2.79×10(-5) to 5.74×10(-5) per swim per person for Cryptosporidium and from 7.04×10(-5) to 1.46×10(-4) for Giardia. For other outdoor water recreation activities the estimated infection risk was 5.71×10(-6) for Cryptosporidium and 1.47×10(-5) for Giardia. However, most positive samples in the recreational lakes belonged to species/genotypes that are either animal-specific or predominantly found in animals. No Cryptosporidium was found in splash parks and water fountains, but the presence of Giardia cysts suggests a risk for human infection. The infection risk of Giardia infection during a 3.5-minute visit to a splash park for children equalled 1.68×10(-4).

  8. Agricultural marketing in Belgium and The Netherlands

    OpenAIRE

    M.T.G. Meulenberg; Viaene, J.

    1993-01-01

    Agriculture in Belgium and the Netherlands has a strong export tradition and has been market oriented for a long time. In this article agricultural markeling in Belgium and the Netherlands is analyzed on the basis of the concepts structure, conduct and performance. In our review of market structure attention is paid to the structure of agriculture, the food consumer, food retailing, government policies, competition and marketing channels. Afterwards market conduct with respect to product, pri...

  9. 3-(4-Fluorobenzylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione

    Directory of Open Access Journals (Sweden)

    Wu-Lan Zeng

    2011-02-01

    Full Text Available In the title molecule, C16H15FO4, the fused 1,3-dioxane and cyclohexane rings exhibit a bath and a chair conformation, respectively. In the crystal, weak intermolecular C—H...O hydrogen bonds link the molecules into centrosymmetric dimers.

  10. Indium Trichloride-Mediated Facile Synthesis of 3-(Substituted methylthio)-4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole in Water

    Institute of Scientific and Technical Information of China (English)

    YANG Song; LIU,Jie; SONG,Bao-An; JIN,Lin-Hong; HU,De-Yu

    2006-01-01

    An environmentally benign and efficient process for the preparation of 3-(substituted methylthio)-4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole was achieved by the reaction of 4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol with different halides in aqueous media mediated by indium trichloride in high yields.

  11. An improved high-power battery with increased thermal operating range: C-LiFePO4//C-Li4Ti5O12

    Science.gov (United States)

    Zaghib, K.; Dontigny, M.; Guerfi, A.; Trottier, J.; Hamel-Paquet, J.; Gariepy, V.; Galoutov, K.; Hovington, P.; Mauger, A.; Groult, H.; Julien, C. M.

    2012-10-01

    The carbon-coated LiFePO4 and C-Li4Ti5O12 particles of 90 nm in diameter have been tested as active elements of electrodes of Li-ion batteries. The 18650-size cell using the usual electrolyte 1 mol L-1 LiPF6 in ethylene carbonate (EC) and diethylene carbonate (DEC) displays a charge capacity of 650 mAh at low C-rate and retains more than 80% of rated capacity at 60C charge rate (1 min). 2032-size coin cells have been tested with different electrolytes: 1.5 mol L-1 lithium tetrafluoroborate LiBF4 in EC+ γ-butyrolactone (GBL), and 0.5 mol L-1 lithium bis(trifluoromethanesulfonyl)imide (LiN(CF3SO2)2, LiTFSI) + 1 mol L-1 LiBF4 in EC + GBL, aiming to replace the less stable LiPF6 salt. The LiTFSI-based electrolyte can be used owing to the low operating voltage that avoids the corrosion of the aluminum of the collector. This electrolyte shows the best results as the performance is even higher at 60 °C. The infrared images show that the temperature of the cell never reaches this temperature during cycling, making this battery a high-power battery with remarkable thermal stability. The maximum temperature reached by the cell is 34 °C at 40C-rate and 40 °C at 60C. The free EC-based electrolytes even operate at 80 °C by using 1 mol L-1 lithium bis(fluorosulfonyl)imide (LiFSI) in GBL or 1 mol L-1 LiFSI in PC + GBL, thus increasing importantly the operating temperature range for the battery. The carbon coated on LTO depresses the evolution of gases during charge discharge.

  12. 1st AtMol European Workshop

    CERN Document Server

    Atomic Scale Interconnection Machines

    2012-01-01

    This volume documents the first International Workshop on Atomic Scale Interconnection Machines organised by the European Integrated Project AtMol in June 2011 in Singapore. The four sessions, discussed here in revised contributions by high level speakers, span topics such as: multi-probe UHV instrumentation, atomic scale nano-material nanowires characterization, atomic scale surface conductance measurements and surface atomic scale mechanical machineries. This state-of-the-art account allows academic researchers and industry engineers access to the tools they need to be at the forefront of the atomic scale technology revolution.

  13. Synthesis and characterization of new 3-(4,5-dihydro-5-arylisoxazol-3-yl-4-hydroxyquinolin-2(1H-ones and 3-(4-styrylisoxazolo[4,5-c]quinolin-4(5H-one derivatives

    Directory of Open Access Journals (Sweden)

    S. Sarveswari

    2016-09-01

    Full Text Available The 4-hydroxy-3-(3-arylacryloylquinolin-2(1H-ones were synthesized from 3-acetyl-4-hydroxyquinolin-2(1H-one by microwave assisted synthesis, which in turn converted into their corresponding 3-(4,5-dihydro-5-arylisoxazol-3-yl-4-hydroxyquinolin-2(1H-ones and 3-(4-styrylisoxazolo[4,5-c]quinolin-4(5H-one derivatives.

  14. Absorption Spectra and Ionic Conductivity of RbxCs1-xAg4I5 Superionic Conductors Thin Films

    Institute of Scientific and Technical Information of China (English)

    CAO Yang; SUN Jia-Lin; ZHANG Guo-Sheng; GUO Ji-Hua; WANG Zheng-Ping

    2005-01-01

    @@ A series of RbxCs1-xAg4I5 (x = 0-1) thin films were grown by vacuum evaporation on NaCl crystal substratesat 350K. The absorption spectra of these films were measured at 80 K in the wavelength range from 240nm to 400nm. It is shown that superionic conductor thin films of quaternary compound Rb0.5Cs0.5Ag4I5 and ternarycompound RbAg4I5 can be obtained at x = 0.5-0.6 and x = 0.7-1, respectively. At x = 0.65, the combinedcompound film of the mixture of 30mol% RbAg4I5 and 70mol% Rb0.5Cs0.5Ag4I5 is presented. Then, based on the spectral positions of the A1 and A2 peaks, we determined that the Rb0.5Cs0.5Ag4I5 exciton coupling energy Rex is 0.21 eV, the forbidden zone width Eg is 3.82eV and the exciton radius aex is 0.70nm. Furthermore, the ionic conductivities of superionic conductor thin films of RbAg4I5 and Rb0.5Cso.5Ag4I5 and their mixture film are investigated, respectively, in the temperature range 303 K-393 K.

  15. Belgian citizens' and broiler producers' perceptions of broiler chicken welfare in Belgium versus Brazil.

    Science.gov (United States)

    Vanhonacker, F; Tuyttens, F A M; Verbeke, Wim

    2016-07-01

    New EU regulations require more stringent country-of-origin labeling, while imports of broiler meat from non-EU countries are increasing. In light of these trends, we have studied citizens' and producers' perceptions of broiler meat originating from Belgium versus Brazil and their perception of broiler production in Belgium versus Brazil. A particular focus was the association between country of origin and perceived level of animal welfare. We also investigated the perception of scaling-up and outdoor access in terms of perceived level of animal welfare. Cross-sectional survey data was collected among Flemish citizens (n = 541) and broiler producers (n = 114). In accordance with literature on general farm animal welfare, both stakeholder types claimed to allocate great importance to broiler welfare and generally agreed with the Welfare Quality model of broiler welfare. Citizens disagreed with the producers that 1) consumers are not willing to pay more for higher welfare products, 2) that broilers suffer little, 3) that broiler welfare in current Belgian production units is generally non-problematic, 4) that scaling-up production units would not have a positive impact on profitability nor a profoundly negative impact on broiler welfare, and 5) that the impact of providing broilers with outdoor access is negative for consumers, farmers, and broilers. Country of origin had a strong influence on the perception of both broiler production and broiler meat. Belgian citizens, and producers (much more than citizens) considered nearly all aspects related to broiler production and broiler meat to be significantly superior for chicken produced in Belgium compared to Brazil. Further research should focus on how these perceptions influence purchase intentions and production decisions. Future avenues for research are to quantify market opportunities for country-of-origin labeling and to investigate to which extent stakeholders' perceptions correspond with reality.

  16. 4-(4-Chlorophenyl-5-(4-nitrophenyl-3-phenyl-4H-1,2,4-triazole

    Directory of Open Access Journals (Sweden)

    Jing Hu

    2008-01-01

    Full Text Available The title compound, C20H13ClN4O2, was synthesized by the condensation of 4-nitrobenzohydrazide and N-(4-chlorophenylbenzimidoyl chloride in N,N-dimethylacetamide. The asymmetric unit contains two independent molecules. In one molecule, the triazole ring is oriented at dihedral angles of 23.1 (5, 85.4 (1 and 10.5 (1° with respect to the phenyl, chlorophenyl and nitrophenyl rings, respectively. In the other molecule, the corresponding dihedral angles are 29.8 (9, 73.4 (7 and 16.4 (3°.

  17. Ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

    Science.gov (United States)

    Nayak, Susanta K; Venugopala, K N; Govender, Thavendran; Kruger, Hendrik G; Maguire, Glenn E M; Row, Tayur N Guru

    2011-11-01

    In the title compound, C(15)H(16)N(2)O(4)S, the dihedral angles between the planes of the benzodioxole and ester groups and the plane of the six-membered tetra-hydro-pyrimidine ring are 89.5 (1) and 20.2 (1)°, respectively. Inter-molecular N-H⋯S hydrogen bonds assemble the mol-ecules into dimers, which are further connected via N-H⋯O inter-actions into chains parallel to [010]. Weak C-H⋯S and C-H⋯π inter-actions enhance the stability of the crystal structure.

  18. Bis(pentane-2,4-dionato)bis­[2-(4-pyrid­yl)-4,4,5,5-tetra­methyl­imidazoline-1-oxyl 3-oxide]nickel(II)

    Science.gov (United States)

    Hao, Lujiang; Mu, Chunhua; Kong, Binbin

    2008-01-01

    In the title compound, [Ni(C5H7O2)2(C12H16N3O2)], the NiII cation is hexa­coordinated by four O and two N atoms, showing a slightly distorted octa­hedral geometry. The NiII cation lies on an inversion centre, as a consequence of which the asymmetric unit comprises one half-mol­ecule. The four O atoms belonging to two pentane-2,4-dionate ligands lie in the equatorial plane and two pyridyl N atoms occupy the axial coordination sites. PMID:21202806

  19. Burden of serious fungal infections in Belgium.

    Science.gov (United States)

    Lagrou, Katrien; Maertens, Johan; Van Even, Ellen; Denning, David W

    2015-10-01

    We aimed to estimate the total number of serious fungal infections occurring yearly in Belgium. The number of cryptococcal infections was retrieved from the National Reference Center for Mycosis. Populations at risk and fungal infections frequencies in these populations were used to estimate incidence or prevalence of other fungal infections. The Belgian population consists of 11.10 million people. Cryptococcal meningitis is rare. In all, 15 of the 1227 newly diagnosed HIV/AIDS cases presented with Pneumocystis jirovecii pneumonia. This accounts for ±14% of total PCP cases (n = 120). The incidence of candidaemia is estimated as 5/100,000 resulting in 555 cases and 213 deaths. A total number of 675 invasive aspergillosis cases and ≥169 deaths attributed to this infection were calculated. Chronic pulmonary aspergillosis is estimated to be prevalent in 662 cases. Allergic bronchopulmonary aspergillosis cases were estimated to be 23,119 applying a 2.5% and 15% rate in adult asthma and cystic fibrosis patients respectively. Severe asthma with fungal sensitisation cases was estimated to be 30,402. There were 174,760 women with recurrent Candida vaginitis assuming a 6% rate in women aged between 15 and 50. Approximately 233,000 people of the Belgian population (2.1%) are estimated to suffer from a fungal infection on a yearly basis.

  20. 2,4-Dichloro-N-(2,5-dimethyl-phen-yl)benzene-sulfonamide.

    Science.gov (United States)

    Rodrigues, Vinola Z; Foro, Sabine; Gowda, B Thimme

    2011-10-01

    The asymmetric unit of the title compound, C(14)H(13)Cl(2)NO(2)S, contains three independent moleules. The torsion angles of the C-SO2-NH-C segments in the three mol-ecules are 67.5 (2), 83.4 (2) and -77.5 (2)°. The two aromatic rings are tilted relative to each other by 68.8 (1), 64.1 (1) and 68.5 (1)°. The crystal structure features dimers linked by pairs of N-H⋯O hydrogen bonds.

  1. Development of a standard reference material containing 22 chlorinated hydrocarbon gases at 1 μmol/mol in nitrogen.

    Science.gov (United States)

    Li, Ning; Du, Jian; Yang, Jing; Fan, Qiang; Tian, Wen

    2017-09-08

    A gas standard mixture containing 22 chlorinated hydrocarbons in high purity nitrogen was prepared using a two-step weighing method and a gasifying apparatus developed in-house. The concentration of each component was determined using a gas chromatograph with flame ionization detection (GC/FID). Linear regression analysis of every component was performed using the gas standard mixture with concentrations ranging from 1 to 10 μmol/mol, showing the complete gasification of volatile organic compound (VOCs) species in a selected cylinder. Repeatability was also examined to ensure the reliability of the preparation method. In addition, no significant difference was observed between domestic treated and imported treated cylinders, which were conducive to reduction of the cost of raw materials. Moreover, the results of stability testing at different pressures and long-term stability tests indicated that the gas standard at 1 μmol/mol level with relative expanded uncertainties of 5% was stable above 2 MPa for a minimum of 12 months. Finally, a quantity comparison was conducted between the gas standard and a commercial gas standard from Scott Specialty Gases (now Air Liquide America Specialty Gases). The excellent agreement of every species suggested the favorable accuracy of our gas standard. Therefore, this reference material can be applied to routine observation of VOCs and for other purposes.

  2. La esfera, el mol y la ciudad

    Directory of Open Access Journals (Sweden)

    Hernán Neira

    2010-06-01

    Full Text Available Apoyándonos en la noción de "esfera" de Slotedijk, analizamos la protección constituida por los moles. La libertad de elegir en el mol no tiene relación con la libertad individual propuesta por John Stuart Mill; ni con la anarco-individualista propuesta por Henry David Thoreau o incluso por Aldo Leopold en el elogio que éste realiza de la autonomía del pionero estadounidense. En la libertad de elegir en el mol han caducado todas las aventuras y las relaciones humanas se convierten en lo que Sloterdijk denomina "relaciones cristalizadas", bajo el proyecto del aburrimiento normativo poshistórico. La expresión económico-filosófica del mundo poshistórico es la idea de libertad de elegir, enunciada por Milton Friedman. El mol, actual Palacio de Cristal, es como una enciclopedia ilustrada, que exhibe, en orden y sin peligros, el conjunto, ya no del saber, sino de los bienes disponibles. Con ello, se modifica la condición humana.Based on the Sloterdijk's concept of sphere, we analyse the protection provided by the malls. Nevertheless, the freedom of choosing in a mall does not have any relation to liberty as it was proposed by John Stuart Mill, neither to the anarcho-individualist one proposed by Henry David Thoreau, nor even to that one proposed by Aldo Leopold, when he praises the authonomy of American pioneer. In the freedom process of choosing in the mall, all adventures perish and human relations become what Sloterdijk denominated "crystalised relations", under a post-historic normative boring project. The economic-philosophical expression of post-historic world is the idea of freedom of choosing, conceived by Milton Friedman. The mall, the current Crystal Palace, is like an enlightened encyclopaedia, which shows, in order and without dangers, the totality, no longer of knowledge, but of available goods. In this way, human condition has modified.

  3. The foundation for climate services in Belgium: CORDEX.be

    Science.gov (United States)

    Van Schaeybroeck, Bert; Termonia, Piet; De Ridder, Koen; Fettweis, Xavier; Gobin, Anne; Luyten, Patrick; Marbaix, Philippe; Pottiaux, Eric; Stavrakou, Trissevgeni; Van Lipzig, Nicole; van Ypersele, Jean-Pascal; Willems, Patrick

    2017-04-01

    According to the Global Framework for Climate Services (GFCS) there are four pillars required to build climate services. As the first step towards the realization of a climate center in Belgium, the national project CORDEX.be focused on one pillar: research modelling and projection. By bringing together the Belgian climate and impact modeling research of nine groups a data-driven capacity development and community building in Belgium based on interactions with users. The project is based on the international CORDEX ("COordinated Regional Climate Downscaling Experiment") project where ".be" indicates it will go beyond for Belgium. Our national effort links to the regional climate initiatives through the contribution of multiple high-resolution climate simulations over Europe following the EURO-CORDEX guidelines. Additionally the same climate simulations were repeated at convection-permitting resolutions over Belgium (3 to 5 km). These were used to drive different local impact models to investigate the impact of climate change on urban effects, storm surges and waves, crop production and changes in emissions from vegetation. Akin to international frameworks such as CMIP and CORDEX a multi-model approach is adopted allowing for uncertainty estimation, a crucial aspect of climate projections for policy-making purposes. However, due to the lack of a large set of high resolution model runs, a combination of all available climate information is supplemented with the statistical downscaling approach. The organization of the project, together with its main results will be outlined. The proposed coordination framework could serve as a demonstration case for regions or countries where the climate-research capacity is present but a structure is required to assemble it coherently. Based on interactions and feedback with stakeholders different applications are planned, demonstrating the use of the climate data.

  4. 3-(4-Amino-1,2,5-oxadiazol-3-yl-4-(4-nitro-1,2,5-oxadiazol-3-yl-1,2,5-oxadiazole

    Directory of Open Access Journals (Sweden)

    Philip Pagoria

    2014-05-01

    Full Text Available The title compound 3-(4-amino-1,2,5-oxadiazol-3-yl-4-(4-nitro-1,2,5-oxadiazol-3-yl-1,2,5-oxadiazole (ANFF-1 was synthesized by: (1 by reaction of 3,4-bis(4-nitro-1,2,5-oxadiazol-3-yl-1,2,5-oxadiazole (BNFF-1 with gaseous ammonia in toluene and (2 by partial oxidation of 3,4-bis(4-amino-1,2,5-oxadiazol-3-yl-1,2,5-oxadiazole (BAFF-1 with 35% H2O2 in concentrated H2SO4.

  5. Biological restoration: A 4/5 crown

    Directory of Open Access Journals (Sweden)

    Monize Ferreira Figueiredo de Carvalho

    2013-01-01

    Full Text Available Dental caries is one of the most prevalent conditions in humans; the purpose of restorative dentistry is to recreate the anatomy of the affected tooth thus the use of fragments from natural teeth as an effective restorative method. A maxillary first premolar left was prepared for an inverted 4/5 crown due to involvement of the vestibular face, after prepared received an allogeneic collage with similar color and dimension. Follow-up after 12 months indicated a stable restoration. Clinically, the site was without signs of caries, migration of the fragment or marginal infiltration. Biological restoration is a viable alternative for reestablishing function and esthetics to damaged/decayed teeth and therefore, biological restoration as an alternative to other restorative options.

  6. Springer Publishing Booth | 4-5 October

    CERN Multimedia

    2016-01-01

    In the spirit of continuation of the CERN Book Fairs of the past years, Springer Nature will be present with a book and journal booth on October 4th and 5th, located as usual in the foyer of the Main Building. Some of the latest titles in particle physics and related fields will be on sale.   You are cordially invited to come to the booth to meet Heike Klingebiel (Licensing Manager / Library Sales), Hisako Niko (Publishing Editor) and Christian Caron (Publishing Editor). In particular, information about the new Nano database – nanomaterial and device profiles from high-impact journals and patents, manually abstracted, curated and updated by nanotechnology experts – will be available. The database is accessible here: http://nano.nature.com/. 

  7. Isothermal sections of the quasi-ternary systems Ag2S(Se)-Ga2S(Se)3-In2S(Se)3 at 820 K and the physical properties of the ternary phases Ga5.5In4.5S15, Ga6In4Se15 and Ga5.5In4.5S15:Er3+, Ga6In4Se15:Er3+

    Science.gov (United States)

    Ivashchenko, I. A.; Danyliuk, I. V.; Gulay, L. D.; Halyan, V. V.; Olekseyuk, I. D.

    2016-05-01

    Isothermal sections of the quasi-ternary systems Ag2S(Se)-Ga2S(Se)3-In2S(Se)3 at 820 K were compared. Along the 50 mol% Ag2S(Se), both systems feature continuous solid solutions with the chalcopyrite structure. Along the 17 mol% Ag2S(Se), the interactions at the AgIn5S(Se)8-"AgGa5S(Se)8" sections are different. In the Ag2S-Ga2S3-In2S3 system the existence of the layered phase AgGaxIn5-xS8, 2.25≤x≤2.85, was confirmed (S.G. P63mc). The Ag2Se-Ga2Se3-In2Se3 system features the formation of solid solution (up to 53 mol% Ga2Se3) based on AgIn5Se8 (S.G. P-42m). Crystal structure, atomic coordinates were determined by powder diffraction method for samples from the homogeneity region of AgIn5Se8. Specific conductivities of the crystals Ga6In4Se15 (1.33·10-6 Ω-1 m-1), Ga5.94In3.96Er0.1Se15 (3.17·10-6 Ω-1 m-1), Ga5.5In4.5S15 (7.94·10-6 Ω-1 m-1), Ga5.46In4.47Er0.07S15 (1·10-9 Ω-1 m-1) were measured at room temperature. Optical absorption and photoconductivity spectra were recorded in the range 400-760 nm. The introduction of erbium leads to an increase in the absorption coefficient and to the appearance of absorption bands at 530, 660, 810, 980, 1530 nm.

  8. Buffer Standards for pH Measurement of N-(2-Hydroxyethyl)piperazine-N’-2-ethanesulfonic Acid (HEPES) for I = 0.16 mol·kg−1 from 5 to 55°C

    OpenAIRE

    Roy, Rabindra N.; Roy, Lakshmi N.; Ashkenazi, Shahaf; Wollen, Joshua T.; Dunseth, Craig D.; Fuge, Michael S.; Durden, Jared L.; Roy, Chandra N.; Hughes, Hannah M.; Morris, Brett T.; Cline, Kevin L.

    2009-01-01

    The values of the second dissociation constant, pK2 of N-(2-hydroxyethyl) piperazine-N’-2-ethanesulfonic acid (HEPES) have been reported at 12 temperatures over the temperature range 5 to 55°C, including 37°C. This paper reports the results for the paH of eight isotonic saline buffer solutions with an I = 0.16 mol•kg−1 including compositions: (a) HEPES (0.01 mol•kg−1) + NaHEPES (0.01 mol•kg−1) + NaCl (0.15 mol•kg−1); (b) HEPES (0.02 mol•kg−1) + NaHEPES (0.02 mol•kg−1) + NaCl (0.14 mol•kg−1); ...

  9. An exceptional 5:4 enantiomeric structure.

    Science.gov (United States)

    Wachter, Erin; Glazer, Edith C; Parkin, Sean; Brock, Carolyn Pratt

    2016-04-01

    The only crystals that could be grown from racemic solutions of the PF6(-) salt of the resolvable cation [Ru(2,9-dimethyl-1,10-phenanthroline)2(dipyrido[3,2-d:2',3'-f]quinoxaline)](2+) have translational symmetry only (space group P1), contain nine independent sets of ions, and include numerous independent solvent molecules (11 acetone, one diethyl ether and possibly several water molecules). Layers of hydrophobic cations alternate with layers containing most of the anions and solvent molecules. All nine cations have the same basic conformation, which is distorted by the presence of the methyl substituents on the two 1,10-phenanthroline ligands. Four pairs of enantiomeric cations within a layer are related by approximate inversion centers; the ninth cation, which shows no sign of disorder, makes the layer chiral. Within the cation layers stripes parallel to [110] of six cations alternate with stripes of three; the local symmetry and the cation orientations are different in the two stripes. These stripes are reflected in the organization of the anion/solvent layer. The ca 80:20 inversion twinning found indicates that enantiomeric preference is transmitted less perfectly across the anion/solvent layer than within the cation layer. The structure is exceptional in having nine independent formula units and an unbalanced set (ratio 4:5) of resolvable enantiomers. The difficulty in growing crystals of this material is consistent with its structural complexity.

  10. The Political Influence of Islam in Belgium

    Directory of Open Access Journals (Sweden)

    Sergio Castaño Riaño

    2014-03-01

    Full Text Available Belgium is one of the Western European countries in which Muslims have reached more relevance. The immigration process initiated in 1960s brought thousands of people from Turkey and from the Arab World to the major cities of the country. As consequence of their cultural and religious particularities Muslims were progressively claiming their own space in public life. Then, in the analysis of the Muslim political participation in Belgium two stages must be differentiated: The first one dominated by the delegates of the Arabs embassies; and the second one, when the Saudi influence decreased in 1990s giving rise to the emergence of other Islamic groups whose activities were totally involved with the real concerns of Muslims in Belgium. However, after several decades, the impact of the Islamic political activity is still low compared with the social presence of Muslims in the country.

  11. (2E)-1-(5-Chloro­thio­phen-2-yl)-3-(2,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one

    Science.gov (United States)

    Prabhu, A. N.; Jayarama, A.; Row, T. N. Guru; Upadhyaya, V.

    2011-01-01

    In the title mol­ecule, C16H15ClO4S, the chloro­thio­phene and trimeth­oxy­phenyl rings make a dihedral angle of 31.12 (5)°. The C=C double bond exhibits an E conformation. In the crystal, C—H⋯O inter­actions generate bifurcated bonds, linking the mol­ecules into chains along the b axis. PMID:22091106

  12. A Typology of Interprofessional Teamwork in Acute Geriatric Care: A Study in 55 units in Belgium.

    Science.gov (United States)

    Piers, Ruth D; Versluys, Karen J J; Devoghel, Johan; Lambrecht, Sophie; Vyt, André; Van Den Noortgate, Nele J

    2017-09-01

    To explore the quality of interprofessional teamwork in acute geriatric care and to build a model of team types. Cross-sectional multicenter study. Acute geriatric units in Belgium. Team members of different professional backgrounds. Perceptions of interprofessional teamwork among team members of 55 acute geriatric units in Belgium were measured using a survey covering collaborative practice and experience, managerial coaching and open team culture, shared reflection and decision-making, patient files facilitating teamwork, members' belief in the power of teamwork, and members' comfort in reporting incidents. Cluster analysis was used to determine types of interprofessional teamwork. Professions and clusters were compared using analysis of variance. The overall response rate was 60%. Of the 890 respondents, 71% were nursing professionals, 20% other allied health professionals, 5% physicians, and 4% logistic and administrative staff. More than 70% of respondents scored highly on interprofessional teamwork competencies, consultation, experiences, meetings, management, and results. Fewer than 55% scored highly on items about shared reflection and decision-making, reporting incidents from a colleague, and patient files facilitating interprofessional teamwork. Nurses in this study rated shared reflection and decision-making lower than physicians on the same acute geriatric units (P teamwork in acute geriatric units is satisfactory, but shared reflection and decision-making needs improvement. Four types of interprofessional teamwork are identified and can be used to benchmark the teamwork of individual teams. © 2017, Copyright the Authors Journal compilation © 2017, The American Geriatrics Society.

  13. (Mol. Stuntz por arrastre de vapor

    Directory of Open Access Journals (Sweden)

    Ximena Araneda

    2014-01-01

    Full Text Available El objetivo del presente estudio fue elaborar y evaluar jugo de maqui (Aristotelia chilensis(Mol. Stuntz, paraser considerado potencialmente como una bebida funcional de origen natural, sin aditivos químicos y mínimoprocesamiento, mediante la técnica de arrastre por vapor de tipo artesanal. Se utilizó fruto recolectado deforma manual en la Región de La Araucanía (Chile. Se elaboraron dos jugos concentrados, con azúcar y sinazúcar. Se realizaron análisis tales como: contenido de sólidos solubles, pH, acidez, contenido de humedad,materia seca (MS, cenizas totales, azúcares totales (AT, proteína cruda (PC, polifenoles totales (PFT ycarbohidratos totales (CHT, destacando el contenido de polifenoles para el jugo sin azúcar con 993,2 mg 100mL-1EAG y para el jugo con azúcar con 829,208 mg 100 mL-1EAG. Por lo tanto, la técnica permite extraerjugo de maqui con un mínimo procesamiento, presentando éste una alta concentración de polifenoles.

  14. Microstructural examination of V-(4-5%) Cr-(4-5%)Ti irradiated in X530

    Energy Technology Data Exchange (ETDEWEB)

    Gelles, D.S. [Pacific Northwest National Lab., Richland, WA (United States); Chung, H.M. [Argonne Natinonal Lab., IL (United States)

    1997-08-01

    Microstructural examination results are reported for two heats of V-(4-5%)Cr-(4-5%)Ti irradiated in the X530 experiment to {approximately}400{degrees}C to provide an understanding of the microstructural evolution that may be associated with degradation of mechanical properties. Fine precipitates were observed in high density intermixed with small defect clusters for all conditions examined following the irradiation. The irradiation-induced precipitation does not appear to be affected by preirradiation heat treatment at 950-1125{degrees}C. There was no evidence for a significant density of large (diameter >10 nm) dislocation loops or network dislocations.

  15. Thermophysical and mechanical properties of V-(4-5)%Cr-(4-5)%Ti alloys

    Energy Technology Data Exchange (ETDEWEB)

    Zinkle, S.J. [Oak Ridge National Lab., TN (United States)

    1998-03-01

    Solid solution V-Cr-Ti alloys exhibit a good combination of high thermal conductivity, adequate tensile strength, and low thermal expansion. The key thermophysical and mechanical properties for V-(4-5)%Cr-(4-5)%Ti alloys are summarized in this report. Some of these data are available in the ITER Materials Properties Handbook (IMPH), whereas other data have been collected from recent studies. The IMPH is updated regularly, and should be used as the reference point for design calculations whenever possible.

  16. 2,2,6,6-Tetra-bromo-3,4,4,5-tetra-meth-oxy-cyclo-hexa-none.

    Science.gov (United States)

    Faizi, Md Serajul Haque; Mashrai, Ashraf; Shahid, M

    2014-07-01

    In the title compound, C10H14Br4O5, synthesized from the meth-oxy Schiff base N-(pyridin-2-ylmeth-yl)meth-oxy-aniline and mol-ecular bromine, the cyclo-hexa-none ring has a chair conformation with one of the four meth-oxy groups equatorially orientated with respect to the carbonyl group and the others axially orientated. The C-Br bond lengthsvary from 1.942 (4) to1.964 (4) Å. In the crystal, weak C-H⋯Ocarbon-yl hydrogen-bonding inter-actions generate chains extending along the b-axis direction. Also present in the structure are two short inter-molecular Br⋯Ometh-oxy inter-actions [3.020 (3) and 3.073 (4) Å].

  17. Crystal and mol-ecular structure of aflatrem.

    Science.gov (United States)

    Lenta, Bruno N; Ngatchou, Jules; Kenfack, Patrice T; Neumann, Beate; Stammler, Hans-Georg; Sewald, Norbert

    2015-11-01

    The crystal structure of the title compound, C32H39NO4, confirms the absolute configuration of the seven chiral centres in the mol-ecule. The molecule has a 1,1-dimethylprop-2-enyl substituent on the indole nucleus and this nucleus shares one edge with the five-membered ring which is, in turn, connected to a sequence of three edge-shared fused rings. The skeleton is completed by the 7,7-trimethyl-6,8-dioxabi-cyclo-[3.2.1]oct-3-en-2-one group connected to the terminal cyclohexene ring. The two cyclohexane rings adopt chair and half-chair conformations, while in the dioxabi-cyclo-[3.2.1]oct-3-en-2-one unit, the six-membered ring has a half-chair conformation. The indole system of the mol-ecule exhibits a tilt of 2.02 (1)° between its two rings. In the crystal, O-H⋯O hydrogen bonds connect mol-ecules into chains along [010]. Weak N-H⋯π inter-actions connect these chains, forming sheets parallel to (10-1).

  18. Synthesis and Crystal Structure of 4-(Dichloroacetyl)-1-oxa-4-azaspiro[4.5]decane

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The title compound 4-(dichloroacetyl)-1-oxa-4-azaspiro[4. 5] decane (CAS number 71526-07-3, C10H15Cl2NO2, Mr = 252.13) was obtained by the reaction of dichloroacetic acid with 1-oxa-4-azaspiro[4. 5] decane. The crystal is of monoclinic, space group P21/n with the unit cell constants: a = 5.9619(4), b = 10.0066(8), c = 20.0986(4) (A), β = 90.194(3)°, V = 1199(4) (A)3, Z = 4, Dc = 1.397 g/cm3, F(000) = 528, μ(MoKα) = 0.522 mm-1, R = 0.0611 and wR = 0.1656 for 1276 observed reflections (I > 2σ(I)). X-ray analysis reveals that the cyclohexyl adopts a chair conformation and the compound is a chiral one.

  19. N-[4-Acetyl-5-(2-methylprop-1-enyl)-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.

    Science.gov (United States)

    Mazoir, Noureddine; El Ammari, Lahcen; Bouhmaida, Nouzha; Dahaoui, Slimane; Benharref, Ahmed; Berraho, Moha

    2009-05-14

    The title heterocyclic compound, C(20)H(27)N(3)O(2)S, was synthesized from 2-(4-methyl-cyclo-hex-3-en-yl)-6-methyl-hepta-2,5-dien-4-one, which was isolated from the essential oil Cedrus atlantica. The thia-diazole ring is essentially planar [maximum deviation 0.006 (2) Å] and it forms a dihedral angle of 18.08 (9)° with the benzene ring. The dihedral angle between the thia-diazole ring and the acetamide plane is 7.62 (10)°. In the crystal, mol-ecules are linked into chains running along the c axis by inter-molecular N-H⋯O hydrogen bonds.

  20. Segundo Paso. Grados 4to - 5to (Second Step. Grades 4-5).

    Science.gov (United States)

    Beland, Kathy

    This document is the Spanish language supplement to "Second Step, Grades 4-5," a violence-prevention curriculum designed to reduce impulsive and aggressive behavior in young children and to increase their social competence. The supplement, which cannot be used alone, translates portions of the curriculum, such as stories and discussions,…

  1. Microstructural examination of irradiated V-(4-5%)Cr-(4-5%)Ti

    Energy Technology Data Exchange (ETDEWEB)

    Gelles, D.S. [Pacific Northwest National Lab., Richland, WA (United States); Rice, P.M.; Zinkle, S.J. [Oak Ridge National Lab., TN (United States); Chung, H.M. [Argonne National Lab., IL (United States)

    1998-03-01

    Microstructural examination results are reported for two heats of V-(4-5%)Cr-(4-5%)Ti irradiated in the EBR-II X530 experiment to {approximately}4 dpa at {approximately}400 C to provide an understanding of the microstructural evolution that may be associated with degradation of mechanical properties. Fine precipitates were observed in high density intermixed with small defect clusters for all conditions examined following the irradiation. The irradiation-induced precipitation does not appear to b affected by preirradiation heat treatment at 950--1125 C. There was no evidence for a significant density of large (diameter >10 nm) dislocation loops or network dislocations. Analytical investigators successfully demonstrated that the precipitates were enriched in titanium, depleted in vanadium and contained no nitrogen.

  2. Li-5(BH4)(3)NH

    DEFF Research Database (Denmark)

    Wolczyk, Anna; Paik, Biswajit; Sato, Toyoto

    2017-01-01

    = 7.0474(2) angstrom at 77 degrees C. The crystal structure of Lis(BH4)(3)NH has been solved in space group Pnma, and refined coupling density functional theory (DFT) and synchrotron radiation X-ray powder diffraction data have been obtained for a 3LiBH(4):2Li(2)NH ball-milled and annealed sample...

  3. Determinantes estructurales que regulan la función de la isoforma beta de la fosfatidilinositol 4-fosfato 5-kinasa

    OpenAIRE

    Karam Francisco, Juan Carlos de

    2015-01-01

    Tesis doctoral inédita leída en la Universidad Autónoma de Madrid, Facultad de Ciencias, Departamento de Biología Molecular. Fecha de lectura: 15-04-2015 El fosfatidilinositol (4,5) bifosfato (PIP2) es una molécula reguladora de procesos tan importantes como la quimiotaxis. Las principales enzimas que sintetizan PIP2 a partir de fosfatidilinositol 4-fosfato (PI4P) son las fosfatidilinositol 4-fosfato 5-kinasas de tipo I (PIP5KI) cuya familia consta de tres isoformas, α, β, γ y sus...

  4. Crystal structure of 5-[4-(di-methyl-amino)-phen-yl]-3-(4-methyl-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.

    Science.gov (United States)

    Adam, Farook; Samshuddin, Seranthimata; Ameram, Nadiah; Subramaya; Samartha, Laxminarayana

    2015-12-01

    The title compound, C19H21N3O, comprises a central pyrazole ring which is N-connected to an aldehyde group and C-connected twice to substituted benzene rings. The pyrazole ring is twisted on the C-C single bond, and the least-squares plane through this ring forms dihedral angles of 82.44 (5) and 4.52 (5)° with the (di-methyl-amino)-benzene and p-tolyl rings, respectively. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules into supra-molecular tubes along the b axis.

  5. Spatial analysis of extreme precipitation deficit as an index for atmospheric drought in Belgium

    Science.gov (United States)

    Zamani, Sepideh; Van De Vyver, Hans; Gobin, Anne

    2014-05-01

    The growing concern among the climate scientists is that the frequency of weather extremes will increase as a result of climate change. European society, for example, is particularly vulnerable to changes in the frequency and intensity of extreme events such as heat waves, heavy precipitation, droughts, and wind storms, as seen in recent years [1,2]. A more than 50% of the land is occupied by managed ecosystem (agriculture, forestry) in Belgium. Moreover, among the many extreme weather conditions, drought counts to have a substantial impact on the agriculture and ecosystem of the affected region, because its most immediate consequence is a fall in crop production. Besides the technological advances, a reliable estimation of weather conditions plays a crucial role in improving the agricultural productivity. The above mentioned reasons provide a strong motivation for a research on the drought and its impacts on the economical and agricultural aspects in Belgium. The main purpose of the presented work is to map atmospheric drought Return-Levels (RL), as first insight for agricultural drought, employing spatial modelling approaches. The likelihood of future drought is studied on the basis of precipitation deficit indices for four vegetation types: water (W), grass (G), deciduous (D) and coniferous forests (C) is considered. Extreme Value Theory (EVT) [3,4,5] as a branch of probability and statistics, is dedicated to characterize the behaviour of extreme observations. The tail behaviour of the EVT distributions provide important features about return levels. EVT distributions are applicable in many study areas such as: hydrology, environmental research and meteorology, insurance and finance. Spatial Generalized Extreme Value (GEV) distributions, as a branch of EVT, are applied to annual maxima of drought at 13 hydro-meteorological stations across Belgium. Superiority of the spatial GEV model is that a region can be modelled merging the individual time series of

  6. 3-(4-{3,3,4,4,5,5-Hexafluoro-2-[5-(3-methoxyphenyl-2-methyl-3-thienyl]cyclopent-1-enyl}-5-methyl-2-thienylbenzonitrile

    Directory of Open Access Journals (Sweden)

    An-yin Chen

    2009-10-01

    Full Text Available The title compound, C29H19F6NOS2, is a new unsymmetrical photochromic diarylethene derivative with different meta-phenyl substituents. The distance between the two reactive (i.e. can be irradiated to form a new chemical bond C atoms is 3.501 (4 Å; the dihedral angles between the mean plane of the main central cyclopentene ring and the thiophene rings are 47.7 (5 and 45.1 (2°, and those between the thiophene rings and the adjacent benzene rings are 29.4 (2 and 28.4 (3°. The three C atoms and the F atoms of hexafuorocyclopentene ring are disordered over two positions, with site-occupancy factors of 0.751 (4 and 0.249 (4.

  7. Euthanasia in Belgium five years after legalisation.

    Science.gov (United States)

    Lewis, Penney

    2009-06-01

    In 2002, Belgium became the second country to legalise euthanasia after the Netherlands. Three biannual reports have been published by the Federal Control and Evaluation Commission, the body which monitors the application of the law. This article explores how the Belgian law works and what is known about Belgian euthanasia practice both before and since legalisation.

  8. Euthanasia in Belgium, the Netherlands and Luxembourg.

    Science.gov (United States)

    2013-11-01

    Each of the Benelux countries (Belgium, Luxembourg, Netherlands) has enacted legislation that partially decriminalises euthanasia, defined as an act that intentionally terminates someone's life at their request. In the Netherlands and Luxembourg, but not in Belgium, the legislation partially decriminalised assisted suicide at the same time. In all three countries, euthanasia can only be performed by a doctor, in response to the patient's voluntary and well-considered request, and for patients who have an incurable disease that causes unbearable suffering, without any prospect of relief. In the Netherlands, minors can request euthanasia as of the age of 12 years. In 2011, reported euthanasia accounted for about 1% of deaths in Belgium and 3% in the Netherlands. In 75% of cases, cancer was the disease leading to a request for euthanasia. In the Netherlands, the number of cases of euthanasia reported by doctors in surveys matches the number that is officially declared. In Belgium, it is thought that there are as many unreported as reported cases of euthanasia. Since the enactment of euthanasia legislation, fewer deaths involve the intentional administration of lethal drugs without an explicit request from the patient.

  9. An Astronomical Survey Conducted in Belgium

    Science.gov (United States)

    Nazé, Yaël; Fantaine, Sébastien

    2014-01-01

    This paper presents the results of the first survey conducted in Belgium about the interest in and knowledge of astronomy. Two samples were studied, the public at large (667 questionnaires) and students (2589 questionnaires), but the results are generally similar in both samples. We evaluated people's interest, main information source and…

  10. Elementary Particle Physics in Belgium Exhibition

    CERN Multimedia

    2000-01-01

    The experimental activities of the Belgian Universities and Institutes are performed within the framework of large international collaborations. Moreover, the universities whose name is colored in light blue with * on the map of Belgium also take part into theoretical work. (All these activities are mainly supported by the FNRS-FWO research foundations.)

  11. 4,4'-[(2R*,3R*,4R*,5R*)-3,4-Dimethyl-tetra-hydro-furan-2,5-di-yl]diphenol.

    Science.gov (United States)

    Favela-Hernández, Juan Manuel de Jesús; Camacho-Corona, María Del Rayo; Bernès, Sylvain; Flores-Alamo, Marcos

    2012-10-01

    The title mol-ecule, C(18)H(20)O(3), is a furan-oid lignan extracted from the leaves of Larrea tridentata. The relative absolute configuration for the four chiral centers was established, showing that this compound is 4-epi-larreatricin, which has been previously reported in the literature. The mol-ecule displays noncrystallographic C(2) symmetry, with the methyl and phenol substituents alternating above and below the mean plane of the furan ring. The conformation of this ring is described by the pseudorotation phase angle P = 171.3° and the maximum out-of-plane pucker ν(m) = 37.7°. These parameters indicate that the furan ring adopts the same conformation as the ribose residues in B-DNA. The packing is dominated by inter-molecular O-H⋯O hydrogen bonds. The phenol hy-droxy groups form chains in the [110] direction and these chains inter-act via O-H⋯O(furan) contacts.

  12. Poly[[μ-aqua-aqua-[μ(4)-ethyl (dichloro-methyl-ene)diphospho-nato]sesqui-calcium(II)] acetone hemisolvate 4.5-hydrate].

    Science.gov (United States)

    Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko; Ahlgrén, Markku

    2009-03-25

    The title compound, {[Ca(1.5)(C(3)H(5)Cl(2)O(6)P(2))(H(2)O)(2)]·0.5CH(3)COCH(3)·4.5H(2)O}(n), has a two-dimensional polymeric structure. The asymmetric unit contains two crystallographically independent Ca(2+) cations connected by a chelating and bridging ethyl (dichloro-methyl-ene)diphos-pho-n-ate(3(-)) ligand and an aqua ligand. One of the Ca atoms, lying on a centre of symmetry, has a slightly distorted octa-hedral geometry, while the other Ca atom is seven-coordinated in a distorted monocapped trigonal-prismatic geometry. The polymeric layers are further connected by extensive O-H⋯O hydrogen bonding into a three-dimensional supra-molecular network. The acetone solvent mol-ecule and one uncoordin-ated water mol-ecule are located on twofold rotation axes.

  13. 1,5-Bis(4-nitrophenoxypentane

    Directory of Open Access Journals (Sweden)

    Humaira M. Siddiqi

    2009-05-01

    Full Text Available The title compound, C17H18N2O6, crystallizes with two molecules in the asymmetric unit. In both molecules, one of the C—C bonds of the pentamethylene chain connecting the two aromatic rings is in a trans conformation and another displays a gauche conformation. The aromatic rings within each molecule are nearly coplanar [dihedral angles = 3.36 (9 and 4.50 (9°] and the nitro groups are twisted slightly out of the planes of their attached rings [dihedral angles = 8.16 (3/6.6 (2 and 4.9 (4/3.8 (3°].

  14. 5 CFR 1653.4 - Calculating entitlements.

    Science.gov (United States)

    2010-01-01

    ... PROCESSES AFFECTING THRIFT SAVINGS PLAN ACCOUNTS Retirement Benefits Court Orders § 1653.4 Calculating... purchased as of the effective date; and (iii) Multiplying the price per share as of the payment date by the... estimate the amount of a payee's entitlement when it prepares the court order decision letter and will...

  15. 5,4,3,2,...Thumbs Up!

    Science.gov (United States)

    Brannon, Frank

    1997-01-01

    Presents activities for K-4 students that explore two areas of body mechanics--bones and joints--with an emphasis on the human hand. Relates knowledge of how the body functions to comparable examples in robotics such as the "hand" of the Canadarm of the space shuttle. Activities are geared for students in pairs. (AIM)

  16. Advances in Astroparticle Physics (4/5)

    CERN Document Server

    CERN. Geneva

    2016-01-01

    Astroparticle physics is in an era of rapid progress. New observations challenge theory on several different fronts. We will analyze a few prominent examples, putting special emphasis on the connection with fundamental particle physics. Session 4. Interpreting IceCube’s neutrinos

  17. Availability of informal caregivers in surviving stroke patients in Belgium.

    Science.gov (United States)

    Francois, Silke; Borgermans, Liesbeth; Van Casteren, Viviane; Vanthomme, Katrien; Devroey, Dirk

    2014-12-01

    To quantify the availability of informal caregivers in surviving stroke patients residing at home in Belgium. National estimates on the availability of informal caregivers were made using data from a nationwide observational registration of family physicians working in sentinel practices and a nationwide administrative database for reimbursement of hospitals in Belgium. A total of 189 Belgian family physicians (FPs) from 141 practices participated in the study and recorded 326 patients (144 men and 182 women) with stroke. These FPs reach 1.5% of the Belgian population. After 1 month, 71% of the male and 75% of the female stroke survivors received support from family caregivers (p = 0.547). After 6 months, the percentage of male patients who received support from family caregivers decreased to 60% compared with 75% in female (p = 0.038). Of all patients with stroke admitted to Belgian hospitals during the reference year 2009 (n = 16.437), 8.997 returned home. Based on the findings from the sentinel practices, it is estimated that a mean of 73% (n = 6.568) and 67.5% (n = 6.073) of surviving patients with stroke can rely on informal caregivers in their home setting after one and 6 months, respectively. A vast majority of surviving stroke patients in Belgium can rely on informal caregivers in their home setting, but their availability rapidly decreases 6 months after the event. These findings underline the importance of proactive health policy making in stroke care taking into account the potentially decreasing number of available informal caregivers in the decades to come. © 2013 Nordic College of Caring Science.

  18. Pharmacognostical and Phytochemical investigation of aerial parts of Lagenaria siceraria (Mol.) Standley

    OpenAIRE

    Nithya R; Jayshree N

    2013-01-01

    Lagenaria siceraria (Mol.) Standley is a large pubescent, climbing or tailing herb with stout 5- angledstems and bifid tendrils belonging to the family Cucurbitaceae. Various parts of Lagenaria siceraria(Mol.) Standley has traditional and folklore claims in the treatment of diabetes, obesity, cardiovasculardiseases, urolithiasis, adenopathy, cancer, hypercholesterolemia, dyskinesia, hepatosis, jaundice,diarrhoea, dysuria, fever, rheumatism, myalgia, ophthalmia, uterosis, scabies, ulcer. In th...

  19. LAURA Users Manual: 5.4-54166

    Science.gov (United States)

    Mazaheri, Alireza; Gnoffo, Peter A.; Johnston, Christopher O.; Kleb, Bil

    2011-01-01

    This users manual provides in-depth information concerning installation and execution of Laura, version 5. Laura is a structured, multi-block, computational aerothermodynamic simulation code. Version 5 represents a major refactoring of the original Fortran 77 Laura code toward a modular structure afforded by Fortran 95. The refactoring improved usability and maintainability by eliminating the requirement for problem dependent re-compilations, providing more intuitive distribution of functionality, and simplifying interfaces required for multi-physics coupling. As a result, Laura now shares gas-physics modules, MPI modules, and other low-level modules with the Fun3D unstructured-grid code. In addition to internal refactoring, several new features and capabilities have been added, e.g., a GNU-standard installation process, parallel load balancing, automatic trajectory point sequencing, free-energy minimization, and coupled ablation and flowfield radiation.

  20. N-(3,5-Dimethylphenyl-4-nitrobenzenesulfonamide

    Directory of Open Access Journals (Sweden)

    U. Chaithanya

    2012-12-01

    Full Text Available There are two independent molecules in the asymmetric unit of the title compound, C14H14N2O4S, in which the dihedral angles between the benzene rings are 56.22 (15 and 58.16 (14°. In the crystal, N—H...Onitro hydrogen bonds link the molecules into zigzag chains running along the a-axis direction.

  1. Methyl 4-(butyrylamino-5-methyl-2-nitrobenzoate

    Directory of Open Access Journals (Sweden)

    Cheng Yao

    2008-04-01

    Full Text Available The title compound, C13H16N2O5, is useful as an intermediate in the field of agrochemicals. Intramolecular C—H...O hydrogen bonds result in the formation of one six- and one five-membered nearly planar ring; the six-membered ring is also nearly coplanar with the adjacent benzene ring. In the crystal structure, intermolecular C—H...O hydrogen bonds link the molecules.

  2. N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide ethyl acetate hemisolvate.

    Science.gov (United States)

    Loughzail, Mohamed; Mazoir, Noureddine; Maya, Celia M; Berraho, Moha; Benharref, Ahmed; Bouhmaida, Nouzha

    2008-12-03

    The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol-ecule. The thia-diazole ring is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2) Å. The dihedral angle between the benzene and thia-diazole rings is 18.32 (8)°. The crystal packing involves inter-molecular N-H⋯O hydrogen bonds.

  3. 5-Bromo-4-(3,4-dimethoxyphenylthiazol-2-amine

    Directory of Open Access Journals (Sweden)

    Hazem A. Ghabbour

    2012-06-01

    Full Text Available In the title compound, C11H11BrN2O2S, the thiazole ring makes a dihedral angle of 53.16 (11° with the adjacent benzene ring. The two methoxy groups are slightly twisted from the attached benzene ring with C—O—C—C torsion angles of −9.2 (3 and −5.5 (3°. In the crystal, molecules are linked by a pair of N—H...N hydrogen bonds into an inversion dimer with an R22(8 ring motif. The dimers are further connected by N—H...O hydrogen bonds into a tape along [-110].

  4. N-(2,5-Dimethylphenyl-4-methylbenzenesulfonamide

    Directory of Open Access Journals (Sweden)

    B. Thimme Gowda

    2010-01-01

    Full Text Available In the crystal structure of the title compound, C15H17NO2S, the conformation of the N—C bond in the C—SO2—NH—C segment has gauche torsions with respect to the S=O bonds. The molecule is bent at the S atom with a C—SO2—NH—C torsion angle of −61.0 (2°. The dihedral angle between the two aromatic rings is 49.4 (1°. The crystal structure features inversion-related dimers linked by pairs of N—H...O hydrogen bonds.

  5. 4-Hydroxy-5-(4-methoxyphenylpyrrolidin-2-one

    Directory of Open Access Journals (Sweden)

    Suchada Chantrapromma

    2008-03-01

    Full Text Available In the title compound, C11H13NO3, the pyrrolidin-2-one ring is in an envelope conformation with the hydroxyl and 4-methoxyphenyl substituents mutually cis. The methoxy group is slighty twisted away from the mean plane of the attached benzene ring. The molecules are arranged into screw chains along the c axis. These chains are interconnected via intermolecular O—H...O and N—H...O hydrogen bonds into sheets parallel to the ac plane. The crystal structure is further stabilized by weak intermolecular C—H...O and C—H...π interactions.

  6. Crystal structure of benzene-1,3,5-tri-carb-oxy-lic acid-4-pyridone (1/3).

    Science.gov (United States)

    Staun, Selena L; Oliver, Allen G

    2015-11-01

    Slow co-crystallization of a solution of benzene-1,3,5-tri-carb-oxy-lic acid with a large excess of 4-hy-droxy-pyridine produces an inter-penetrating, three-dimensional, hydrogen-bonded framework consisting of three 4-pyridone and one benzene-1,3,5-tri-carb-oxy-lic acid mol-ecules, C9H6O6·3C5H5NO. This structure represents an ortho-rhom-bic polymorph of the previously reported C-centered, monoclinic structure [Campos-Gaxiola et al. (2014 ▸). Acta Cryst. E70, o453-o454].

  7. 3-[(3,5-Dimethyl-1H-pyrazol-1-ylmethyl]-4-(4-methylphenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

    Directory of Open Access Journals (Sweden)

    Joel T. Mague

    2017-02-01

    Full Text Available With the pyrazolyl and p-tolyl groups lying to one side of the plane through the linking 1,2,4-triazole-5-thione residue [forming dihedral angles of 87.05 (8 and 81.41 (7°, respectively], the title molecule, C15H17N5S, adopts a `pincer' conformation stabilized in part by two intramolecular C—H...π(ring interactions. A three-dimensional network structure is generated by a combination of intermolecular N—H...N and C—H...S hydrogen bonds, as well as C—H...π(ring interactions.

  8. The paediatric psychiatric emergency population in a university teaching hospital in Belgium (2003-2008).

    Science.gov (United States)

    Cuypers, Pieter J V; Danckaerts, Marina; Sabbe, Marc; Demyttenaere, Koen; Bruffaerts, Ronny

    2014-10-01

    In the last few decades, there has been a remarkable increase in the number of children and adolescents presenting with psychiatric complaints to the emergency department in the USA. In Europe, however, less is known about the paediatric psychiatric emergency population. This study provides a clinical and demographic profile of this population and its service use in a European context. From 2003 to 2008, we registered 989 paediatric psychiatric patients consulting the psychiatric emergency services (PES) of a large university hospital in Belgium. During this period the number of patients increased more than three-fold. Patients were predominantly female (57.3%) and adolescent (83.3%) and mostly referred for hostility and violence towards others (18.5%) and suicidal ideation (17.8%). For about 1/4 of the patients, PES was the first ever mental health treatment contact. PES could serve as a place for early detection and intervention and as an entry point to mental health services.

  9. Optical dating of relict sand wedges and composite-wedge pseudomorphs in Flanders, Belgium

    DEFF Research Database (Denmark)

    Buylaert, Jan-Pieter; Ghysels, Günther; Murray, Andrew S.;

    2009-01-01

    We report on quartz Optically Stimulated Luminescence (OSL) dating of the infill of 14 relict sand wedges and composite-wedge pseudomorphs at 5 different sites in Flanders, Belgium. A laboratory dose recovery test indicates that the single-aliquot regenerative-dose (SAR) procedure is suitable...... appear to have been commonplace in Flanders during the Late Pleniglacial (Oxygen Isotope Stage 2; OIS2); more specifically, around the Last Glacial Maximum (LGM, similar to 21 kyr ago) and the transition period between the LGM and the start of the Lateglacial (similar to 15 kyr ago). Optical dating...... at one site has revealed two significantly older wedge levels, the younger inset into the older; the younger wedge has an age of 36 +/- 4 kyr (Middle Pleniglacial; OIS3), the older wedge 129 +/- 11 kyr, which points to formation during the Late Saalian (OIS6). Our OSL ages of the wedges and host...

  10. Pro WPF 4.5 in C# Windows Presentation Foundation in .NET 4.5

    CERN Document Server

    MacDonald, Matthew

    2012-01-01

    Microsoft's Windows Presentation Foundation (WPF) provides you with a development framework for building high-quality user experiences for the Windows operating system. It blends together rich content from a wide range of sources and allows you unparalleled access to the processing power of your Windows computer. Pro WPF 4.5 in C# provides a thorough, authoritative guide to how WPF really works. Packed with no-nonsense examples and practical advice you'll learn everything you need to know in order to use WPF in a professional setting. The book begins by building a firm foundation of elementary

  11. 1-Methyl-4-({5-[(4-methylphenylsulfanyl]pentyl}sulfanylbenzene

    Directory of Open Access Journals (Sweden)

    Matías López-Rodríguez

    2009-12-01

    Full Text Available There are two independent molecules in the asymmetric unit of the title compound, C19H24S2. In both molecules, the aliphatic segment of the ligand is in an all-trans conformation: the –S–(CH25–S–bridging chain is almost planar (r.m.s. deviation for all non-H atoms = 0.0393 and 0.0796 Å in the two molecules and maximally extended. Their mean planes form dihedral angles of 4.08 (6/20.47 (6 and 2.22 (6/58.19 (6° with the aromatic rings in the two molecules. The crystal packing is purely governed by weak intermolecular forces.

  12. 5-Hydroxy-2-methyl-4H-pyran-4-one

    Directory of Open Access Journals (Sweden)

    Bernhard K. Keppler

    2009-02-01

    Full Text Available The title compound, C6H6O3, is a member of the pyrone family. The molecules are planar (r.m.s. deviation of the asymmetric unit is 0.0248 Å, whereas that of the dimer is 0.0360 Å and they are dimerized due to intermolecular O—H...O hydrogen bonds. The dimers are connected to each other through hydrogen bonds involving the CH3 group and the hydroxy O atom. There are π–π interactions between the centroids of the pyrone rings at a distance of 3.8552 (13 Å. A C—H...π interaction also exists between the carbonyl group and the centroid CgA of the pyrone ring, with O...CgA = 3.65 (1 Å and C...CgA = 4.363 (2 Å.

  13. 10 CFR 960.4-2-5 - Erosion.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Erosion. 960.4-2-5 Section 960.4-2-5 Energy DEPARTMENT OF... Postclosure Guidelines § 960.4-2-5 Erosion. (a) Qualifying condition. The site shall allow the underground... consider the climatic, tectonic, and geomorphic evidence of rates and patterns of erosion in the...

  14. First Steps of Hydrogen Implementation in Belgium

    Energy Technology Data Exchange (ETDEWEB)

    Mulder Grietus; Martens Adwin [VITO Energy Technology, Boeretang 200, B-2400 Mol, (Belgium)

    2006-07-01

    Within the Belgian energy policy the knowledge on hydrogen was rather limited. To resolve this a project was started titled 'Development of Tools to Evaluate the Potential of Sustainable Hydrogen in Belgium' on behalf of Belgian Science Policy Office. It intends to be the first step in a scientific assessment of hydrogen in the Belgian context. The results of the project can be summarized as follows: - databases with international knowledge and experiences on hydrogen - hydrogen module within MARKAL-TIMES, illustrated by a scenario calculation - initial technology assessment on hydrogen, focussed on the scenario - translation of the progress in foreign legislation and licence procedures on hydrogen - definition of relevant policy issues concerning hydrogen. The conclusions of this study are shown in this presentation. The presentation starts showing the actual situation in Belgium around hydrogen and fuel cells. (authors)

  15. Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine

    Science.gov (United States)

    Repich, Hlib; Orysyk, Svitlana; Savytskyi, Pavlo; Pekhnyo, Vasyl

    2017-01-01

    The title compound, C13H12ClN5, was synthesized by the cyclization of 1-(4,6-di­methyl­pyrimidin-2-yl)-4-phenyl­thio­semicarbazide in the presence of Ni(NO3)2. The mol­ecular structure of the compound is essentially planar. In the crystal, mol­ecules form dimers via pairs of N—H⋯N hydrogen bonds between the H atom of the exocyclic amino group and the N atom at the 4-position of the triazole ring. The resulting dimers are packed into layers which are connected by π-stacking inter­actions between the aromatic systems of the pyrimidine and benzene nuclei, and between the triazole cores. PMID:28083130

  16. 1-[(1S,6R,7S,9R)-8,8-Di-bromo-5,5,9-tri-methyl-tri-cyclo-[4.4.0.1(7,9)]decan-1-yl]ethanone.

    Science.gov (United States)

    Zaki, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha

    2014-04-01

    The title compound, C16H24Br2O, was synthesized by three steps from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from essential oil of the Atlas cedar cedrus atlantica. The asymmetric unit contains two independent mol-ecules with almost identical conformations. Each mol-ecule is built up from two fused six-membered rings, one having a chair conformation and the other a boat conformation, and an additional three-membered ring arising from the reaction of himachalene with di-bromo-carbene. In the crystal, there are no significant intermolecular interactions present. The absolute structure of the title compound was confirmed by resonance scattering.

  17. Cyclopropanation of 5-(1-Bromo-2-phenyl-vinyl-3-methyl-4-nitro-isoxazoles under Phase Transfer Catalysis (PTC Conditions

    Directory of Open Access Journals (Sweden)

    Linda Piras

    2015-04-01

    Full Text Available Heavily substituted cyclopropane esters were prepared in high yields, complete diastereoselection and average (up to 58% enantioselectivity. The reaction described herein entailed reacting 4-nitro-5-bromostyrylisoxazoles, a class of powerful Michael acceptors with malonate esters under the catalysis of 5 mol% of a chincona derived phase-transfer catalyst.

  18. Crystal structure of Tb5Ni2In4 and Y5Ni2In4, and magnetic properties of Dy5Ni2In4

    Energy Technology Data Exchange (ETDEWEB)

    Provino, A.; Mudryk, Y.; Smetana, V.; Manfrinetti, P.; Pecharsky, V.K.; Gschneidner Jr, Karl; Corbett, J.D.

    2012-02-27

    The crystal structure of the R5Ni2In4 intermetallic compounds was earlier reported for R Ho, Er, Tm, and Lu (Lu5Ni2In4-type, oP22, Pbam); more recently the isostructural phases Dy5Ni2In4 and Sc5Ni2In4 have also been identified. Three inequivalent crystallographic sites are occupied by the R atoms in these compounds. We have synthesized and characterized Dy5Ni2In4 and the two new isotypic compounds Tb5Ni2In4 and Y5Ni2In4. So far, none of the physical properties have been reported on any of these phases; in this article we report on the physical properties of the Dy5Ni2In4 and the crystal structure of Tb5Ni2In4 and Y5Ni2In4 compounds. Measurements of the magnetic properties performed on Dy5Ni2In4 show a ferromagnetic-like ordering with a T-C approximate to 105 K, followed by multiple magnetic orderings at lower temperatures. The fit of the inverse susceptibility in the paramagnetic state follows the Curie-Weiss law, where mu(eff). - 10.3 mu(B)/Dy-atom (close to theoretical value of 10.64 mu(B) for the free ion Dy3+) and a positive paramagnetic Curie temperature theta(p) - 58 K. Ni atoms are most likely to be nonmagnetic. The heat capacity also shows three peaks: a large one at 103K and two weaker at 12 and 8 K, respectively; the in-field heat capacity data corroborate these results, suggesting ferromagnetic and antiferromagnetic orderings at the temperature of 103 and 12 K, respectively. Low temperature x-ray diffraction has shown that the compound does not undergo any structural change down to 5K. (C) 2012 American Institute of Physics

  19. High School Sport in Belgium (Wallonia)

    OpenAIRE

    Cloes, Marc

    2017-01-01

    In Belgium, since 1969, sport is a competence under the control of public authorities defined according to the linguistic regime. As in most Western European countries, sport has been compartmentalised by giving rise to three main types of practice: "professional", "traditional" and "alternative" sports (Diegel, 1995). Clubs linked to sports federations constitute the local setting up of the sports organization, which is largely a majority (Zintz, 2014). Other operators from the public domain...

  20. Forma central da moléstia nervosa de Recklinghausen

    Directory of Open Access Journals (Sweden)

    L. C. Mattosinho França

    1958-06-01

    Full Text Available Os autores apresentam uma sistematização das lesões que podem ser encontradas na moléstia de Recklinghausen. Foram observados 4 casos de forma nervosa central da moléstia. Em todos existiam tumores bilaterais nos ângulos pontocerebelares, constituindo uma das manifestações mais importantes da doença, sendo mesmo a única em um dos casos (forma central pura. Nos demais, portadores de formas mistas, além de outras lesões centrais (neurofibromas, meningeomas, ninhos de células atípicas, havia lesões periféricas discretas. Tumores intrarraquidianos originados nas bainhas radiculares foram os causadores da sintomatologia inicial em 3 pacientes. Em dois casos em que o córtex foi examinado histológicamente, foram encontrados ninhos de células gliais atípicas, característicos da forma central da neurofibromatose. Duas lesões relativamente raras foram encontradas no segundo caso: angioma cortical e neurite intersticial hipertrófica do plexo braquial. Em pacientes portadores de neurofibromatose periférica ou raquídea, como também em seus familiares, devem ser sempre procuradas lesões centrais, principalmente tumores do nervo acústico. O exame neuro-radiológico de escolha para confirmar o diagnóstico dêstes tumores é a iodoventriculografia.

  1. Synthesis, Characterization, Spectroscopic Properties of 2-(4-Dimethylaminophenyl)-5-fluoro-6-(morpholin-4-yl)-1H-benzimidazole and its Interaction with Calf Thymus DNA

    Institute of Scientific and Technical Information of China (English)

    Ling Tian TANG; Yi WANG; Xin Qi LIU; Shao Wen HU; Tai Wei CHU; Xiang Yun WANG

    2005-01-01

    2-(4-Dimethylaminophenyl)-5-fluoro-6-(morpholin-4-yl)- 1H-benzimidazole(1) has been synthesized and characterized by 1H-NMR, MS and elemental analysis. UV-Vis spectra of the aqueous solutions at different pH values reveal that compound 1 can combine three protons. Its three protonation constants are determined by spectrophotometry and calculated by non-linear least squares. The results of steady-state fluorescence measurements indicate that a special interaction occurs between compound 1 and calf thymus DNA, of which the binding constant, Kb, is (2.30 ±0.10)×l04 L/mol. Compound 1 in the concentration range of 10-8 to 1.2×l0-6 mol/L could be used for quantitative determination of DNA.

  2. 8,8-Diethyl-1,4,5,8-tetrahydronaphthalene-1,4,5-trione

    Directory of Open Access Journals (Sweden)

    Ramiro Araya-Maturana

    2009-02-01

    Full Text Available The title molecule, C14H14O3, contains two fused six-membered carbon rings with keto groups at positions 1, 4 and 5 and a gem-diethyl group at position 8. The molecule is close to planar (maximum deviation = 0.044 Å, with one ethyl group at each side of the molecular plane, with exception of the keto group at position 1 which is slightly deviated from the plane and disordered over two positions one on each side of it (occupancies 0.80/0.20. The packing of the molecule shows weak bonded chains along a through C—H...O contacts and two intramolecular C—H...O interactions are also present.

  3. Phosphorylation of inositol 1,4,5-trisphosphate analogues by 3-kinase and dephosphorylation of inositol 1,3,4,5-tetrakisphosphate analogues by 5-phosphatase

    NARCIS (Netherlands)

    Dijken, Peter van; Lammers, Aleida A.; Ozaki, Shoichiro; Potter, Barry V.L.; Erneux, Christophe; Haastert, Peter J.M. van

    1994-01-01

    A series of P-32-labeled D-myo-inositol 1,3,4,5-tetrakisphosphate [Ins(1,3,4,5)P-4] analogues was enzymically prepared from the corresponding D-myo-inositol 1,4,5-trisphosphate [Ins(1,4,5)P-3] analogues using recombinant rat brain Ins(1,4,5)P-3 3-kinase and [gamma-P-32]ATP. Ins(1,4,5)P-3 analogues

  4. Crystal structure of cis-bis-{4-phenyl-1-[(3R)-1,7,7-tri-methyl-2-oxobi-cyclo-[2.2.1]heptan-3-ylidene]thio-semicarbazidato-κ(3) O,N (1),S}cadmium(II) with an unknown solvent mol-ecule.

    Science.gov (United States)

    Nogueira, Vanessa Senna; Bresolin, Leandro; Näther, Christian; Jess, Inke; de Oliveira, Adriano Bof

    2015-12-01

    The reaction between the racemic mixture of the camphor-4-phenyl-thio-semicarbazone derivative and cadmium acetate dihydrate yielded the title compound, [Cd(C17H20N3OS)2]. The Cd(II) ion is six-coordinated in a distorted octa-hedral environment by two deprotonated thio-semicarbazone ligands acting as an O,N,S-donor in a tridentate chelating mode, forming five-membered chelate rings. In the crystal, the mol-ecules are connected via pairs of N-H⋯S and C-H⋯S inter-actions, building centrosymmetric dimers. One of the ligands is disordered in the campher unit over two sets of sites with site-occupancy factors of 0.7 and 0.3. The structure contains additional solvent mol-ecules, which are disordered and for which no reasonable split model was found. Therefore, the data were corrected for disordered solvent using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9-18] in PLATON. Since the disordered solvents were removed by data processing, and the number of solvent entities was a suggestion only, they were not considered in the chemical formula and subsequent chemical or crystal information.

  5. Interpersonal violence against children in sport in the Netherlands and Belgium

    NARCIS (Netherlands)

    Vertommen, Tine; Schipper-van Veldhoven, Nicolette; Wouters, Kristien; Kampen, J.K.; Brackenridge, Celia H.; Rhind, Daniel J.A.; Neels, Karel; Eede, Van Den Filip

    2016-01-01

    The current article reports on the first large-scale prevalence study on interpersonal violence against children in sport in the Netherlands and Belgium. Using a dedicated online questionnaire, over 4,000 adults prescreened on having participated in organized sport before the age of 18 were surveyed

  6. High Speed Lines in Belgium: Various Engineering Geological and Geotechnical Aspects: Keynote

    Science.gov (United States)

    Dethy, Bernard; Bouhenni, Saâd

    The High Speed Railway network in Belgium extends over 322 km of lines made up of 210 km of new line designed for speeds of 300 km/h and 112 km of conventional lines developed and upgraded for max. speeds up to 220 km/h. The estimation of the total budget of HSR lines is around 4,6 billion euros (1999).

  7. Interpersonal violence against children in sport in the Netherlands and Belgium

    NARCIS (Netherlands)

    Vertommen, Tine; Schipper-van Veldhoven, Nicolette; Wouters, Kristien; Kampen, J.K.; Brackenridge, Celia H.; Rhind, Daniel J.A.; Neels, Karel; Eede, Van Den Filip

    2016-01-01

    The current article reports on the first large-scale prevalence study on interpersonal violence against children in sport in the Netherlands and Belgium. Using a dedicated online questionnaire, over 4,000 adults prescreened on having participated in organized sport before the age of 18 were surveyed

  8. A New Class of Heterocycles: 1,4,3,5-Oxathiadiazepane 4,4-dioxides

    Directory of Open Access Journals (Sweden)

    Amel Bendjeddou

    2012-02-01

    Full Text Available This work reports the synthesis of novel 1,4,3,5-oxathiadiazepanes 4,4-dioxides from the reaction of N’-benzyl-N-(2-hydroxyethyl-sarcosine or proline sulfamide with aromatic aldehydes under acid catalysis. To prepare the starting materials N-Boc-sulfamide derivatives of sarcosine or proline were alkylated with benzyl alcohol under Mitsunobu reaction conditions, the Boc group was removed chemoselectively by acidolysis, and the resulting product reduced to the corresponding alcohol in good yields.

  9. Epidemiology of basal and squamous cell carcinoma in Belgium: the need for a uniform and compulsory registration.

    Science.gov (United States)

    Callens, J; Van Eycken, L; Henau, K; Garmyn, M

    2016-11-01

    Non-melanoma skin cancer (NMSC) is the most common type of cancer among Caucasians, however, few data exist on its incidence. Because of a sheer volume of these tumours, NMSC is often not systematically registered. To describe and analyse the incidence of basal cell carcinoma (BCC) and squamous cell carcinoma (SCC) in Belgium. Incidence data of BCC and SCC, including multiple primary skin tumours in the same patient, were extracted from the Belgian Cancer Registry from 2004 to 2012 (predominantly coming from pathology notifications). Belgian legislation makes cancer registration compulsory for oncological care programmes and for all pathological anatomy laboratories. Between 2004 and 2012, 113 254 BCC and 33 153 SCC cases were reported in Belgium. A total of 130 339 patients had 146 407 tumours. Approximately, 10% of the patients (12 759 patients) had multiple tumours. The world age-standardised incidence rate (WSR) for BCC increased from 36.9 in 2004 to 98.4 per 100 000 person years in 2012 for males and from 34.2 in 2004 to 102.0 in 2012 for females. For SCC, the WSR increased from 14.9 in 2004 to 24.7 in 2012 for males and from 6.8 in 2004 to 13.5 in 2012 for females. From 2004 to 2012, the incidence of BCC and SCC markedly rose in Belgium, as also seen worldwide. Known causes are increased sun exposure caused by changed sunlight-related behaviour (increased outdoor activities and holidays, use of tanning beds and changes in clothing style), ageing and improved registration. Because of their high and increasing incidence, these cancers will have major implications on healthcare planning and preventive measures. Therefore, we recommend compulsory registration, whenever is possible, of BCC and SCC, although it is an ambitious objective, especially in countries with a high burden of these tumours and in countries where registration is currently unavailable. © 2016 European Academy of Dermatology and Venereology.

  10. Contribution of Chronic Conditions to the Disability Burden across Smoking Categories in Middle-Aged Adults, Belgium

    Science.gov (United States)

    Yokota, Renata Tiene de Carvalho; Nusselder, Wilma Johanna; Robine, Jean-Marie; Tafforeau, Jean; Deboosere, Patrick; Van Oyen, Herman

    2016-01-01

    Introduction Smoking is considered the single most important preventable cause of morbidity and mortality worldwide, contributing to increased incidence and severity of disabling conditions. The aim of this study was to assess the contribution of chronic conditions to the disability burden across smoking categories in middle-aged adults in Belgium. Methods Data from 10,224 individuals aged 40 to 60 years who participated in the 1997, 2001, 2004, or 2008 Health Interview Surveys in Belgium were used. Smoking status was defined as never, former (cessation ≥2 years), former (cessation disability to chronic conditions, binomial additive hazards models were fitted separately for each smoking category adjusted for gender, except for former (cessation disability prevalence was observed across smoking categories in men (never = 4.8%, former (cessation ≥2 years) = 5.8%, daily light = 7.8%, daily heavy = 10.7%) and women (never = 7.6%, former (cessation ≥2 years) = 8.0%, daily light = 10.2%, daily heavy = 12.0%). Musculoskeletal conditions showed a substantial contribution to the disability burden in men and women across all smoking categories. Other important contributors were depression and cardiovascular diseases in never smokers; depression, chronic respiratory diseases, and diabetes in former smokers (cessation ≥2 years); chronic respiratory diseases, cancer, and cardiovascular diseases in daily light smokers; cardiovascular diseases and chronic respiratory diseases in men and depression and diabetes in women daily heavy smokers. Conclusions Beyond the well-known effect of smoking on mortality, our findings showed an increasing trend of the disability prevalence and different contributors to the disability burden across smoking categories. This information can be useful from a public health perspective to define strategies to reduce disability in Belgium. PMID:27105185

  11. 45 CFR 5b.4 - Maintenance of records.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 1 2010-10-01 2010-10-01 false Maintenance of records. 5b.4 Section 5b.4 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION PRIVACY ACT REGULATIONS § 5b.4 Maintenance of records. (a) No record will be maintained by the Department unless: (1) It is relevant and necessary to accomplish a...

  12. Radiological impact of almost a century of phosphate industry in Flanders, Belgium.

    Science.gov (United States)

    Paridaens, J; Vanmarcke, H

    2008-10-01

    In Belgium, since about 1920, the phosphate industry has been an important industrial activity. It is principally situated in Flanders, the northern part of Belgium, and produces mainly phosphoric acid, fertilizers, and cattle food. At its height, between 1980 and 1990, it processed between 1.5 and 2.0 Mt of phosphate ore of varying origin per year. In total, more than 60 Mt of ore were handled, containing about 72 TBq of 226Ra and 3.5 TBq of 232Th. Three different processing techniques in six large production sites gave rise to 50 Mt of phosphogypsum and 2.7 Mt of calcium fluoride sludge, all mainly stored on large deposits. In addition, limited recycling of phosphogypsum as building material has occurred in the past. Also, 10 Mt of phosphogypsum was discharged into a large tidal river. One plant still produces 0.25 Mt of gypsum per year. Liquid effluents, containing 13 TBq of radium chloride, were discharged into two small rivers, thus contaminating over 200 ha of land. Approximately 8 TBq of 226Ra and 0.6 TBq thorium ended up in finished products such as fertilizers. Despite these large production figures, so far the radiological impact for the Flemish population has been limited, but this might worsen in the future. The major risk consists in establishing residential areas on land that is contaminated with 226Ra because of liquid effluents or on forgotten gypsum deposits. Doing so might lead to enhanced indoor radon concentrations. In three isolated cases, we found houses built on gypsum deposits where the increased indoor radon levels raised the annual radiation dose to the inhabitants by about 4 mSv.

  13. Deep Sub-micro mol{\\cdot }mol^{-1} Water-Vapor Measurement by Dual-Ball SAW Sensors for Temperature Compensation

    Science.gov (United States)

    Takeda, N.; Oizumi, T.; Tsuji, T.; Akao, S.; Takayanagi, K.; Nakaso, N.; Yamanaka, K.

    2015-12-01

    A collimated surface acoustic wave (SAW) circles around the equator of a sphere hundreds of times. Because of the long distance travel of the collimated SAW, a small change in the SAW propagation caused by the environment of the sphere can be accumulated as a measurable range in amplitude and/or in delay time. So, a spherical SAW device enables highly sensitive water-vapor measurements. In this paper, deep sub \\upmu mol{\\cdot }mol^{-1} water-vapor detection by 1 mm diameter quartz crystal ball SAW sensors is described. To measure such a low water-vapor concentration in real time, it is necessary to compensate the temperature dependence of the ball SAW sensor, which is about 20 ppm{\\cdot }°C^{-1} in delay time change. A dual-frequency burst analog detector was developed for the temperature compensation in real time. By using a harmonic SAW sensor, which was excited by 80 MHz and 240 MHz at the same time, it was confirmed that the delay time drift for a temperature range of 21.0°C ± 1.0°C became less than 0.05 ppm in delay time change. By using dual-ball SAW sensors (which included a 150 MHz sensor with a water-vapor sensitive layer and a 240 MHz sensor as a reference), water-vapor concentrations from 0.1 \\upmu mol{\\cdot }mol^{-1} to 5 \\upmu mol{\\cdot }mol^{-1} were successfully measured. It appears that the delay time change is proportional to the square root of the water-vapor concentration. The detection limit determined by the electrical noise of the system was estimated at 0.01 \\upmu mol{\\cdot }mol^{-1}.

  14. 40 CFR 721.10061 - Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Pentane, 1,1,1,2,2,3,4,5,5,5... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10061 Pentane, 1,1,1,2,2,3,4,5,5,5... reporting. (1) The chemical substance identified as pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4...

  15. The first five years of euthanasia legislation in Belgium and the Netherlands: description and comparison of cases.

    Science.gov (United States)

    Rurup, Mette L; Smets, Tinne; Cohen, Joachim; Bilsen, Johan; Onwuteaka-Philipsen, Bregje D; Deliens, Luc

    2012-01-01

    The Netherlands and Belgium legalized euthanasia in 2002. In this study we describe and compare cases of reported euthanasia and physician-assisted suicide in the first 5 years of legislation. The databases of the cases reported in Belgium and the Netherlands were made available by the review committees. We compared characteristics of all cases reported between September 2002-December 2007. In the Netherlands 10,319 cases were reported, in Belgium 1917. Gender and age distributions were similar in both countries. Most patients suffered from cancer (83-87%), but patients more often suffered from diseases of the nervous system in Belgium (8.3% vs. 3.9%). In the Netherlands, reported euthanasia more often occurred at home compared with Belgium (81% vs. 42%), where it occurred more often in hospital (52% vs. 9%). In the Netherlands, all cases were based on the oral request of a competent patient. In Belgium, 2.1% of the reported cases was based on an advance directive. We conclude that countries debating legislation must realise that the rules and procedures for euthanasia they would agree upon and the way they are codified or not into law may influence the practice that develops once the legislation is effected or what part of that practice is reported.

  16. Ethyl 6-methyl-4-[2-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)thio-phen-3-yl]-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

    Science.gov (United States)

    Decken, Andreas; Zamora, Matthew T; Duguay, Dominique R; Vogels, Christopher M; Westcott, Stephen A

    2008-04-26

    A new Biginelli compound, C(18)H(25)BN(2)O(4)S(2), containing a boronate ester group was synthesized from a lithium bromide-catalysed reaction. The compound crystallizes with two independent mol-ecules in the asymmetric unit that differ mainly in the conformation of the ester functionality. The crystal structure is stabilized by inter-molecular N-H⋯O and N-H⋯S hydrogen bonds involving the 3,4-dihydro-pyrimidine-2(1H)-thione NH groups as donors and the carbonyl O and thio-phene S atoms as acceptors.

  17. New wheat-rye 5DS-4RS·4RL and 4RS-5DS·5DL translocation lines with powdery mildew resistance.

    Science.gov (United States)

    Fu, Shulan; Ren, Zhenglong; Chen, Xiaoming; Yan, Benju; Tan, Feiquan; Fu, Tihua; Tang, Zongxiang

    2014-11-01

    Powdery mildew is one of the serious diseases of wheat (Triticum aestivum L., 2 n = 6 × = 42, genomes AABBDD). Rye (Secale cereale L., 2 n = 2 × = 14, genome RR) offers a rich reservoir of powdery mildew resistant genes for wheat breeding program. However, extensive use of these resistant genes may render them susceptible to new pathogen races because of co-evolution of host and pathogen. Therefore, the continuous exploration of new powdery mildew resistant genes is important to wheat breeding program. In the present study, we identified several wheat-rye addition lines from the progeny of T. aestivum L. Mianyang11 × S. cereale L. Kustro, i.e., monosomic addition lines of the rye chromosomes 4R and 6R; a disomic addition line of 6R; and monotelosomic or ditelosomic addition lines of the long arms of rye chromosomes 4R (4 RL) and 6R (6 RL). All these lines displayed immunity to powdery mildew. Thus, we concluded that both the 4 RL and 6 RL arms of Kustro contain powdery mildew resistant genes. It is the first time to discover that 4 RL arm carries powdery mildew resistant gene. Additionally, wheat lines containing new wheat-rye translocation chromosomes were also obtained: these lines retained a short arm of wheat chromosome 5D (5 DS) on which rye chromosome 4R was fused through the short arm 4 RS (designated 5 DS-4 RS · 4 RL; 4 RL stands for the long arm of rye chromosome 4R); or they had an extra short arm of rye chromosome 4R (4 RS) that was attached to the short arm of wheat chromosome 5D (5 DS) (designated 4 RS-5 DS · 5 DL; 5 DL stands for the long arm of wheat chromosome 5D). These two translocation chromosomes could be transmitted to next generation stably, and the wheat lines containing 5 DS-4 RS · 4 RL chromosome also displayed immunity to powdery mildew. The materials obtained in this study can be used for wheat powdery mildew resistant breeding program.

  18. Synthesis and Biological Activity of 4,5-Dihydro-1,2,4-triazole-5-thione Schiff Base

    Institute of Scientific and Technical Information of China (English)

    SUN, Xiaohong; BAI, Yan; LIU, Yuanfa; CHEN, Bang; JIA, Yingqi; ZENG, Zhenfang

    2009-01-01

    The 4,5-dihydro-1,2,4-triazole Schiff base derivatives were synthesized with 4-amino-4,5-dihydro-3-(phenoxy- methyl)-1H-1,2,4-triazole-5-thione and substituted benzaidehydes. The chemical structures of the compounds have been confirmed by 1H NMR, IR spectra and elemental analysis. Their biological activities were investigated, and the results showed that they exhibited good fungicidal activities.

  19. Ab initio search for global minimum structures of neutral and anionic B 4H 5 clusters. Optical isomerism in B 4H 5 and B4H5-

    Science.gov (United States)

    Olson, Jared K.; Boldyrev, Alexander I.

    2011-11-01

    Potential energy surfaces of neutral and anionic B 4H 5 clusters were sampled using the Coalescence Kick method. We found that the neutral B 4H 5 cluster has two optical isomers as either a global minimum structure, or as almost degenerate isomers with the global minimum structure. For the B4H5- anion only the third lowest isomer forms a pair of optical isomers. The chemical bonding patterns revealed by the Adaptive Natural Density Partitioning (AdNDP) analysis can easily explain the geometric structure of even very exotic isomers and global minima. Theoretical vertical electron detachment energies (VDEs) were calculated for comparison with future experimental work.

  20. Dft Study on 4(5-Imidazole-Carbaldehyde-N(5-Phenylthiosemicarbazone (Imtph: Nmr Shielding Tensors, Thermodynamic Parameters, Nbo Analysis, Molecular Electrostatic Potential (Mep, Homo and Lumo Studies

    Directory of Open Access Journals (Sweden)

    Masoome Sheikhi

    2014-03-01

    Full Text Available The density functional theory (DFT calculations at the level of B3LYP/6-31G was carried out on the structure 4(5-Imidazole-carbaldehyde-N(5-phenylthiosemicarbazone (ImTPh in gas phase using Gaussian 03. Dipole moment (Debye, energy of structure formation (HF; kcal/mol and point group, NMR parameters such as isotropic shielding (σiso and anisotropic shielding (σaniso, σ11, σ22 and σ33 obtained. Also thermodynamic properties and natural bond orbitals (NBO were calculated. Besides, the frontier molecular orbital (FMO analysis and the molecular electrostatic potential (MEP of the compound were investigated by theoretical calculations.

  1. Proceedings of the 4th International Symposium on Material Testing Reactors; December 5-9, 2011, Oarai, Japan

    OpenAIRE

    石原 正博; 鈴木 雅秀

    2012-01-01

    This report is the Proceedings of the 4th International Symposium on Materials Testing Reactors hosted by Japan Atomic Energy Agency (JAEA). The 4th symposium was originally scheduled to be held INVAP in Argentina. However, the aftermath of volcanic explosion at Chili forced the symposium to change place. Total 111 participants attended from Argentina, Belgium, France, Germany, Indonesia, Malaysia, Korea, South Africa, Switzerland, the United State and Japan. This symposium addressed the gene...

  2. N-(3,5-Dimethyl-phen-yl)-4-nitro-benzene-sulfonamide.

    Science.gov (United States)

    Chaithanya, U; Foro, Sabine; Gowda, B Thimme

    2012-12-01

    There are two independent mol-ecules in the asymmetric unit of the title compound, C14H14N2O4S, in which the dihedral angles between the benzene rings are 56.22 (15) and 58.16 (14)°. In the crystal, N-H⋯Onitro hydrogen bonds link the mol-ecules into zigzag chains running along the a-axis direction.

  3. Wanted: suitable replacement stones for the Lede stone (Belgium)

    Science.gov (United States)

    De Kock, T.; Dewanckele, J.; Boone, M. A.; De Boever, W.; De Schutter, G.; Jacobs, P.; Cnudde, V.

    2012-04-01

    The Lede stone is an arenaceous limestone with a Lutetian age, occurring as discrete (most of the times three) stone banks in the marine sandy sediments of the Lede Formation (Belgium). It has a quartz content of approximate 40%. This increases abrasion strength and together with the cementation results in an average compressive strength of about 80-85 MPa. The cement is a microsparitic calcite cement. Other carbonate particles are both microfossils (mainly foraminifers) and macrofossils (bivalves, serpulids, echinoderms, …). This great diversity gives the stone a heterogeneous, animated appearance. The intra- and interparticle porosity is in total 5-10 % in average and the apparent density is 2400-2550 kg/m3. Another important constituent is glauconite, present in a few percent. In fresh state, the stone has a greenish-grey colour, but when it is exposed to atmospheric conditions for a couple of years, the stone acquires a yellowish to rust-coloured patina due to the weathering of glauconite. Sulphatation causes severe damage to the stone, and black gypsum crusts are common in urban environments on stones protected from runoff. This stone was excavated in both open air and underground quarries in the areas of Brussels and Ghent. The proximity of main rivers such as the Scheldt and Zenne provided transport routes for export towards the north (e.g. Antwerp and The Netherlands). Its first known use dates back to Roman times but the stone flourished in Gothic architecture due to its easy workability and its 'divine' light coloured patina. This results nowadays in a dominant occurrence in the cultural heritage of northwestern Belgium and the south of The Netherlands. Socio-economical reasons caused several declines and revivals of Lede stone in use. In the beginning of the 20th century, only a few excavation sites remained, with as main quarry the one located at Bambrugge (Belgium). By the end of the first half of the 20th century, however, no quarry sites remained

  4. 1-(1H-Imidazo[4,5-f][1,10]phenan­throlin-2-yl)naphthalen-2-ol

    OpenAIRE

    Wang, Xiu-Yan; MA, Shuai; He, Yu

    2011-01-01

    In the title mol­ecule, C23H14N4O, the dihedral angle between the pyridine rings of the phenanthroline unit is 4.43 (8)° and the dihedral angle formed by the nine essentially planar [maximum deviation 0.0389 (16)Å] non-H atoms of the benzimidazole unit and the naphthalene ring system is 74.22 (5)°. In the crystal, mol­ecules are linked by inter­molecular N—H⋯N and O—H⋯N hydrogen bonds, forming a three-dimensional network.

  5. Tetra-aqua-bis-{3-carb-oxy-5-[(4-carb-oxy-phen-yl)diazen-yl]benzoato-κO}cobalt(II) dihydrate.

    Science.gov (United States)

    Bai, Liang; Zhao, Jun

    2011-12-01

    In the title complex, [Co(C(15)H(9)N(2)O(6))(2)(H(2)O)(4)]·2H(2)O, the Co(II) ion is located on an inversion center and is coordinated by two monodentate 3-carb-oxy-5-[(4-carb-oxy-phen-yl)diazen-yl]benzo-ate ligands and four water mol-ecules in a distorted octa-hedral geometry. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network.

  6. 4-({[6-(4-Chlorobenzyl-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl-3-phenylsydnone

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-04-01

    Full Text Available In the title syndone (1,2,3-oxadiazol-3-ylium-5-olate compound, C21H16ClN5O4S, the dihedral angle between the benzene and oxadiazole rings is 55.62 (11° and that between the triazine and the chloro-substituted phenyl rings is 82.45 (9°. There is an intramolecular C—H...S hydrogen bond, which generates an S(5 ring motif. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generate R22(20 loops. The dimers are connected by C—H...N and C—H...O hydrogen bonds.

  7. Wild cervids are host for tick vectors of babesia species with zoonotic capability in Belgium.

    Science.gov (United States)

    Lempereur, Laetitia; Wirtgen, Marc; Nahayo, Adrien; Caron, Yannick; Shiels, Brian; Saegerman, Claude; Losson, Bertrand; Linden, Annick

    2012-04-01

    Babesiosis is a tick-borne disease caused by different species of intraerythrocytic protozoan parasites within the genus Babesia. Different species of Babesia are described as potentially zoonotic and cause a malaria-like disease mainly in immunocompromised humans. Interest in the zoonotic potential of Babesia is growing and babesiosis has been described by some authors as an emergent zoonotic disease. The role of cervids to maintain tick populations and act as a reservoir host for some Babesia spp. with zoonotic capability is suspected. To investigate the range and infection rate of Babesia species, ticks were collected from wild cervids in southern Belgium during 2008. DNA extraction was performed for individual ticks, and each sample was evaluated for the absence of PCR inhibition using a PCR test. A Babesia spp. genus-specific PCR based on the 18S rRNA gene was applied to validated tick DNA extracts. A total of 1044 Ixodes ricinus ticks were collected and 1023 validated samples were subsequently screened for the presence of Babesia spp. DNA. Twenty-eight tick samples were found to be positive and identified after sequencing as containing DNA representing: Babesia divergens (3), B. divergens-like (5), Babesia sp. EU1 (11), Babesia sp. EU1-like (3), B. capreoli (2), or unknown Babesia sp. (4). This study confirms the presence of potentially zoonotic species and Babesia capreoli in Belgium, with a tick infection rate of 2.7% (95% CI 1.8,3.9%). Knowledge of the most common reservoir source for transmission of zoonotic Babesia spp. will be useful for models assessing the risk potential of this infection to humans.

  8. Spectrophotometric Determination of Zinc Using 7-(4-Nitrophenylazo-8-Hydroxyquinoline-5-Sulfonic Acid

    Directory of Open Access Journals (Sweden)

    Korn Maria das Graças Andrade

    1999-01-01

    Full Text Available A sensitive and selective spectrophotometric method is proposed for the rapid determination of zinc(II using an 8-hydroxyquinoline derivative, 7-(4-nitrophenylazo-8-hydroxyquinoline-5-sulfonic acid (p-NIAZOXS, as a new spectrophotometric reagent. The reaction between the p-NIAZOXS and zinc(II is instantaneous at pH 9.2 (borax buffer and the absorbance remains stable for over 24 h. The method allows the determination of zinc over the range of 0.05-1.0 mug mL-1 with a molar absorptivity of 3.75x10(4 L mol-1 cm-1 and features a detection limit of 15 ng mL-1. The proposed method has been successfully applied to the determination of zinc in several pharmaceutical preparations and copper alloys. The precision (R.S.D. < 2% and the accuracy obtained were satisfactory.

  9. 6-Amino-5-(1-amino-2,2-dicyano-vin-yl)-3,3a,4,5-tetra-hydro-2H-indene-4-spiro-1'-cyclo-pentane-3a,7-dicarbonitrile-thio-phene-2-carbaldehyde (1/0.5).

    Science.gov (United States)

    Asiri, Abdullah M; Ng, Seik Weng

    2010-09-04

    In each of the two independent indene-4-spiro-pentane mol-ecules in the asymmetric unit of the title 2:1 adduct, C(19)H(18)N(6)·0.5C(5)H(4)OS, the cyclo-hexene ring adopts a half-chair conformation and the cyclo-pentene and cyclo-pentane rings adopt envelope conformations. The mean plane through the cyclo-hexene/cyclo-pentene fused system is aligned at a dihedral angle of 77.9 (1)° with respect to the mean plane through the cyclo-pentane ring in one mol-ecule and 87.0 (1)° in the other. In the crystal, adjacent indene-4-spiro-pentane mol-ecules are linked by N-H⋯N hydrogen bonds into a three-dimensional network. The spaces within the network are occupied by the thio-phene-2-carbaldehyde mol-ecules. The thio-phene-2-carbaldehyde unit is disordered over two positions of equal occupancy. The crystal studied was found to be a non-morohedral twin with two minor twin components of 18.4 and 9.7%.

  10. An astronomical survey conducted in Belgium

    CERN Document Server

    Naze, Yael

    2013-01-01

    This article presents the results of the first survey conducted in Belgium about the interest and knowledge in astronomy. Two samples were studied, the public at large (667 questionnaires) and students (2589 questionnaires), but the results are generally similar in both samples. We evaluated people's interest, main information source, and attitudes towards astronomy, as well as their supposed and actual knowledge of the subject. The main conclusion is that, despite a poor self-confidence, people do know the basic astronomical concepts. However, that knowledge is not deeply rooted, as reasoning questions show well-spread misconceptions and/or misunderstandings.

  11. [Euthanasia and general practice in Belgium].

    Science.gov (United States)

    Thomas, J M

    2014-09-01

    In Belgium, the GP can perform euthanasia or be called as a consultant. He must know the laws concerning the end of life and be able to explain his rights to his patients. He will know the best practices and techniques for euthanasia. If necessary, he will call help or refer to a more competent colleague. He negotiates with the patient an advanced care planning following the evolution of its pathologies and will witness its wishes regarding end of life against other institutions and doctors.

  12. Female offenders’ pathways to prison in Belgium

    Directory of Open Access Journals (Sweden)

    Nuytiens An

    2012-01-01

    Full Text Available This paper examines some results of a research on female offenders’ life histories and pathways to prison in Belgium. Women’s pathways into crime will be presented and the connection of these pathways to their life histories will be explored. The study reveals that the greater part of the research population are adult-onset offenders. The authors argue that the importance of adult-onset pathways for female offenders might be explained by the emergence of (gendered vulnerabilities within the women’s lives, often accumulated not before adulthood.

  13. 5-(2-amimo-4-styryl pyrimidine-4-yl-4-methoxybenzofuran-6-ol

    Directory of Open Access Journals (Sweden)

    Atteyat A Labib

    2013-05-01

    Full Text Available This study describes the organic synthesis of 5-(2-amimo-4-styryl pyrimidine-4-yl-4-methoxy benzofuran-6-ol (SPBF as an example of a benzofuran derivative used as a new series of amyloid imaging agents. These benzofuran derivatives may be useful amyloid imaging agents for detecting B-amyloid plagues in the brain of Alzheimer’s disease. The precursor is 1-[6-hydroxy-4-methoxybenzofuran-5-yl]-phenyl butadiene ketone, which react with guanidine hydrochloride. The purification process was done via crystallization using solvent ethanol. The overall yield was 75% and the structure of the synthesized compound was confirmed by correct analytical and spectral data. Also, The synthesized compound was labeled with radioactive iodine -125 via electrophilic substitution reaction, in the presence of iodogen as an oxidizing agent, the labeling process was carried out at 95oC for 20min. The radiochemical yield was determined by using a thin layer chromatography and the yield was equal to 80%. Preliminary an in-vivo study examined normal mice after intravenous injection through the tail vein and the data showed the labeling compound was quickly cleared from most body organs. The radioiodinated compound showed high brain uptake.The results of this study suggest that radioiodinated (SPBF may be useful as a brain imaging agents.

  14. Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan-yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate.

    Science.gov (United States)

    Seredyuk, Maksym; Pavlenko, Vadim A; Znovjyak, Kateryna O; Gumienna-Kontecka, Elzbieta; Penkova, Larysa

    2012-07-01

    In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(-)·OH(-), a singly protonated mol-ecule of the organic selenide participates in hydrogen bonding with neighboring mol-ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C-Se-C angle of 102.13 (15)°. π-π stacking inter-actions are observed between the closest pyrazole rings of neighboring chains [centroid-centroid distance = 3.888 (1) Å] and hydrogen bonding occurs through bridging chloride anions and hydroxide groups. Additionally, O-H⋯Cl hydrogen bonds are formed.

  15. Crystal structure of dimethyl 3,4,5,6-tetra-phenyl-cyclo-hexa-3,5-diene-1,2-di-carboxyl-ate.

    Science.gov (United States)

    Greenberg, Fred H; Nazarenko, Alexander Y

    2016-07-01

    In the title compound, C34H28O4, the cyclo-hexa-diene ring has a screw-boat conformation with a torsion angle between the double bonds being on average ca 15° [15.2 (3) and -15.3 (3) in the two independent mol-ecules]. All four phenyl rings in both mol-ecules are arranged in a propeller-like conformation. The two mol-ecules exhibit S,R- and R,S- chirality, respectively, and are connected via C-H⋯O inter-molecular inter-actions. In turn, these weakly bound dimers form the mol-ecular crystal.

  16. (E)-4-Meth-oxy-N'-(2,4,5-tri-meth-oxy-benzyl-idene)benzohydrazide hemihydrate.

    Science.gov (United States)

    Chantrapromma, Suchada; Boonnak, Nawong; Horkaew, Jirapa; Quah, Ching Kheng; Fun, Hoong-Kun

    2014-02-01

    The title compound crystallizes as a hemihydrate, C18H20N2O5·0.5H2O. The mol-ecule exists in an E conformation with respect to the C=N imine bond. The 4-meth-oxy-phenyl unit is disordered over two sets of sites with a refined occupancy ratio of 0.54 (2):0.46 (2). The dihedral angles between the benzene rings are 29.20 (9) and 26.59 (9)°, respectively, for the major and minor components of the 4-meth-oxy-substituted ring. All meth-oxy substituents lie close to the plane of the attached benzene rings [the Cmeth-yl-O-C-C torsion angles range from -4.0 (12) to 3.9 (2)°]. In the crystal, the components are linked into chains propagating along [001] via N-H⋯O and O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions.

  17. 4-Carb-oxy-pyridin-1-ium 2,4,5-tri-carb-oxy-benzoate monohydrate.

    Science.gov (United States)

    Arman, Hadi D; Tiekink, Edward R T

    2013-01-01

    The title hydrated salt, C6H6NO2 (+)·C10H5O8 (-)·H2O, was isolated from the 1:1 cocrystallization of benzene-1,2,4,5-tetra-carb-oxy-lic acid and isonicotinic acid in ethanol solution. In the crystal, the cation is close to planar [r.m.s. deviation = 0.085 Å for the nine fitted atoms; the C-C-C-O(carbon-yl) torsion angle = -8.7 (4)°], but twists are evident in the anion, with all but the carb-oxy-lic acid group diagonally opposite the carboxyl-ate group being significantly twisted out of the plane of the benzene ring [C-C-C-O(carbon-yl) torsion angles = -118.1 (2), -157.6 (2), 4.3 (3) and 77.3 (3)°]. In the crystal, the ions and water mol-ecules are consolidated into a three-dimensional architecture by O-H⋯O and N-H⋯O hydrogen bonding along with C-H⋯O inter-actions.

  18. Comparative study of Palladium (II using 4-Hydroxy 3, 5 dimethoxy benzaldehyde 4-hydroxy benzoyl hydrazone and Cinnamaldehyde 4-hydroxy benzoylhydrazone in presence of micellar medium by Spectrophotometry

    Directory of Open Access Journals (Sweden)

    D.Gopala Krishna,

    2010-09-01

    Full Text Available Two simple, sensitive, rapid and selective spectrophotometric methods have been developed for the determination of Palladium (II using newly synthesized reagents 4-Hdroxy3,5dimethoxy benzaldehyde-4-hydroxybenzoylhydrazone (HDMBHBH and Cinnamaldehyde 4-hydroxy benzoylhydrazone (CMHBH in presence of neutral surfactant TritonX-100-5% (micellar medium. Palladium (II forms a brown coluored water-soluble complex with HDMBHBH and CMHBH-in the pH range 1.0-6.0. The Pd (II-HDMBHBH complex shows maximum absorbance at max 373 nm in the pH range 3.0-4.0 and Pd (II-CMHBH shows at max 375 nm in thepH range 4.0-5.0. At these wavelengths (max, the complex shows maximum absorbance while the reagent blanks shows negligible absorbance. Hence, analytical studies were carried out at max 373 nm at pH 3.0 for HDMBHBH and 375 nm at pH 4.0 for CMHBH against reagent blanks. Beer's law is obeyed in the range 0.106-1.064 μg ml-1 and the optimum concentration range from ringbom plot is 0.212-0.957 g/ml of Palladium (II for both reagents. The molar absorptivity and Sandell's sensitivity for the coloured solution were found to be 7.5 x 104 L mol-1 cm-1 and 0.0015-μg. cm-2 for HDMBHBH, 6.0x104L mol-1 cm-1 , and 0.0017 -μg. cm-2 for CMHBH respectively. The interference effects of various diverse ions have been studied. Palladium (II forms 1:1 complex with HDMBHBH and CMHBH stoichiometry with stability constant 7.29 x 106 for HDMBHBH and 3.55 x 106 for CMHBH. The standard deviation in the determination of 0.638-μg ml-1 of Palladium (II is 0.003 for HDMBHBH and 0.008 for CMHBH. The Relative standard deviation is 0.71% for HDMBHBH and 2.5% for CMHBH. First and second order derivative spectroscopic methods were developed at max 422 nm and 444 nm for HDMBHBH and at 402 nm and438 nm for CMHBH respectively, for the determination of Palladium (II, which is more sensitive than the zero order method. The developed method has been employed for the determination of

  19. 1-(3,5-Dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT) and its energetic salts: highly thermally stable energetic materials with high-performance.

    Science.gov (United States)

    Li, Chuan; Zhang, Man; Chen, Qishan; Li, Yingying; Gao, Huiqi; Fu, Wei; Zhou, Zhiming

    2016-11-28

    A novel energetic heat-resistant explosive, 1-(3,5-dinitro-1H-pyrazol-4-yl)-3-nitro-1H-1,2,4-triazol-5-amine (HCPT), has been synthesized along with its salts. An intensive characterization of the compounds is given, including (1)H and (13)C NMR spectroscopy, IR spectroscopy, and elemental analysis. The crystal structures of neutral HCPT (3), its triaminoguanidinium salt (10), 3,4,5-triamino-1,2,4-triazolium salt (12), and copper(ii) complex (16) were determined by single-crystal X-ray diffraction. The physicochemical properties of the compounds, such as density, thermal stability, and sensitivity towards impact and friction were evaluated; all energetic compounds exhibited excellent thermal stabilities with decomposition temperatures ranging from 215 °C to 340 °C, and high positive heats of formation between 622.8 kJ mol(-1) and 1211.7 kJ mol(-1). The detonation pressures and velocities for the energetic compounds were calculated using EXPLO5 (V6.01) based on experimental densities and calculated heats of formation, and the corresponding values were in the ranges of 26.5 GPa to 37.8 GPa and 8236 m s(-1) to 9167 m s(-1). Based on thermal stability values and energetic parameters, compounds 3 and 7 were superior to those of all of the commonly used heat-resistant explosives, which may find potential application as heat-resistant energetic materials.

  20. First-Principles Study of Doped Half-Metallic Spinels: Cu0.5Zn0.5Cr2S4,Cu0.5Cd0.5Cr2S4, Li0.5Zn0.5Cr2O4 and Li0.5Zn0.5Cr2S4

    Institute of Scientific and Technical Information of China (English)

    ZHOU Tie-Ge; LIU Zhi-Qiang; ZUO Xu

    2012-01-01

    Electronic structure and magnetic properties of Cu0.5 Zn0.5 Cr2S4, Cu0.5 Cd0.5 CrS4, Li0.5 Zn0.5 CrO4 and Li0.5 Zn0.5 Cr2S4 are investigated using the first-principles calculation based on the density functional theory. GGA+U exchange correlation is used in the calculation to correct the effective Coulomb repulsion energy of Cr underestimated by LSDA or GGA. The calculation results reveal that half-metallic Cu0.5 Zn0.5 Cr2S4 and Cu0.5 Cd0.5 CrS4 can be achieved by doping CuCr2S4 with Zn or Cd, though CuCr2S4 is not half-metallic. Half-metallic LiCr2O4 is experimentally unstable, but half-metallic Li0.5 Zn0.5 Cr2O4 and Li0.5 Zn0.5 Cr2S4 can be achieved by doping Li into experimentally stable ZnCr2O4 and ZnCr2S4, though ZnCr2O4 and ZnCr2S4 are not half-metallic. The influence of +U on the electronic structure and half-metallicity of the doped systems is also presented.%Electronic structure and magnetic properties of Cu0.5 Zn0.5 Cr2S4,Cu0.5 5 Cd0.5 Cr2S4,Li0.5 Zn0.5 Cr2O4 and Li0.5 Zn0.5 Cr2S4 are investigated using the first-principles calculation based on the density functional theory.GGA +U exchange correlation is used in the calculation to correct the effective Coulomb repulsion energy of Cr underestimated by LSDA or GGA.The calculation results reveal that half-metallic Cu0.5Zn0.5Cr2S4 and Cu0.5Cd0.5Cr2S4 can be achieved by doping CuCr2S4 with Zn or Cd,though CuCr2S4 is not half-metallic.Half-metallic LiCr2O4 is experimentally unstable,but half-metallic Li0.5Zn0.5 Cr2O4 and Li0.5Zn0.5 Cr2S4 can be achieved by doping Li into experimentally stable ZnCr2O4 and ZnCr2S4,though ZnCr2O4 and ZnCr2S4 are not half-metallic.The influence of +U on the electronic structure and half-metallicity of the doped systems is also presented.

  1. μ-1,4-Bis(pyridin-4-ylmeth-yl)piperazine-κN:N'-bis-[aqua-bis-(3-bromo-5-carb-oxy-benzoato-κO)copper(II)].

    Science.gov (United States)

    Meyer, Jodi L; Laduca, Robert L

    2012-02-01

    In the title compound, [Cu(2)(C(8)H(4)BrO(4))(4)(C(16)H(20)N(4))(H(2)O)(2)], slightly distorted square-planar-coordinated Cu(II) ions are bound by one aqua ligand and two monodentate 3-bromo-5-carb-oxy-benzoate anions, and linked into a centrosymmetric dinuclear mol-ecule by a bridging 1,4-bis-(pyridin-4-ylmeth-yl)piperazine (4-bpmp) ligand. In the crystal, mol-ecules are connected into a supra-molecular two-dimensional network parallel to (131) via O-H⋯O hydrogen bonds involving the aqua ligands and 3-bromo-5-carb-oxy-benzoate carboxyl-ate groups.

  2. ExoMol: Molecular Line List for Exoplanets and Other Atmospheres

    Science.gov (United States)

    Tennyson, Jonathan; Yurchenko, Sergei N.; Polyansky, Oleg

    2016-06-01

    The discovery of extrasolar planets is one of the major scientific advances of the last two decades. Thousands of planets have now been detected and astronomers are beginning to characterize their composition and physical characteristics. To do this requires a huge quantity of spectroscopic data most of which are not available from laboratory studies. The ExoMol project [1] is generating a comprehensive solution to this problem by providing spectroscopic data on all the molecular transitions of importance in the atmospheres of exoplanets. These data are widely applicable to other problems such studies on cool stars, brown dwarfs and circumstellar environments as well as industrial and technological problems on earth. ExoMol employs a mixture of first principles and empirically tuned quantum mechanical methods to compute comprehensive and very large rotation-vibration and rovibronic line lists. Results span a variety of closed (NaH, SiO, PN, NaCl, KCl, CS) and open (BeH, MgH, CaH, AlO, VO) shell diatomics to triatomics (HCN/HNC, SO_2, H_2S, H_3^+), tetratomics (H_2CO, PH_3, SO_3, H_2O_2), plus methane [2] and nitric acid [3]. This has led directly to the detection of new species in the atmospheres of exoplanets [4]. A new comprehensive data release has just been completed [5]. Progress on and future prospects of the project will be summarised. J. Tennyson, S. N. Yurchenko, Mon. Not. R. astr. Soc., 425, 21, 2012. S. N. Yurchenko, J. Tennyson, J. Bailey, M. D. J. Hollis, G Tinetti, Proc. Nat. Acad. Sci., 111, 9379, 2014. A. I. Pavlyuchko, S. N. Yurchenko, J. Tennyson, Mon. Not. R. astr. Soc., 452, 1702, 2015. A. Tsiaras et al, Astrophys. J., in press. J. Tennyson et al, J. Mol. Spectrosc., in press.

  3. 4-[5-(2-Methoxyphenyl-1,3,4-oxadiazol-2-yl]benzohydrazide

    Directory of Open Access Journals (Sweden)

    Muhammad Taha

    2014-05-01

    Full Text Available 4-(5-(2-Methoxyphenyl-1,3,4-oxadiazol-2-ylbenzohydrazide (5 was synthesized by three steps. The synthesis started with 2-methoxybenzohydrazide to form hydrazone (3 which was then cyclized to oxadiazole (4 and finally, treatment of oxadiazole (4 with hydrazine hydrate afforded the final product (5.

  4. Ternary K2Zn5As4-type pnictides Rb2Cd5As4 and Rb2Zn5Sb4, and the solid solution Rb2Cd5(As,Sb)4.

    Science.gov (United States)

    He, Hua; Stoyko, Stanislav S; Mar, Arthur; Bobev, Svilen

    2013-05-01

    Dirubidium pentacadmium tetraarsenide, Rb2Cd5As4, dirubidium pentazinc tetraantimonide, Rb2Zn5Sb4, and the solid-solution phase dirubidium pentacadmium tetra(arsenide/antimonide), Rb2Cd5(As,Sb)4 [or Rb2Cd5As3.00(1)Sb1.00(1)], have been prepared by direct reaction of the component elements at high temperature. These compounds are charge-balanced Zintl phases and adopt the orthorhombic K2Zn5As4-type structure (Pearson symbol oC44), featuring a three-dimensional [M5Pn4](2-) framework [M = Zn or Cd; Pn is a pnicogen or Group 15 (Group V) element] built of linked MPn4 tetrahedra, and large channels extending along the b axis which host Rb(+) cations. The As and Sb atoms in Rb2Cd5(As,Sb)4 are randomly disordered over the two available pnicogen sites. Band-structure calculations predict that Rb2Cd5As4 is a small-band-gap semiconductor and Rb2Zn5Sb4 is a semimetal.

  5. Initiation of methane turbulent flux measurements over a grazed grassland in Belgium

    Science.gov (United States)

    Dumortier, Pierre; Aubinet, Marc; Chopin, Henri; Debacq, Alain; Jérome, Elisabeth; Beckers, Yves; Heinesch, Bernard

    2013-04-01

    Methane fluxes emitted by a grazed meadow were measured continuously during the 2012 grazing season at the Dorinne Terrestrial Observatory (50° 18' 44" N; 4° 58' 07" E; 248 m asl.) in Belgium. Measurements were made with the eddy covariance technique, using a fast CH4 analyzer (Picarro G2311-f). Carbon dioxide fluxes (LI-7000) and various micro-meteorological and soil variables, biomass growth and stocking rate evolution were also measured at the site. The site is an intensively pastured meadow of 4.2 ha managed according to the regional usual practices where up to 30 cows are grazing simultaneously. N2O emissions are currently measured through dynamic closed chambers (Beekkerk van Ruth et al., Geophysical Research Abstracts. Vol. 15, EGU2013-3211, 2013) and the carbon budget of the site has already been investigated (Jerome et al. Geophysical Research Abstracts, Vol. 15, EGU2013-6989, 2013). As no CH4 measurements were available, CH4 fluxes were estimated on the basis of dry matter intake by the cows and a conversion factor obtained from a literature review. We want to improve this estimation by measuring CH4 fluxes, identifying their main environmental drivers and understanding diurnal and annual exchange patterns. Methane emissions were found strongly related with cattle stocking rate with a slope of 7.34±0.78 mol CH4 day-1 LSU-1. Up to now, no methane absorption has been observed, the meadow behaving as a methane emitter, even in the absence of cows. In the absence of cows, no significant relation can be established up to now between methane emissions and environmental parameters. No clear diurnal evolution is observed, neither during grazing periods nor during cow free periods. During cow presence periods, fluxes are highly variable, probably due to cow movements in and out the measurement footprint and cow digestion rhythm. Further developments are ongoing in order to improve cattle geo-localization through individual home-made GPS devices and infra

  6. Vocational Education and Training in Belgium. Second Edition.

    Science.gov (United States)

    Saint-Hubert, Roselyne Simon; van Griethuysen, Claire-Anne; Hellemans, Jacques; Verhelpen, Pierre; De Streel, Jean-Marc

    Belgium's vocational education and training (VET) was examined. The following topics were considered: (1) the VET environment (political and administrative structures; the economy; the labor force; unemployment); (2) Belgium's educational system (funding principles; the structure and objectives of basic, secondary, and higher education); (3) the…

  7. Implementation of acceptability criteria for dental radiology in Belgium.

    Science.gov (United States)

    Clarijs, Tom

    2013-02-01

    The implementation of routine quality control (QC) tests in dental radiology in Belgium has been neglected for many years. In 2008, the (Belgian) Federal Agency for Nuclear Control determined acceptability criteria for X-ray equipment used for dentomaxillofacial imaging. An overview of the development of the criteria, together with implementation and the first results of dental QC in Belgium, is discussed.

  8. The Dutch-French Language Border in Belgium.

    Science.gov (United States)

    Willemyns, Roland

    2002-01-01

    Describes language border fluctuations in Belgium as far as its Dutch-French portion is concerned. Examines the status and function of the language border in Belgium and of actual border fluctuations. Discusses two problem areas in detail: the "Voerstreek, and the Brussels suburban region. Language shift and language change through erosion in…

  9. 5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol on gold: SAM formation and electroactivity

    Energy Technology Data Exchange (ETDEWEB)

    Paulo, Tercio de F.; Silva, Maria A.S. da; Pinheiro, Solange de O.; Meyer, Emerson; Moreira, Icaro de S.; Diogenes, Izaura C.N. [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Quimica Organica e Inorganica]. E-mail: izaura@dqoi.ufc.br; Pinheiro, Lucidalva S.; Freire, Jose A. [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Fisica; Tanaka, Auro A. [Universidade Federal do Maranhao (UFMA), Sao Luis, MA (Brazil). Dept. de Quimica; Lima Neto, Pedro de [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Quimica Analitica e Fisico Quimica

    2008-07-01

    5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol (Hpyt) spontaneously adsorbs on gold forming SAMs (self-assembled monolayers) that, based on STM (Scanning Tunneling Microscopy) and electrochemical data, contain pinholes through which [Fe(CN){sub 6}]{sup 4-} and [Ru(NH{sub 3}){sub 6}]{sup 3+} probe molecules access the underlying gold electrode. For the former molecule, the dependence of the faradaic current on the electrolyte solution pH value allowed the evaluation of the surface pKa as 4.2. The thermodynamic parameters {delta}H{sub ads} and {delta}G{sub ads} for the Hpyt adsorption process could be described by the Langmuir model and were calculated as -20.01 and -39.39 kJ mol{sup -1}, respectively. Electrodic redox reaction of cytochrome c metalloprotein was accessed by using the Hpyt SAM with a heterogeneous electron transfer rate constant of 2.29 x 10{sup -3} cm s{sup -1}. (author)

  10. Effect of 3-chloro-4-(dichloromethyl)- 5- hydroxy- 2 [5H]-Furanone on Proliferation and Apoptosis of L-02 Cells%3-氯-4-二氯甲基-5-羟基-2(5氢)-呋喃酮对L-02细胞增殖周期和凋亡的影响

    Institute of Scientific and Technical Information of China (English)

    刘爱林; 余日安; 鲁文清

    2005-01-01

    背景与目的:研究饮水氯化消毒副产物3-氯-4-二氯甲基-5-羟基-2(5氢)-呋喃酮(3-chloro-4-(dichloromethyl)-5-hydroxy-2[5H]-Furanone,MX)对人胚胎肝细胞株(Human derived fetal hepatocytes,L-02)增殖周期和凋亡的影响.材料与方法:L-02细胞经MX(10、30、100、300 μmol/L)染毒3 h后继续培养0、3、6、9 h,用吖啶橙/溴化乙啶染色法和流式细胞术分析凋亡和增殖周期.结果:L-02细胞在周期不同时相的分布与MX染毒剂量和染毒后继续培养的时间有关;染毒后继续培养0 h时,30μmol/L MX诱导S期细胞显著增加,10、100、300 μmol/L MX诱导G2期细胞显著增加(P<0.01);在染毒后继续培养的第9 h,10 μmol/L MX诱导G2期细胞显著增加,30、100、300 μmol/L MX诱导S期细胞显著增加(P<0.05).MX各剂量组L-02细胞的凋亡率,随继续培养时间的延长,呈现先升后降的趋势,在6 h时达最大值,与溶剂对照组相比,差异有统计学意义(P<0.01);30 μmol/L MX剂量组L-02细胞的凋亡率最高.结论:MX可诱导L-02细胞增殖周期G2期、S期阻滞和凋亡,细胞周期阻滞的类型与MX染毒剂量和染毒后继续培养的时间有关.

  11. MolProbity for the masses–of data

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Vincent B. [University of Wisconsin-Madison, National Magnetic Resonance Facility at Madison, Biochemistry Department (United States); Wedell, Jonathan R.; Wenger, R. Kent; Ulrich, Eldon L. [University of Wisconsin-Madison, BioMagResBank, Biochemistry Department (United States); Markley, John L., E-mail: markley@nmrfam.wisc.edu [University of Wisconsin-Madison, National Magnetic Resonance Facility at Madison, Biochemistry Department (United States)

    2015-09-15

    MolProbity is a powerful software program for validating structures of proteins and nucleic acids. Although MolProbity includes scripts for batch analysis of structures, because these scripts analyze structures one at a time, they are not well suited for the validation of a large dataset of structures. We have created a version of MolProbity (MolProbity-HTC) that circumvents these limitations and takes advantage of a high-throughput computing cluster by using the HTCondor software. MolProbity-HTC enables the longitudinal analysis of large sets of structures, such as those deposited in the PDB or generated through theoretical computation—tasks that would have been extremely time-consuming using previous versions of MolProbity. We have used MolProbity-HTC to validate the entire PDB, and have developed a new visual chart for the BioMagResBank website that enables users to easily ascertain the quality of each model in an NMR ensemble and to compare the quality of those models to the rest of the PDB.

  12. 3,5,7-Trimethoxy-2-(4-methoxyphenyl-4H-1-benzopyran-4-one

    Directory of Open Access Journals (Sweden)

    Thammarat Aree

    2009-11-01

    Full Text Available In the title compound, C19H18O6, also known as 3,4′,5,7-tetramethoxyflavone, the dihedral angle between the benzopyran-4-one group and the attached benzene ring is 11.23 (8°. An intramolecular C—H...O hydrogen bond generates an S(6 ring motif. In the crystal, molecules are linked into a two-dimensional network parallel to (0overline{1}1 by intermolecular C—H...O hydrogen bonds, which generate R44(20, R44(12 and R22(14 ring motifs. Adjacent networks interact by π–π interactions between the pyran ring and its methoxyphenyl substituent [centroid–centroid distance = 3.5267 (8 Å].

  13. Elimination Reactions of (E)-2,4,6-Trinitrobenzaldehyde O-Benzoyloximes Promoted by R{sub 2}NH/R{sub 2}NH{sub 2}{sup +} in 70 mol% MeCN (aq). Effects of the β-Aryl Group and Leaving Group on Nitrile-Forming Transition States

    Energy Technology Data Exchange (ETDEWEB)

    Pyun, Sang Yong [Pukyong National University, Pusan (Korea, Republic of); Paik, Kyu Cheol; Han, Man So [Daejin University, Pocheon (Korea, Republic of); Cho, Bong Rae [Korea University, Seoul (Korea, Republic of)

    2016-06-15

    Elimination reactions of (E)-2,4,6-(NO{sub 2}){sub 3}C{sub 6}H{sub 2}CH=NOC(O)C{sub 6}H{sub 4}X (3) promoted by R{sub 2}NH/R{sub 2}NH{sub 2}{sup +} in 70 mol% MeCN (aq) have been studied. The reactions produced elimination products and exhibited second-order kinetics. The β and |β{sub lg}| values remained nearly the same for all leaving groups and bases. The results can be described by the negligible p{sub xy} interaction coefficient, p{sub xy} = ∂β/∂pK{sub lg} = ∂β{sub lg}/∂pK{sub BH} ≈ 0, which provides a strong support for the (E1cb){sub irr} mechanism. For eliminations from (E)-ArCH=NOC(O)C{sub 6}H{sub 4}X (1, 3) and (E)-2,4,6-(NO{sub 2}){sub 3}C{sub 6}H{sub 2}CH=NOAr' (2, 3), the change of the β-aryl group (Ar) from 2,4-dinitrophenyl (1) to 2,4,6-trinitrophenyl (3) increased the rate by 270-fold without appreciable change in the transition state structure. On the other hand, the leaving group (OAr') variation from benzoate (3) to 4-nitrophenoxy (2) induced a change in reaction mechanism from (E1cb){sub irr} to E2. These results have been attributed to the cyclic transition state for the nitrile-forming eliminations involving the benzoate leaving group.

  14. 2-[(2,4,4,6,6-Pentachloro-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinin-2-ylazanidyl]pyridinium

    Directory of Open Access Journals (Sweden)

    Safaa A. Ahmed

    2012-02-01

    Full Text Available The title compound, C5H5Cl5N5P3, crystallizes as a zwitterion in which the pyridine N atom is protonated. An S(6 ring motif is formed via an intramolecular C—H...N hydrogen bond. The triazatriphosphinine ring adopts an envelope conformation, with one N atom displaced by 0.145 (1 Å from the other atoms. In the crystal, N—H...N and C—H...N hydrogen bonds link the molecules into centrosymmetric dimers containing one R22(7 ring motif and two R22(8 ring motifs.

  15. Design, synthesis and pharmacological evaluation of 4-[2-alkylthio-5(4)-(4-substitutedphenyl)imidazole-4(5)yl]benzenesulfonamides as selective COX-2 inhibitors

    Institute of Scientific and Technical Information of China (English)

    Mona SALIMI; Mohammad Hossein GHAHREMANI; Nima NADERI; Mohsen AMINI; Elika SALIMI; Massoud AMANLOU; Khosrou ABDI; Ra-ha SALEHI; Abbas SHAFIEE

    2007-01-01

    Aim: To design and synthesize a series of benzenesulfonamide derivatives, 4-[2-alkylthio-5(4)-(4-substitutedphenyl)imidazole-4(5)-yl]benzenesulfonamides (4a-4j),which are intended to act as cyclooxygenase-2 (COX-2) inhibitors with good COX-2 inhibitor activity, and which will exert anti-inflammatory activities in vivo.Methods: Benzenesulfonamide derivatives were designed and synthesized through multi-step chemical reactions. All the synthesized compounds were evaluated in an in vitro assay. The active compound 4a-4f was selected for further evaluation in a carrageenan-induced rat paw edema model. Results: Docking studies showed that compound 4 bind into the primary binding site of COX-2 with the sulfonamide SO2NH2 moiety interacting with the secondary pocket amino acid residues. In the in vitro assay, compound 4 inhibited COX-2 with an inhibition concentration IC50 value of 1.23-8 nmol/L, compared to celecoxib with ICso value of 1.5 nmol/L. Com- pound 4b and 4c had good potency and selectivity in comparison to the celecoxib. In the in vivo model, compound 4a-4f exhibited a moderate potency to inhibit 50% carrageenan-induced paw edema with value of 1.58-4.3 mg/kg. In the latter experiment, compound 4c was the most active compound. Conclusion: The anti-inflammatory effects obtained for compound 4a-4j could be due to the presence of fluorine or hydrogen substituents in the para position of the phenyl ring of these compounds.

  16. Synthesis and positive inotropic evaluation of 1-(benzylamino)-3-(4,5-di-hydro[ 1,2,4]trizaolo[4,3-a]quinolin-7-yloxy)propan-2-ol derivatives

    Institute of Scientific and Technical Information of China (English)

    Ting Ting Li; Ling Zhang; Zhe Shan Quan; Hai Bo Zhu; Hu Ri Piao

    2009-01-01

    In an attempt to search for more potent positive inotropic agents,a series of 1-(benzylamino)-3-(4,5-dihydro[1,2,4]trizaolo[4,3-a]quinolin-7-yloxy)propan-2-ol derivatives was synthesized in four steps using 6-hydroxy-3,4-dihydro-2(1H)-quinolinone as a starting material,and their positive inotropic activities were evaluated by measuring the coronary blood flow(CBF)and the left ventricular pressure(LVP)followed by calculating the rate of pressure development(dp/dtmx values)in the preparation of rat Langendorff's heart.Three compounds(5d,5g,5j)showed favorable activities,among which 5g was shown the most potent with dp/dtmax value of 9.7% and CBF value of 17.8% at a concentration of 1×10-5 mol/L in our in vitro study.

  17. Bis(tetramethylcyclopentadienyl)titanium chemistry. Molecular structures of [(C(5)HMe(4))(mu-eta(1) : eta(5)-C(5)Me(4))Ti](2) and [(C(5)HMe(4))(2)Ti]N-2(2)

    NARCIS (Netherlands)

    deWolf, JM; Blaauw, R; Meetsma, A; Teuben, JH; Gyepes, R; Varga, [No Value; Mach, K; Veldman, N; Spek, AL

    1996-01-01

    Thermolysis of bis(tetramethylcyclopentadienyl)-stabilized titanium(III) compounds (C(5)HMe(4))(2)TiR (R = Me (2), Ph (3)) yields, in marked contrast with the bis(pentamethylcyclopentadienyl) analog, the dimeric product [(C(5)HMe(4))(mu-eta(1):eta(5)-C(5)Me(4))Ti](2) (4), With a bridging metalated t

  18. 4-(4-Chloro­phen­yl)-6-hydr­oxy-5-(2-thienyl­carbonyl)-6-(trifluoro­meth­yl)-3,4,5,6-tetra­hydro­pyrimidin-2(1H)-one monohydrate

    Science.gov (United States)

    Mosslemin, Mohammad Hossein; Nateghi, Mohammad Reza; Sadoughi, Hesamaddin; Lamei, Asal

    2009-01-01

    The asymmetric unit of the title compound, C16H12ClF3N2O3S·H2O, contains two crystallographically independent organic mol­ecules and two water mol­ecules. The organic species are linked by an inter­molecular O—H⋯O hydrogen bond, while the water mol­ecules are connected to them through inter­molecular O—H⋯N hydrogen bonds. The thio­phene and phenyl rings are oriented at dihedral angles of 62.35 (4) in the first independent mol­ecule and 60.74 (5)° in the second, while the pyrimidine rings adopt twisted conformations in both molecules. Intra­molecular N—H⋯F inter­actions result in the formation of two five-membered rings having envelope conformations. In the crystal structure, further inter­molecular O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into chains. PMID:21583192

  19. Calixarene-based mol­ecular capsule from olefin metathesis

    Science.gov (United States)

    Hailu, Shimelis T.; Butcher, Ray J.; Hudrlik, Paul F.; Hudrlik, Anne M.

    2013-01-01

    The reaction of tetra­kis­(all­yloxy)calix[4]arene with the first-generation Grubbs catalyst, followed by catalytic hydrogenation, gave the novel bis-calixarene 15,20,46,51,64,69,74,79-octa­oxatridecacyclo[32.28.8.83,28.113,53.122,44.09,14.021,26.038,70.040,45.052,57.059,63.07,80.032,73]octa­conta-1(63),3,5,7(80),9(14),10,12,21,23,25,28(73),29,31,34,36,38(70),40,42,44,52,54,56,59,61-tetra­cosa­ene benzene monosolvate, C72H72O8·C6H6. The structure consists of two calix[4]arene units connected by four-carbon chains at each of the four O atoms on their narrow rims, to form a cage. Each of the calix[4]arene units has a flattened cone conformation in which two of the opposite aryl groups are closer together and nearly parallel [dihedral angle between planes = 7.35 (16)°], and the other two aryl groups are splayed outward [dihedral angle between planes = 72.20 (8)°]. While the cavity contains no solvent or other guest mol­ecule, there is benzene solvent mol­ecule in the lattice. Two of the alkyl linking arms were disordered over two conformations with occupancies of 0.582 (3)/0.418 (3) and 0.33 (4)/0.467 (4). They were constrained to have similar metrical and thermal parameters. PMID:24046590

  20. 4-Bromo-2-((E-{4-[(3,4-dimethylisoxazol-5-ylsulfamoyl]phenyl}iminiomethylphenolate

    Directory of Open Access Journals (Sweden)

    Islam Ullah Khan

    2008-04-01

    Full Text Available The title compound, C18H16BrN3O4S, is a Schiff base ligand of 5-bromosalicylaldehyde and sulfisoxazole [or N-(3,4-dimethyl-5-isoxazolsulfanilamide]. The present structure is a zwitterion and is a more precise reinterpretation of the structure which was originally reported by Hämäläinen, Lehtinen & Turpeinen [Arch. Pharm. (1986, 319, 415–420]. The two aromatic rings which make π–π interactions [centroid–centroid distance 3.7538 (18 Å] through intermolecular interactions. There is also a C—Br...π interaction [3.6333 (15 Å] with the heterocyclic ring. An intramolecular N—H...O hydrogen bond also exists. Dimers are formed due to intermolecular N—H...O hydrogen bonding. Intermolecular C—H...O hydrogen bonding links a methyl C atom and the phenolate O atom. The dimers are linked by C—H...N hydrogen bonds, where the C atom is from the Schiff base group and the N atom is of five-membered heterocyclic ring.

  1. Anthracen-9-ylmethylene-(3,4-dimethylisoxazol-5-ylamine

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2011-09-01

    Full Text Available The title compound, anthracen-9-ylmethylene-(3,4-dimethylisoxazol-5-ylamine (3, was synthesized in high yield by reaction of anthracene-9-carbaldehyde and 5-amino-3,4-dimethyl­isoxazole in ethanol. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and GC-MS spectral analysis.

  2. 41 CFR 60-4.5 - Hometown plans.

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 1 2010-07-01 2010-07-01 true Hometown plans. 60-4.5...-CONSTRUCTION CONTRACTORS-AFFIRMATIVE ACTION REQUIREMENTS § 60-4.5 Hometown plans. (a) A contractor participating, either individually or through an association, in an approved Hometown Plan (including heavy...

  3. 5-Hydroxytryptamine 4 Receptor in the Endothelial Cells

    DEFF Research Database (Denmark)

    Profirovic, Jasmina; Vardya, Irina; Voyno-Yasenetskaya, Tatyana

    2006-01-01

    in the central nervous system (CNS). We have recently demonstrated that 5-HT4 receptor couples to G13 protein to induce RhoA-dependent gene transcription, neurite retraction, and neuronal cell rounding (Ponimaskin et al, 2002). Although multiple studies were focused on the function of the 5-HT4 receptor...

  4. 1,3-Substituted Imidazolidine-2,4,5-triones: Synthesis and Inhibition of Cholinergic Enzymes

    Directory of Open Access Journals (Sweden)

    Josef Jampilek

    2011-09-01

    Full Text Available A series of novel and highly active acetylcholinesterase and butyrylcholinesterase inhibitors derived from substituted benzothiazoles containing an imidazolidine-2,4,5-trione moiety were synthesized and characterized. The molecular structure of 1-(2,6-diisopropyl-phenyl-3-[(1R-1-(6-fluoro-1,3-benzothiazol-2-ylethyl]-imidazolidine-2,4,5-trione (3g was determined by single-crystal X-ray diffraction. Both optical isomers are present as two independent molecules in the triclinic crystal system. The lipophilicity of the compounds was determined as the partition coefficient log Kow using the traditional shake-flask method. The in vitro inhibitory activity on acetylcholinesterase from electric eel and butyrylcholinesterase isolated from equine serum was determined. The inhibitory activity on acetylcholinesterase was significantly higher than that of the standard drug rivastigmine. The discussed compounds are also promising inhibitors of butyrylcholinesterase, as some of the prepared compounds inhibit butyrylcholinesterase better than the internal standards rivastigmine and galanthamine. The highest inhibitory activity (IC50 = 1.66 μmol/L corresponds to the compound 1-(4-isopropylphenyl-3-[(R-1-(6-fluorobenzo[d]thiazol-2-ylethyl]imidazolidine-2,4,5-trione (3d. For all the studied compounds, the relationships between the lipophilicity and the chemical structure as well as their structure-activity relationships are discussed.

  5. Crystal structures of (S-(+-5-(3-bromo/chloro-4-isopropoxyphenyl-5-methylimidazolidine-2,4-dione

    Directory of Open Access Journals (Sweden)

    Shigeru Ohba

    2016-02-01

    Full Text Available In (S-(+-5-(3-bromo-4-isopropoxyphenyl-5-methylimidazolidine-2,4-dione, C13H15BrN2O3, (I, the hydantoin groups are connected via intermolecular N—H...O hydrogen bonds, forming a terraced sheet structure. In the chloro analogue, (S-(+-5-(3-chloro-4-isopropoxyphenyl-5-methylimidazolidine-2,4-dione, C13H15ClN2O3, (II, the intermolecular N—H...O hydrogen-bonding network forms a flat sheet. Comparison of the crystal structures reveals that (II is more loosely packed than (I.

  6. (±)-N-[4-Acetyl-5-methyl-5-(4-methyl-cyclo-hex-3-en-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.

    Science.gov (United States)

    Mohammed, Tebbaa; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha; Benharref, Ahmed

    2008-02-20

    The new title thiadiazole compound, C(14)H(21)N(3)O(2)S, was semi-synthesized starting from 1-(4-methyl-cyclo-hex-3-en-yl)ethanone, a natural product isolated from Cedrus atlantica essential oil. The stereochemistry has been confirmed by single-crystal X-ray diffraction. The thia-diazo-line ring is roughly planar, although it may be regarded as having a half-chair conformation. The cyclo-hexenyl ring has a half-chair conformation. The most inter-esting feature is the formation of a pseudo-ring formed by four mol-ecules associated through N-H⋯O hydrogen bonds around a fourfold inversion axis, forming an R(4) (4)(28) motif.

  7. Crystal structure of catena-poly[[di-aqua-cobalt(II)]-bis-[μ-5-(4-carb-oxy-ylato-phenyl)picolinato]-κ(3) N,O (2):O (5);κ(3) O (5):N,O (2)-[di-aqua-cobalt(II)]-μ-1-[4-(1H-imidazol-1-yl)phen-yl]-1H-imidazole-κ(2) N (3):N (3')].

    Science.gov (United States)

    Xu, Guo-Wang; Wang, Ye-Nan; Wang, Hai-Bing; Wang, Zhong-Long

    2015-07-01

    The asymmetric unit of the title polymeric Co(II) complex, [Co2(C13H7NO4)2(C12H10N4)(H2O)4] n , contains a Co(II) cation, a 5-(4-carboxyl-atophen-yl)picolinate dianion, two coordination water mol-ecules and half of 1-[4-(1H-imidazol-1-yl)phen-yl]-1H-imidazole ligand. The Co(II) cation is coordinated by two picolinate dianions, two water mol-ecules and one 1-[4-(1H-imidazol-1-yl)phen-yl]-1H-imidazole mol-ecule in a distorted N2O4 octa-hedral coordination geometry. The two picolinate dianions are related by an inversion centre and link two Co(II) cations, forming a binuclear unit, which is further bridged by the imidazole mol-ecules, located about an inversion centre, into the polymeric chain propagating along the [-1-11] direction. In the crystal, the three-dimensional supra-molecular architecture is constructed by O-H⋯O hydrogen bonds between the coordinating water mol-ecules and the non-coordinating carboxyl-ate O atoms of adjacent polymeric chains.

  8. Magnetoelastic behaviour of Gd sub 5 Ge sub 4

    CERN Document Server

    Magen, C; Algarabel, P A; Marquina, C; Ibarra, M R

    2003-01-01

    A complete investigation of the complex magnetic behaviour of Gd sub 5 Ge sub 4 by means of linear thermal expansion and magnetostriction measurements (5-300 K, 0-120 kOe) has been carried out. Our results support the suggested existence in this system of a coupled crystallographic-magnetic transition from a Gd sub 5 Ge sub 4 -type Pnma (antiferromagnetic) to a Gd sub 5 Si sub 4 -type Pnma (ferromagnetic) state. Strong magnetoelastic effects are observed at the field-induced first-order magnetic-martensitic transformation. A revised magnetic and crystallographic H- T phase diagram is proposed.

  9. MSSM-like from SU5 × D4 models

    Science.gov (United States)

    Ahl Laamara, R.; Miskaoui, M.; Saidi, E. H.

    2016-05-01

    Using finite discrete group characters and symmetry breaking by hyperflux as well as constraints on top-quark family, we study minimal low energy effective theory following from SU5 ×D4 models embedded in F-theory with non-abelian flux. Matter curves spectrum of the models is obtained from SU5 ×S5 theory with monodromy S5 by performing two breakings: first from symmetric group S5 to S4 subsymmetry, and next to dihedral D4 subgroup. As a consequence, and depending on the ways of decomposing triplets of S4, we end with three types of D4-models. Explicit constructions of these theories are given and a MSSM-like spectrum is derived.

  10. Crystal structure of Tb5Ni2In4, and magnetic properties of Dy5Ni2In4

    Energy Technology Data Exchange (ETDEWEB)

    Provino, A.; Mudryk, Y.; Paudyal, D.; Smetana, V.; Manfrinetti, P.; Pecharsky, V.K.; Gschneidner Jr, Karl; Corbett, J.D.

    2012-02-27

    The crystal structure of the R5Ni2In4 intermetallic compounds was earlier reported for R Ho, Er, Tm, and Lu (Lu5Ni2In4-type, oP22, Pbam); more recently the isostructural phases Dy5Ni2In4 and Sc5Ni2In4 have also been identified. Three inequivalent crystallographic sites are occupied by the R atoms in these compounds. We have synthesized and characterized Dy5Ni2In4 and the two new isotypic compounds Tb5Ni2In4 and Y5Ni2In4. So far, none of the physical properties have been reported on any of these phases; in this article we report on the physical properties of the Dy5Ni2In4 and the crystal structure of Tb5Ni2In4 and Y5Ni2In4 compounds. Measurements of the magnetic properties performed on Dy5Ni2In4 show a ferromagnetic-like ordering with a T-C approximate to 105 K, followed by multiple magnetic orderings at lower temperatures. The fit of the inverse susceptibility in the paramagnetic state follows the Curie-Weiss law, where mu(eff). - 10.3 mu(B)/Dy-atom (close to theoretical value of 10.64 mu(B) for the free ion Dy3+) and a positive paramagnetic Curie temperature theta(p) - 58 K. Ni atoms are most likely to be nonmagnetic. The heat capacity also shows three peaks: a large one at 103K and two weaker at 12 and 8 K, respectively; the in-field heat capacity data corroborate these results, suggesting ferromagnetic and antiferromagnetic orderings at the temperature of 103 and 12 K, respectively. Low temperature x-ray diffraction has shown that the compound does not undergo any structural change down to 5K. (C) 2012 American Institute of Physics.

  11. Theoretical Studies on Intermolecular Interactions of 4-Amino-5-nitro-1,2,3-triazole Dimers

    Institute of Scientific and Technical Information of China (English)

    LU Ya-Lin; GONG Xue-Dong; JU Xue-Hai; MA Xiu-Fang; XIAO He-Ming

    2006-01-01

    Seven optimized configurations and their electronic structures of 4-amino-5-nitro-1,2,3-triazole dimers on their potential energy surface have been obtained by using density functional theory (DFT) method at the B3LYP/6-311++G** level. The maximum intermolecular interaction energy is -35.42 kJ/mol via the basis set superposition error-correction (BSSE) and zero point energy-correction (ZPE). Charge transfers between the two subsystems are small. The vibration analysis of optimized configurations was performed, and the thermodynamic property changes from monomer to dimer have been obtained with the temperature ranging from 200 to 800 K on the basis of statistical thermodynamics. It is found that the hydrogen bonds contribute to the dimers dominantly, and the extent of intermolecular interaction is mainly determined by the hydrogen bonds' strength rather than their number. The dimerization processes of Ⅳ, Ⅴ and Ⅵ can occur spontaneously at 200 K.

  12. Methyl 4-{[6-(4-bromophenyl-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate

    Directory of Open Access Journals (Sweden)

    Adailton J. Bortoluzzi

    2011-05-01

    Full Text Available The structure of the title compound, C19H17BrN2O3, consists of two cyclic groups, viz. 4-(methoxycarbonylphenyl and 6-(4-bromophenyl-3-oxo-2,3,4,5-dihydropyridazin-4-yl, which are linked by a methylene spacer. The pyridazine ring is twisted and the dihedral angle between its mean plane and that of the bromophenyl mean plane is 17.2 (2°. The 4-(methoxycarbonylphenyl group shows a quasi-planar conformation, where the dihedral angle between the mean planes of the phenyl ring and carboxylate ester group is 7.9 (4°. Centrosymmetric intermolecular N—H...O hydrogen bonds form dimers. These are linked by C—Br...O=C interactions [Br...O = 3.10 (1 Å] to form a one-dimensional polymeric structure running along the [1overline{2}0] direction.

  13. Optimized MOL-PCR for Characterization of Microbial Pathogens.

    Science.gov (United States)

    Wuyts, Véronique; Roosens, Nancy H C; Bertrand, Sophie; Marchal, Kathleen; De Keersmaecker, Sigrid C J

    2016-01-06

    Characterization of microbial pathogens is necessary for surveillance, outbreak detection, and tracing of outbreak sources. This unit describes a multiplex oligonucleotide ligation-PCR (MOL-PCR) optimized for characterization of microbial pathogens. With MOL-PCR, different types of markers, like unique sequences, single-nucleotide polymorphisms (SNPs) and indels, can be simultaneously analyzed in one assay. This assay consists of a multiplex ligation for detection of the markers, a singleplex PCR for signal amplification, and hybridization to MagPlex-TAG beads for readout on a Luminex platform after fluorescent staining. The current protocol describes the MOL-PCR, as well as methods for DNA isolation, probe design, and data interpretation and it is based on an optimized MOL-PCR assay for subtyping of Salmonella Typhimurium.

  14. 1,5-Bis(4-chlorophenyl-3-[4-(dimethylaminophenyl]pentane-1,5-dione

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available In the title molecule, C25H23Cl2NO2, the central benzene ring forms dihedral angles of 81.88 (7 and 89.22 (7° with the two 4-chlorophenyl fragments. The crystal packing exhibits weak intermolecular C—H...O hydrogen bonds and π–π interactions [centroid–centroid distance 3.724 (3 Å].

  15. A Comparative Study of the Electronic and Magnetic Properties of Gd5Ge4 and Gd5Si4 Compounds

    Science.gov (United States)

    Z. Momeni, Larimi; Amirabadizadeh, A.; Yazdani, A.; Arabi, H.

    2014-12-01

    We present a comparative study of electronic structure and magnetic properties of Gd5Si4 and Gd5Ge4 compounds using first principles full potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT) using the WIEN2k code. The local-spin density approximation with correlation energy (LSDA+U) method has been used as the exchange-correlation potential. The optimized lattice constants are in good agreement with the experimental data. The total and partial density of states (DOS) of Gd5Si4 and Gd5Ge4 show the difference in Si 3p-Gd 5d and Ge 4p-Gd 5d hybridization, which have an effective role in indirect exchange interaction. In addition, the magnetic moments of Gd, Si, and Ge atoms and the compounds are calculated to clarify the differences in the magnetic properties of these compounds.

  16. (1R,4R,6S,7R-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.04,6]dodecan-12-one

    Directory of Open Access Journals (Sweden)

    Mohamed Zaki

    2014-05-01

    Full Text Available The title compound, C16H24Br2O, was synthesized from the reaction of β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene, which was isolated from Atlas cedar (Cedrus atlantica. The asymmetric unit contains two independent molecules with similar conformations. Each molecule is built up from two fused seven-membered rings and an additional three-membered ring. In both molecules, one of the seven-membered rings has a chair conformation, whereas the other displays a screw-boat conformation.

  17. 5 CFR 1.4 - Extent of the excepted service.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Extent of the excepted service. 1.4 Section 1.4 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE RULES COVERAGE AND DEFINITIONS (RULE I) § 1.4 Extent of the excepted service. (a) The excepted service shall include all civilian...

  18. 5 CFR 1650.4 - Certification of truthfulness.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Certification of truthfulness. 1650.4 Section 1650.4 Administrative Personnel FEDERAL RETIREMENT THRIFT INVESTMENT BOARD METHODS OF WITHDRAWING FUNDS FROM THE THRIFT SAVINGS PLAN General § 1650.4 Certification of truthfulness. By signing a TSP...

  19. Simultaneous Determination of Dopamine and Uric Acid at 2-Amino-5-mercapto-[1, 3, 4]triazole Self-assembled Monolayers Gold Electrode

    Institute of Scientific and Technical Information of China (English)

    Chuan Yin LIU; Li Zhu YANG; Feng SONG; Ling Yan JIANG; Guang Han LU

    2005-01-01

    A newly synthesized reagent 2-amino-5-mercapto-[ 1, 3, 4]triazole (MATZ) has been used to fabricate self-assembled monolayers (SAMs) on gold electrode for the first time. The SAMs electrode was characterized by electrochemical methods and scanning electronic microscopy (SEM),the SAMs electrode can be used to determinate dopamine (DA) and uric acid (UA) simultaneously with a detection limit of 8×10-7 mol/L for DA and 1×10-6 mol/L for UA respectively. The SAMs can also be used to detect the contents of DA and UA in synthetic urine sample with satisfactory results.

  20. 4 CFR 5.2 - Grade and pay retention.

    Science.gov (United States)

    2010-01-01

    ... terminate. (e) Pay retention. (1) Any GAO employee: who ceases to be entitled to a retained grade by reason... 4 Accounts 1 2010-01-01 2010-01-01 false Grade and pay retention. 5.2 Section 5.2 Accounts GOVERNMENT ACCOUNTABILITY OFFICE PERSONNEL SYSTEM COMPENSATION § 5.2 Grade and pay retention. (a) Change of...

  1. 4 CFR 25.5 - Conformity with signs and directions.

    Science.gov (United States)

    2010-01-01

    ... 4 Accounts 1 2010-01-01 2010-01-01 false Conformity with signs and directions. 25.5 Section 25.5 Accounts GOVERNMENT ACCOUNTABILITY OFFICE GENERAL PROCEDURES CONDUCT IN THE GOVERNMENT ACCOUNTABILITY OFFICE BUILDING AND ON ITS GROUNDS § 25.5 Conformity with signs and directions. Persons in the...

  2. 41 CFR 51-5.4 - Purchase exceptions.

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 1 2010-07-01 2010-07-01 true Purchase exceptions. 51-5... Contracts COMMITTEE FOR PURCHASE FROM PEOPLE WHO ARE BLIND OR SEVERELY DISABLED 5-CONTRACTING REQUIREMENTS § 51-5.4 Purchase exceptions. (a) A central nonprofit agency will normally grant a purchase...

  3. Triclinic modification of diaqua-bis-(5-carb-oxy-1H-imidazole-4-carboxyl-ato-κ(2)N(3),O(4))iron(II).

    Science.gov (United States)

    Ohshima, Eriko; Yoshida, Kazuki; Sugiyama, Kazumasa; Uekusa, Hidehiro

    2012-08-01

    The title compound, [Fe(C(5)H(3)N(2)O(4))(2)(H(2)O)(2)], is a triclinic modification of a monoclinic form recently reported by Du et al. [Acta Cryst. (2011) ▶, E67, m997]. The Fe(II) ion lies at an inversion center and is coordinated by two N and two O atoms from two 5-carb-oxy-1H-imidazole-4-carboxyl-ate ligands in trans positions, together with two water mol-ecules, completing a slightly distorted octahedral coordination. Inter-molecular N-H⋯O hydrogen bonding between the N-H group of the imidazole ring and the deprotonated carboxyl-ate group builds a chain of 5-carb-oxy-1H-imidazole-4-carboxyl-ate anions along the [101] direction. The water molecules form intermolecular hydrogen bonds to O-C and O=C sites of the carboxylate group in adjacent layers.

  4. 5-(4-Methylphenylsulfonyl-1,3-dithiolo[4,5-c]pyrrole-2-thione

    Directory of Open Access Journals (Sweden)

    Ning-Juan Zheng

    2012-04-01

    Full Text Available The asymmetric unit of the title compound, C12H9NO2S4, contains one half-molecule with the N, two S amd four C atoms lying on a mirror plane. The molecule exhibits a V-shaped conformation, with a dihedral angle of 87.00 (7° between the benzene and dithiolopyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C—H...O hydrogen bonds link the molecules into chains in [010].

  5. Syntheses of two potential dopamine D{sub 4} receptor radioligands: {sup 18}F labelled chromeno[3,4-c]pyridin-5-ones

    Energy Technology Data Exchange (ETDEWEB)

    Gu-Cai Li; Duan-Zhi Yin; Ming-Wei Wang; Deng-Feng Cheng; Yong-Xian Wang [Research Center of Radiopharmaceuticals, Shanghai Inst. of Applied Physics, Chinese Academy of Sciences, Shanghai, SH (China)

    2006-07-01

    The dopamine D{sub 4} receptor is hypothesized to relate with the pathophysiology and pharmacotherapy of schizophrenia while its level in brain regions is much lower and to date no suitable tracer is available for the study of D{sub 4} receptor in vivo. Therefore, selective imaging agents for the D{sub 4} subtype are badly needed. Based on the structure-activity analysis of chromeno[3,4-c]pyridin-5-ones as dopamine D{sub 4} receptor ligands, two fluorine-18 labelled chromeno[3,4-c] pyridin-5-one derivatives, 3-(4-[{sup 18}F]fluorobenzyl)-8-hydroxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one and 3-(4-[{sup 18}F]fluorobenzyl)-8,9-dimethoxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one were synthesized through a two-step one-pot method. Their radiochemical yields were around 19.7% (decay-corrected) and radiochemical purities were higher than 95% with specific activities of about 120 GBq/{mu}mol. (orig.)

  6. 3,5-Bis(4-methoxyphenyl-1-phenyl-4,5-dihydro-1H-pyrazole

    Directory of Open Access Journals (Sweden)

    Zeliha Baktır

    2011-02-01

    Full Text Available In the title compound, C23H22N2O2, the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å and it makes a dihedral angle of 18.5 (2° with the phenyl ring. The dihedral angles between the phenyl and the two methoxy-substituted phenyl rings are 26.2 (2 and 80.6 (2°. The crystal structure is stabilized by C—H...π stacking interactions and weak π–π interactions [centriod–centroid distance = 3.891 (2 Å].

  7. Synthesis and Characterization of Novel (E-tert-butyl 7-(4-methoxyphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-ylhept-2-enoate and (E-diethyl (6-(4-methoxyphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-ylhex-1-en-1-ylphosphonate; Application of Olefin Cross Metathesis

    Directory of Open Access Journals (Sweden)

    *H. Hussain

    2013-12-01

    Full Text Available Two novel compounds (E-tert-butyl 7-(4-methoxyphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-ylhept-2-enoate and (E-diethyl (6-(4-methoxyphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-ylhex-1-en-1-ylphosphonate were synthesized in excellent yields by olefin cross metathesis (CM. 3-(4-methoxyphenylpropyl diisopropylcarbamate and allylboronic acid pinacol ester were reacted in the presence of s-BuLi/N,N,N,N-tetramethylethyllenediamine (TMEDA to form sec. boronic ester which was further reacted with tert-butyl acrylate and diethyl vinylphosphonate respectively to get the desired products. Both novel compounds have applications as reactants for cyclopropanation and cyclopentataion for asymmetric synthesis.

  8. Characterization of Deep Geothermal Energy Resources in Low enthalpy sedimentary basins in Belgium using Electro-Magnetic Methods – CSEM and MT results

    OpenAIRE

    Coppo, Nicolas; DARNET, Mathieu; Harcouet-Menou, Virginie; Wawrzyniak, Pierre; Manzella, Adele; Bretaudeau, François; G. Romano; Lagrou, D.; Girard, Jean-Francois

    2016-01-01

    International audience; Sedimentary basins in Northwest Europe have significant potential for low to medium enthalpy, deep geothermal energy resources. These resources are generally assessed using standard seismic exploration techniques to resolve geological structures. The ElectroMagnetic campaign carried-out in Mol area (Belgium) has shown that despite the presence of high level of industrialization, the resistivity of deep formations (>3km) can be recovered from MT and CSEM methods and hen...

  9. 3,3′-Dimeth­oxy-2,2′-[(4,5-dimethyl-o-phenyl­ene)bis­(nitrilo­methanylyl­idene)]diphenol

    Science.gov (United States)

    Sahraei, Atefeh; Kargar, Hadi; Kia, Reza; Khan, Islam Ullah

    2011-01-01

    The asymmetric unit of the title compound, C24H24N2O4, comprises two crystallographically independent mol­ecules A and B. The dihedral angles between the central dimethyl-substituted benzene ring and the two outer benzene rings are 49.5 (1) and 5.06 (11)° in mol­ecule A, and 42.55 (8) and 5.77 (9)° in mol­ecule B. In each mol­ecule, two strong intra­molecular O—H⋯N hydrogen bonds generate two S(6) ring motifs. The crystal structure is further stabilized by inter­molecular π–π [centroid–centroid distances of 3.591 (1)–3.876 (1) Å] inter­actions. PMID:21522390

  10. C4.5 programs for machine learning

    CERN Document Server

    Quinlan, J Ross

    1992-01-01

    Classifier systems play a major role in machine learning and knowledge-based systems, and Ross Quinlan's work on ID3 and C4.5 is widely acknowledged to have made some of the most significant contributions to their development. This book is a complete guide to the C4.5 system as implemented in C for the UNIX environment. It contains a comprehensive guide to the system's use , the source code (about 8,800 lines), and implementation notes. The source code and sample datasets are also available for download (see below). C4.5 starts with large sets of cases belonging to known classes. The cases,

  11. 17-4 PH and 15-5 PH

    Science.gov (United States)

    Johnson, Howard T.

    1995-01-01

    17-4 PH and 15-5 PH are extremely useful and versatile precipitation-hardening stainless steels. Armco 17-4 PH is well suited for the magnetic particle inspection requirements of Aerospace Material Specification. Armco 15-5 PH and 17-4 PH are produced in billet, plate, bar, and wire. Also, 15-5 PH is able to meet the stringent mechanical properties required in the aerospace and nuclear industries. Both products are easy to heat treat and machine, making them very useful in many applications.

  12. Plasma selenium levels in healthy blood bank donors in the central-eastern part of Belgium.

    Science.gov (United States)

    Van Cauwenbergh, Rudy; Robberecht, Harry; Van Vlaslaer, Veerle; De Smet, Annie; Emonds, Marie-Paule; Hermans, Nina

    2007-01-01

    Graphite furnace atomic absorption spectrometry, with Zeeman background correction and after improved matrix modification, was used to measure the plasma selenium content of healthy blood bank donors in the central part of Belgium. The mean plasma selenium concentration of 80 men and 80 women was 79.7+/-4.4ng/mL with a range of 55.0-117.4ng/mL. There was no gender difference observed. Plasma selenium level was significantly highest for the adult group, aged 45-64 years, compared to the others, except the young adults (18-24 years). The mean plasma selenium concentration measured corresponded well with literature data for Belgium. The obtained values were found to be in the medium range, compared with recent literature values for the European countries.

  13. Thermal Stability and Humidity Resistance of ScTaO_4 Modified(K_(0.5)Na_(0.5))NbO_3 Ceramics

    Institute of Scientific and Technical Information of China (English)

    ZHENG Li-Mei; WANG Jin-Feng; WANG Chun-Ming; WU Qing-Zao; ZANG Guo-Zhong

    2009-01-01

    Lead-free(Na_(0.5)K_(0.5))NbO_3-xmol% ScTaO_4(x = 0-1.5)ceramics are prepared using the conventional solid-state reaction method and their properties are investigated in detail.The results indicate that the piezoelectric properties and density are improved by the introduction of ScTaO_4.Due to the high orthorhombic-tetragonal phase transition temperature T_(O-T)(around 200℃),stable piezoelectric properties against temperature are obtained.In a wide temperature range of 15-160° C,k_p of the(Na_(0.5)K_(0.5))NbO_3-0.5 mol% ScTaO_4 ceramic remains almost unchanged and d_(31) increases slightly from 59pC/N to 71pC/N.The deliquescent problem is effectively solved by the addition of ScTaO_4.The piezoelectric properties of ScTaO_4 modified(Na_(0.5)K_(0.5))NbO_3 ceramics show no obvious reduction and dielectric loss increases slightly after 120 h of immersion.From the analysis,it is suggested that the density is an important factor that improves the humidity resistance of the specimens.

  14. Crystal structure of a layered coordination polymer based on a 4(4) net containing Cd(2+) ions and 1,5-bis-(pyridin-4-yl)pentane linkers.

    Science.gov (United States)

    Harrison, William T A; Plater, M John; deSilva, Ben M deSilva; Foreman, Mark R St J

    2014-08-01

    The title compound, poly[[di-aqua-bis-[1,5-bis-(pyridin-4-yl)pentane-κ(2) N:N']cadmium] bis-(perchlorate) 1,5-bis-(pyridin-4-yl)pentane ethanol mono-solvate], [Cd(C15H18N2)2(H2O)2](ClO4)2·C15H18N2·C2H6O, is a layered coordination polymer built up from highly squashed 4(4) nets in which the octa-hedral trans-CdO2N4 nodes (Cd site symmetry -1) are linked by the bifunctional ligands, forming infinite (110) sheets. The cationic sheets are charge-balanced by inter-layer perchlorate ions. A free 1,5-bis-(pyridin-4-yl)pentane mol-ecule and an ethanol mol-ecule of crystallization are also found in the inter-sheet region. A number of O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds help to consolidate the layered structure.

  15. Synthesis, characterisation, stereochemistry and antimicrobial activity of 5 -piperazino- and 5-morpholinoacetyl-2,2,4-trimethyl-1, 5-benzodiazepines

    Indian Academy of Sciences (India)

    S Ponnuswamy; A Akila; D Deepa Rajakumari; V Shreevidhyaa Suressh; G Usha

    2015-11-01

    Three 1,5-benzodiazepines viz., 5-chloroacetyl-, 5-piperazinoacetyl- and N5 -morpholinoacetyl-2,2,4-trimethyl-1H-1,5-benzodiazepines have been synthesized. The structural characterisation and the conformational preferences of the compounds have been carried out using IR, 1D and 2D NMR spectral data. The NMR spectral data show that the -acetyltetrahydro-1,5-benzodiazepines prefer to exist in boat conformation with exo orientation of >C=O at 5 position in the solution state. The X-ray crystal structure of 5-morpholinoacetyl-2,2,4-trimethyl-1H-1,5-benzodiazepine also supports boat conformation in the solid state. The antimicrobial activity for -acetyltetrahydro-1,5-benzodiazepines have been carried out. -morpholinoacetyl-2,2,4-trimethyl-1H-1,5-benzodiazepine demonstrated better antibacterial and antifungal activities.

  16. Pyrazolopyridines as potent PDE4B inhibitors: 5-Heterocycle SAR

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, Charlotte J.; Ballantine, Stuart P.; Coe, Diane M.; Cook, Caroline M.; Delves, Christopher J.; Dowle, Mike D.; Edlin, Chris D.; Hamblin, J. Nicole; Holman, Stuart; Johnson, Martin R.; Jones, Paul S.; Keeling, Sue E.; Kranz, Michael; Lindvall, Mika; Lucas, Fiona S.; Neu, Margarete; Solanke, Yemisi E.; Somers, Don O.; Trivedi, Naimisha A.; Wiseman, Joanne O. (GSK)

    2012-05-03

    Following the discovery of 4-(substituted amino)-1-alkyl-pyrazolo[3,4-b]pyridine-5-carboxamides as potent and selective phosphodiesterase 4B inhibitors, [Hamblin, J. N.; Angell, T.; Ballentine, S., et al. Bioorg. Med. Chem. Lett.2008, 18, 4237] the SAR of the 5-position was investigated further. A range of substituted heterocycles showed good potencies against PDE4. Optimisation using X-ray crystallography and computational modelling led to the discovery of 16, with sub-nM inhibition of LPS-induced TNF-{alpha} production from isolated human peripheral blood mononuclear cells.

  17. 1-{[4'-(1H-1,2,4-Triazol-2-ium-1-ylmeth-yl)biphenyl-4-yl]meth-yl}-1H-1,2,4-triazol-2-ium bis-(3-carb-oxy-5-iodo-benzoate)-5-iodo-benzene-3,5-dicarb-oxy-lic acid-water (1/2/2).

    Science.gov (United States)

    Zhang, Kou-Lin; Deng, Ye; Ng, Seik Weng

    2012-05-01

    The neutral carb-oxy-lic acid mol-ecule and the carboxyl-ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (-)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively). In the cation, the mid-point of the C-C bond linking the two benzene rings lies on a center of inversion, and the triazole ring is approximately perpendicular to the adjacent benzene ring [dihedral angle = 83.2 (3)°]. In the crystal, the cations, anions, carb-oxy-lic acid and lattice water mol-ecules are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, generating a ribbon running along [1-10]. The crystal studied was a non-merohedral twin with the components in a 51.2 (1):48.8 (1) ratio.

  18. Retraction RETRACTION of "Efficacy and safety of nucleoside analogues in preventing vertical transmission of the hepatitis B virus from father to infant", by L.-H. Cao, P.-L. Zhao, Z.-M. Liu, S.-C. Sun, D.-B. Xu, J.-D. Zhang and Z.-H. Shao - Genet. Mol. Res. 14 (4): 15539-15546 (2015).

    Science.gov (United States)

    Cao, L-H; Zhao, P-L; Liu, Z-M; Sun, S-C; Xu, D-B; Zhang, J-D; Shao, Z-H

    2016-10-07

    The retracted article is: Cao L-H, Zhao P-L, Liu Z-M, Sun S-C, et al. (2015). Efficacy and safety of nucleoside analogues in preventing vertical transmission of the hepatitis B virus from father to infant. Genet. Mol. Res. 14: 15539-15546. The article published in Genetics and Molecular Research 14 (4): 15539-15546 (2015) is a very good paper, but it appears that the authors' group submitted this manuscript to multiple journals, which is ethical misconduct. This manuscript (similar language and identical data) was published in the Experimental and Therapeutic Medicine Journal prior to being submitted to GMR. There are parts copied from "Efficacy and safety of nucleoside analogs on blocking father-to-infant vertical transmission of hepatitis B virus", by Li-Hau Cao, Pei-Li Zhao, Zhi-Min Liu, Shao-Chun Sun, et al. Exp. Ther. Med. 9 (6): 2251-2256 (2015) - DOI: 10.3892/etm.2015.2379. The GMR editorial staff was alerted and after a thorough investigation, there is strong reason to believe that the peer review process was failure. Also, after review and contacting the authors, the editors of Genetics and Molecular Research decided to retract this article in accordance with the recommendations of the Committee on Publication Ethics (COPE). The authors and their institutions were advised of this serious breach of ethics.

  19. Photopyroelectric spectroscopic studies of ZnO-MnO(2)-Co(3)O(4)-V(2)O(5) ceramics.

    Science.gov (United States)

    Rizwan, Zahid; Zakaria, Azmi; Ghazali, Mohd Sabri Mohd

    2011-01-01

    Photopyroelectric (PPE) spectroscopy is a nondestructive tool that is used to study the optical properties of the ceramics (ZnO + 0.4MnO(2) + 0.4Co(3)O(4) + xV(2)O(5)), x = 0-1 mol%. Wavelength of incident light, modulated at 10 Hz, was in the range of 300-800 nm. PPE spectrum with reference to the doping level and sintering temperature is discussed. Optical energy band-gap (E(g)) was 2.11 eV for 0.3 mol% V(2)O(5) at a sintering temperature of 1025 °C as determined from the plot (ρhυ)(2)versushυ. With a further increase in V(2)O(5), the value of E(g) was found to be 2.59 eV. Steepness factor 'σ(A)' and 'σ(B)', which characterize the slope of exponential optical absorption, is discussed with reference to the variation of E(g). XRD, SEM and EDAX are also used for characterization of the ceramic. For this ceramic, the maximum relative density and grain size was observed to be 91.8% and 9.5 μm, respectively.

  20. 1,2-Bis[5-(4-cyanophenyl-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a photochromic diarylethene compound

    Directory of Open Access Journals (Sweden)

    Tianshe Yang

    2008-05-01

    Full Text Available The molecules of the title compound, C29H16F6N2S2, a photochromic dithienylethene with 4-cyanophenyl substituents, adopt an antiparallel arrangement that is reponsible for photoactivity. The molecule lies on a twofold rotation axis. The dihedral angle between the nearly planar cyclopentenyl and heteroaryl rings is 142.5 (3°, and that between the heteroaryl and benzene rings is 22.4 (3°. The distance between the heteroaryl rings of adjacent molecules is 3.601 (2 Å, indicating a π–π interaction.

  1. Reduction of 4(5)-Methylimidazole Using Cookie Model Systems.

    Science.gov (United States)

    Jung, Min-Chul; Kim, Mina K; Lee, Kwang-Geun

    2017-09-11

    The objective of this study was to determine the reduction of 4(5)-methylimidazole (4-MI) under various baking conditions. For 4-MI analysis, an analytical method using gas chromatography-mass spectrometry was developed. The developed method was validated with linearity (r(2) > 0.999), recovery (101% to 103%, 3 levels), and precision (1.5% to 4.3%, 3 levels). Limits of detection and quantification were 18.5 and 56.0 μg/kg, respectively. This method was used to monitor the level of 4-MI in 11 commercial cookies, which ranged from 71.5 to 1254.8 μg/kg. Time and temperature were modified in the cookie model system to reduce 4-MI. The largest reduction in 4-MI (56%) was achieved by baking at 140 °C for 8 min; however the cookies baked at this condition were not well accepted by consumers. With combination of consumer liking test result, baking cookies at 140 °C for 16 min is optimal for 4-MI reduction (28% reduction), while it has minimal impact on consumer acceptance. A strong correlation (r(2) = 0.9981) was found between caramel colorant and 4-MI in the cookie model system. © 2017 Institute of Food Technologists®.

  2. Landsat 4-5 Thematic Mapper V1

    Data.gov (United States)

    National Aeronautics and Space Administration — Abstract: The Landsat Thematic Mapper (TM) is a sensor carried onboard Landsats 4 and 5 and has acquired images of the Earth nearly continuously from July 1982 to...

  3. Medical Care and Your 4- to 5-Year-Old

    Science.gov (United States)

    ... of using car seats , closely watching kids around swimming pools , preventing poisoning , not smoking around kids, and using ... MORE ON THIS TOPIC Knowing Your Child's Medical History Fitness and Your 4- to 5-Year-Old ...

  4. 4,5-Diphenyl-1-methylimidazole: An Undergraduate Laboratory Experiment.

    Science.gov (United States)

    Anastas, Paul T.; And Others

    1985-01-01

    Background information and procedures used are provided for the synthesis of 4,5-diphenyl-methylimidazole. This experiment on the chemistry of heterocycles is ideally suited for beginning undergraduate organic chemistry students. (JN)

  5. 1, 3-Dipolar cycloaddition reactions: Synthesis of 5-benzyl-1-(2',4'-dibromophenyl)-3-(4"-substituted phenyl)-3a,4,6,6a-tetrahydro-1, 5-pyrrolo[3,4-]pyrazole-4,6-dione derivatives

    Indian Academy of Sciences (India)

    Manpreet Kaur; Baldev Singh; Baljit Singh

    2013-11-01

    1,3-Dipolar cycloaddition of nitrilimines 3 with -benzyl maleimide 4 has provided 5-benzyl-1-(2',4'-dibromophenyl)-3-(4"-substituted phenyl)-3a,4,6,6a-tetrahydro-1,5-pyrrolo[3,4-]pyrazole-4,6-dione derivatives 5 in excellent yield as the only isomer through a concerted pathway.

  6. Zr doping effect with low-cost solid-state reaction method to synthesize submicron Li4Ti5O12 anode material

    Science.gov (United States)

    Seo, Inseok; Lee, Cheul-Ro; Kim, Jae-Kwang

    2017-09-01

    To improve the electrochemical properties, fine Zr-doping Li4Ti5O12 anode materials for rechargeable lithium batteries with a uniform particle size distribution were synthesized by a modified solid-state reaction using fine Li2CO3 and TiO2 (anatase) powders as precursors with a Li:Ti molar ratio of 4:5. The use of fine Li2CO3 and TiO2 (anatase) powders as precursors prevented the formation of ZrO2 at 0.1 mol Zr-doping. XRD analysis revealed that the substitution of Zr for Ti leads to the increase of lattice parameters, allowing improved Li diffusion. The discharge capacity retention increased slightly with Zr-doping and the 0.1 mol Zr-doped Li4Ti5O12 electrode achieved 99% retention of discharge capacity.

  7. Profilin binding to sub-micellar concentrations of phosphatidylinositol (4,5) bisphosphate and phosphatidylinositol (3,4,5) trisphosphate

    DEFF Research Database (Denmark)

    Moens, Pierre D J; Bagatolli, Luis A

    2007-01-01

    its interaction with phosphatidylinositol 4,5-bisphosphate [PI(4,5)P(2)] and phosphatidylinositol 3,4,5-trisphosphate [PI(3,4,5)P(3)] (P.J. Lu, W.R. Shieh, S.G. Rhee, H.L. Yin, C.S. Chen, Lipid products of phosphoinositide 3-kinase bind human profilin with high affinity, Biochemistry 35 (1996) 14027......-14034). To date, profilin's interaction with polyphosphoinositides (PPI) has only been studied in micelles or small vesicles. Profilin binds with high affinity to small clusters of PI(4,5)P(2) molecules. In this work, we investigated the interactions of profilin with sub-micellar concentrations of PI(4,5)P(2......) and PI(3,4,5)P(3). Fluorescence anisotropy was used to determine the relevant dissociation constants for binding of sub-micellar concentrations of fluorescently labeled PPI lipids to profilin and we show that these are significantly different from those determined for profilin interaction with micelles...

  8. Synthesis of ethyl 8-fluoro-5,6-dihydro-5-(/sup 11/C)methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate (RO 15. 1788-/sup 11/C): a specific radioligand for the in vivo study of central benzodiazepine receptors by positron emission tomography

    Energy Technology Data Exchange (ETDEWEB)

    Maziere, M.; Hantraye, P.; Prenant, C.; Sastre, J.; Comar, D. (CEA, 91 - Orsay (France). Service Hospitalier Frederic Joliot)

    1984-10-01

    A method of labelling ethyl 8-fluoro-5,6-dihydro-5-(/sup 11/C) methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate (RO 15.1788 /sup 11/C), a benzodiazepine antagonist with carbon-11 has been developed. RO 15.1788-/sup 11/C was prepared by methylation of the nor derivative by I/sup 11/CH/sub 3/. About 100 mCi (maximum 153 mCi, 5.66 GBq) of the chemically and radiochemically pure labelled product were obtained within 25 min with a specific activity on average of 1100 mCi/..mu.. mol (maximum 1740 mCi/..mu..mol-64.4 GBq/..mu..mol). Preliminary results obtained after i.v. administration in the baboon have shown RO 15.1788-/sup 11/C to be of interest as a benzodiazepine radioligand for the in vivo study of benzodiazepine receptors by positron emission tomography.

  9. Synthesis of Some New 4,5-Substituted-4H-1,2,4-triazole-3-thiol Derivatives

    Directory of Open Access Journals (Sweden)

    A. Demirdağ

    2004-03-01

    Full Text Available In this study appropriate hydrazide compounds, furan-2-carboxylic acidhydrazide (1 and phenylacetic acid hydrazide (2 were converted into 1,4-substitutedthiosemicarbazides 4a-e and 5a-e and 4-amino-5-(furan-2-yl or benzyl-4H-1,2,4-triazole-3-thiols 7 and 10. The 1,4-substituted thiosemicarbazides were then converted into5-(furan-2-yl or benzyl-4-(aryl-4H-1,2,4-triazole-3-thiols 8a-e and 9a-e. In addition, theazomethines 11a-d and 12a-d were prepared from the corresponding arylaldehydes and the4-amino-5-(furan-2-yl or benzyl-4H-1,2,4-triazole-3-thiols 7 and 10. The structures of allthe synthesized compounds were confirmed by elemental analyses, IR, 1H-NMR and13 C-NMR spectra.

  10. Substitutional 4d and 5d impurities in graphene.

    Science.gov (United States)

    Alonso-Lanza, Tomás; Ayuela, Andrés; Aguilera-Granja, Faustino

    2016-08-21

    We describe the structural and electronic properties of graphene doped with substitutional impurities of 4d and 5d transition metals. The adsorption energies and distances for 4d and 5d metals in graphene show similar trends for the later groups in the periodic table, which are also well-known characteristics of 3d elements. However, along earlier groups the 4d impurities in graphene show very similar adsorption energies, distances and magnetic moments to the 5d ones, which can be related to the influence of the 4d and 5d lanthanide contraction. Surprisingly, within the manganese group, the total magnetic moment of 3 μB for manganese is reduced to 1 μB for technetium and rhenium. We find that compared with 3d elements, the larger size of the 4d and 5d elements causes a high degree of hybridization with the neighbouring carbon atoms, reducing spin splitting in the d levels. It seems that the magnetic adjustment of graphene could be significantly different if 4d or 5d impurities are used instead of 3d impurities.

  11. 2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl]-1,3,4-thiadiazole

    Directory of Open Access Journals (Sweden)

    Gabriel Partl

    2017-02-01

    Full Text Available The title compound, C18H8F26N2S3, was obtained by double S-perfluorohexylethylation of dipotassium 1,3,4-thiadiazole-2,5-dithiolate in methanol. The molecule exhibits twofold rotational symmetry, with the S atom lying on the rotation axis. The fluorocarbon chains adopt helical conformations and the F atoms of the two terminal C atoms are disordered over two sets of sites. No directional intermolecular interactions occur in the crystal.

  12. 1-(2,4-Di-nitro-phen-yl)-2-[(E)-(3,4,5-tri-meth-oxy-benzyl-idene)]hydrazine.

    Science.gov (United States)

    Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chidan Kumar, C S; Fun, Hoong-Kun

    2014-02-01

    Mol-ecules of the title compound, C16H16N4O7, are not planar with a dihedral angle of 5.50 (11)° between the substituted benzene rings. The two meta-meth-oxy groups of the 3,4,5-tri-meth-oxy-benzene moiety lie in the plane of the attached ring [Cmeth-yl-O-C-C torsion angles -0.1 (4)° and -3.7 (3)°] while the para-meth-oxy substituent lies out of the plane [Cmeth-yl-O-C-C, -86.0 (3)°]. An intra-molecular N-H⋯O hydrogen bond involving the 2-nitro substituent generates an S(6) ring motif. In the crystal structure, mol-ecules are linked by weak C-H⋯O inter-actions into screw chains, that are arranged into a sheet parallel to the bc plane. These sheets are connected by π-π stacking inter-actions between the nitro and meth-oxy substituted aromatic rings with a centroid-centroid separation of 3.9420 (13) Å. C-H⋯π contacts further stabilize the two-dimensional network.

  13. 5 CFR 1820.4 - Timing of responses to requests.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Timing of responses to requests. 1820.4 Section 1820.4 Administrative Personnel OFFICE OF SPECIAL COUNSEL FREEDOM OF INFORMATION ACT REQUESTS... knowledge and belief, explaining in detail the basis for requesting expedited processing. For example, a...

  14. Trigonal bipyramidal 5d-4f molecules with SMM behavior.

    Science.gov (United States)

    Saber, Mohamed R; Dunbar, Kim R

    2014-02-28

    A family of trigonal bipyramidal (TBP) 5d-4f cyanide bridged aggregates were synthesized that exhibit slow relaxation of the magnetization below 4 K as indicated by a signal in the out-of-phase ac susceptibility data under zero field.

  15. 5 CFR 2412.4 - Existence of records requests.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Existence of records requests. 2412.4 Section 2412.4 Administrative Personnel FEDERAL LABOR RELATIONS AUTHORITY, GENERAL COUNSEL OF THE FEDERAL... Existence of records requests. (a) An individual who desires to know if a system of records maintained...

  16. 41 CFR 101-5.104-4 - Scheduling feasibility studies.

    Science.gov (United States)

    2010-07-01

    ... FEDERAL BUILDINGS AND COMPLEXES 5.1-General § 101-5.104-4 Scheduling feasibility studies. The schedule of feasibility studies will be coordinated by GSA with its construction, space management, and buildings... 41 Public Contracts and Property Management 2 2010-07-01 2010-07-01 true Scheduling...

  17. 5 CFR 1632.4 - Meetings open to public observation.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Meetings open to public observation. 1632... PUBLIC OBSERVATION OF MEETINGS § 1632.4 Meetings open to public observation. (a) Except as provided in § 1632.5 of this part, every portion of every meeting of the agency shall be open to public observation...

  18. 28 CFR 55.5 - Coverage under section 4(f)(4).

    Science.gov (United States)

    2010-07-01

    ... 28 Judicial Administration 2 2010-07-01 2010-07-01 false Coverage under section 4(f)(4). 55.5 Section 55.5 Judicial Administration DEPARTMENT OF JUSTICE (CONTINUED) IMPLEMENTATION OF THE PROVISIONS OF THE VOTING RIGHTS ACT REGARDING LANGUAGE MINORITY GROUPS Nature of Coverage § 55.5 Coverage under...

  19. International comparison of a hydrocarbon gas standard at the picomol per mol level.

    Science.gov (United States)

    Rhoderick, George C; Duewer, David L; Apel, Eric; Baldan, Annarita; Hall, Bradley; Harling, Alice; Helmig, Detlev; Heo, Gwi Suk; Hueber, Jacques; Kim, Mi Eon; Kim, Yong Doo; Miller, Ben; Montzka, Steve; Riemer, Daniel

    2014-03-04

    Studies of climate change increasingly recognize the diverse influences of hydrocarbons in the atmosphere, including roles in particulates and ozone formation. Measurements of key nonmethane hydrocarbons (NMHCs) suggest atmospheric mole fractions ranging from low picomoles per mol (ppt) to nanomoles per mol (ppb), depending on location and compound. To accurately establish mole fraction trends and to relate measurement records from many laboratories and researchers, it is essential to have accurate, stable, calibration standards. In February of 2008, the National Institute of Standards and Technology (NIST) developed and reported on picomoles per mol standards containing 18 nonmethane hydrocarbon compounds covering the mole fraction range of 60 picomoles per mol to 230 picomoles per mol. The stability of these gas mixtures was only characterized over a short time period (2 to 3 months). NIST recently prepared a suite of primary standard gas mixtures by gravimetric dilution to ascertain the stability of the 2008 picomoles per mol NMHC standards suite. The data from this recent chromatographic intercomparison of the 2008 to the 2011 suites confirm a much longer stability of almost 5 years for 15 of the 18 hydrocarbons; the double-bonded alkenes of propene, isobutene, and 1-pentene showed instability, in line with previous publications. The agreement between the gravimetric values from preparation and the analytical mole fractions determined from regression illustrate the internal consistency of the suite within ±2 pmol/mol. However, results for several of the compounds reflect stability problems for the three double-bonded hydrocarbons. An international intercomparison on one of the 2008 standards has also been completed. Participants included National Metrology Institutes, United States government laboratories, and academic laboratories. In general, results for this intercomparison agree to within about ±5% with the gravimetric mole fractions of the hydrocarbons.

  20. An airborne gamma-ray spectrometry survey of nuclear sites in Belgium.

    Science.gov (United States)

    Sanderson, D C W; Cresswell, A J; Hardeman, F; Debauche, A

    2004-01-01

    As part of a wider study to define the existing background levels in Belgium an airborne gamma-ray survey was conducted in two areas associated with nuclear sites. In the Mol area, the survey zone included areas surrounding the SCK-CEN nuclear research centre, and its associated neighbourhood which includes radioactive waste stores, fuel manufacture and fabrication facilities and an international accelerator laboratory. In the vicinity of Fleurus, the survey included the IRE complex with radiochemical laboratories, irradiation facilities and stores, and isotope production accelerators. The survey was conducted using a twin engined helicopter equipped with a combined scintillation and semiconductor spectrometer. The system was installed and tested in the UK, and then transferred to Belgium for operations. The complete survey was conducted successfully within 1 week. The results provide a comprehensive record of the radiation environment of the nuclear sites at time of survey, and show a range of signals associated with the types of activity present in each area. They confirm that radiation fields are largely confined to the operational sites, and provide a traceable record against which future changes could be assessed. The demonstration of efficient deployment between two European countries, coupled with rapid mapping of many different radiometric signals around these sites confirms the utility of the airborne gamma spectrometry approach for accurate definition of enhanced radiation fields. This has important implications for emergency response.

  1. (1R,4R,6S,7S-5,5-Dichloro-1,4,8,8-tetramethyltricyclo[5.4.11,7.04,6]dodecan-12-one

    Directory of Open Access Journals (Sweden)

    Ahmed Benharref

    2013-11-01

    Full Text Available The title compound, C16H24Cl2O, was synthesized in three steps from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene, which was isolated from essential oil of the Atlas cedar (cedrus atlantica. The asymmetric unit contains two independent molecules with similar conformations. Each molecule is built up from two fused seven-membered rings and an additional three-membered ring arising from the reaction of himachalene with dichlorocarbene. The dihedral angles between the mean planes of the two seven-membered rings are 75.03 (9 and 75.02 (9° in the two independent molecules.

  2. Theoretical study on the reaction mechanism of formation of 3,5-diacetyl-1,4-dihydrolutidine

    OpenAIRE

    寺前, 裕之; Maruo, Yasuko Y.

    2013-01-01

    We have studied the reaction path of the formation of 3,5-diacetyl-1,4-dihydrolutidine (DL1), 3,5-dibenzoyl-1,4-dihydro-2,6-dimethylpyridine, and 2,6-dibenzoyl-1,4-dihydro-3,5-dimethylpyridine with the ab initio molecular orbital method at HF/3-21G and HF/6-31G(d,p) levels. For DL1, we also calculated at MP2/6-31G(d,p) level. The barrier heights of H2O elimination elementary reactions are ca. 50-60 kcal/mol and quite high in the gas phase, however, this is well agreed with the experimental re...

  3. (±-N-[4-Acetyl-5-methyl-5-(4-methylcyclohex-3-enyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

    Directory of Open Access Journals (Sweden)

    Ahmed Benharref

    2008-03-01

    Full Text Available The new title thiadiazole compound, C14H21N3O2S, was semi-synthesized starting from 1-(4-methylcyclohex-3-enylethanone, a natural product isolated from Cedrus atlantica essential oil. The stereochemistry has been confirmed by single-crystal X-ray diffraction. The thiadiazoline ring is roughly planar, although it may be regarded as having a half-chair conformation. The cyclohexenyl ring has a half-chair conformation. The most interesting feature is the formation of a pseudo-ring formed by four molecules associated through N—H...O hydrogen bonds around a fourfold inversion axis, forming an R44(28 motif.

  4. Achieving Millennium Development Goals 4 and 5 in Bangladesh.

    Science.gov (United States)

    Chowdhury, S; Banu, L A; Chowdhury, T A; Rubayet, S; Khatoon, S

    2011-09-01

    Bangladesh has made commendable progress in achieving Millennium Development Goals (MDGs) 4 and 5. Since 1990, there has been a remarkable reduction in maternal and child mortality, with an estimated 57% reduction in child mortality and 66% in maternal mortality. This review highlights that, whereas Bangladesh is on track for achieving MDG 4 and 5A, progress in universal access to reproductive health (5B) is not yet at the required pace to achieve the targets set for 2015. In addition, Bangladesh needs to further enhance activities to improve newborn health and promote skilled attendance at birth. © 2011 The Authors BJOG An International Journal of Obstetrics and Gynaecology © 2011 RCOG.

  5. Synthesis of Pd(C4H2O4)(C4H8N2)0.5 Complex and the Catalytic Activity for Oxidative Carbonylation of Phenol%配合物Pd(C4H2O4)(C4H8N2)0.5的合成及对苯酚的氧化羰基化的催化活性

    Institute of Scientific and Technical Information of China (English)

    程庆彦; 梁亚男; 高玲; 王延吉

    2008-01-01

    A novel complex Pd(C4H2O4)(C4H8N2)0.5 has been synthesized by solvent thermal synthesis and used as a heterogeneous catalyst for direct synthesis of diphenyl carbonate (DPC) by oxidative carbonylation of phenol. In the reaction system of Pd(C4H2O4)(C4H8N2)0.5/Cu(OAc)2/ tetrabutylammonium bromide/ hydroquinone/ 4A molecular sieves, the effect of reaction temperature, time and CO pressure on catalytic activity were investigated, and the results revealed that the catalyst could catalyze oxidative carbonylation of phenol effectively. Under suitable reaction conditions of T=90℃, t=4h, p(O2)=0.3 MPa, p(CO)=3.9 MPa and CH2Cl2 as solvent, the turnover number (TON) of diphenyl carbonate can reach about 13.50 (mol-DPC/mol-Pd), which is higher than the TON for pure PdCl2 under the same reaction conditions.

  6. PENGARUH RASIO MOL REAKTAN DAN LAMA SULFONASI TERHADAP KARAKTERISTIK METHYL ESTER SULFONIC (MES DARI METIL ESTER MINYAK SAWIT

    Directory of Open Access Journals (Sweden)

    Sri Hidayati

    2016-04-01

    Full Text Available An experiment of sulfonation process of methyl ester to produce methyl ester sulfonates (MES was caried out using methyl ester palm oil in factorial design and NaHSO as sulfonating agent with variation of ratio mol NaHSO : methyl ester (1:1.25, 1:1.5, 1:1.75 and 1:2 and sulfonation time (3 hour (L1, 4.5 hour (L2 and 6 hour (L3. The result showed that the best sulfonation condition present in 1:1,5 mol ratio and sulfonation time of 4,5 hour. The best characteristic of MES was produced emulsion stability of 68.25%, acid value of 2.57 mg KOH/g, iod value 10.91 g 1od/100 g sample, interfacial tension of 1.806 dyne/cm at MES concentration of 1% (w/w. The optimal salinity occured at concentration of 20.000 ppm which 1FT value of 0.0055 dyne/cm. Heating at a temperature of 800 C for 30 days with the addition of 2 3. Keywords: MES, sulfonation, NaHSO   ABSTRAK Sebuah penelitian tentang proses produksi metil ester sulfonat menggunakan bahan baku metil ester minyak kelapa sawit dilakukan secara faktorial menggunakan NaHSO sebagai agen pensulfonasi dengan variasi rasio mol NaHSO 1:1,25, 1:1,5, 1:1,75 dan 1:2 dan lama sulfonasi.dengan variasi 3; 45; dan 6 jam. Hasil penelitian menunjukkan bahwa kondisi proses sulfonasi terbaik terdapat pada rasio metil ester dan mol reaktan 1:1,5 dan  lama reaksi  4,5 jam dan suhu reaksi lOOoC yang menghasilkan nilai stabilitas emulsi 68,25%, bilangan asam 2,57 mg KOH/g sampel, bilangan iod 10,91 g 1od/100 g sampel. Konsentrasi metil ester sulfonat MES terbaik untuk menghasilkan 1FT terendah adalah 1% (b/b yaitu 1,806 dyne/cm, salinitas optimal terjadi pada 20.000 ppm NaCl dengan nilai 1FT 0,0055 dyne/cm. 0,098 dyne/cm. Kata kunci: MES, proses sulfonasi, NaHSO

  7. Synthesis 1, 3-bis (4-bromophenyl-5-isopropyl-1, 3, 5-triazacyclohexane

    Directory of Open Access Journals (Sweden)

    L. LEFRADA

    2015-03-01

    Full Text Available Condensation of an isopropylamine and an 4-bromoaniline with formaline in basic solution to give 1, 3-bis (4-bromophenyl-5- (isopropyl- 1, 3, 5- triazicyaclohexane. Through the interaction of rapid Schiff base, Structures of this compound have been elucidated by spectroscopic methods; IR, 1H NMR, 13C NMR. Their purities were confirmed by elemental analyses.

  8. Synthesis, Characterization and Thermal Properties of Energetic Compounds Derived from 3-Amino-4-(tetrazol-5-yl)furazan

    Institute of Scientific and Technical Information of China (English)

    Wang Bozhou; Zhang Guofang; Huo Huan; Fan Yanjie; Fan Xuezhong

    2011-01-01

    Five energetic compounds, 3,3-bis(tetrazol-5-yl)-4,4-azofurazan (DTZAF), 3-nitro-4-(tetrazol-5-yl)furazan (NTZF), hydrazinium 3-amino-4-(tetrazol-5-yl)furazan (HATZF), triaminoguanidinium 3-amino-4-(tetrazol-5-yl)furazan (TAGATZF) and guanylureaium 3-amino-4-(tetrazol-5-yl)furazan (MATZF), were prepared using 3-amino-4-(tetrazol-5-yl)furazan (ATZF) as starting material and their structures were characterized by FT-IR, 1H NMR, 13C NMR and elemental analysis. The properties of NTZF were estimated: density is 1.67 g/cm3, enthalpy of formation +415.41 kJ/mol and detonation velocity 8257.83 m/s. The main thermal properties of four compounds, DTZAF, HATZE TAGATZF and MATZF, were analyzed by TG and DSC techniques and the results showed that their melting points are 251.9, 159.7, 205.4 and 211.4 ℃, respectively, and their first decomposition temperatures are 256.7, 258.6, 231.7 and 268.6 ℃, respectively. The fact that their decomposition temperatures were over 230 ℃ showed that they exhibit better thermal stability.

  9. Facile and efficient synthesis of 5, 7-disubstituted thiazolo [5,4-d] pyrimidine-4, 6 (5H, 7H)-diones

    Institute of Scientific and Technical Information of China (English)

    Liang Chen; Zhan Mei Li; Jie Zhou; Hong Rui Song; Bai Ling Xu

    2012-01-01

    A facile and efficient approach was developed to access 5,7-disubstitued thiazolo[5,4-d]pyrimidine-4,6(5H,7H)-diones through condensation of N-substituted 5-amino-4-carbethoxythiazole with structurally diverse isocyanates in the presence of sodium hydride.The easy availability of substrates and tolerance of structural diversity in this reaction make it attractive to he used for constnuction of libraries in drug discovery process.

  10. Ab Initio Investigation on Structural, Elastic and Electronic Properties of η-Phase Cu4.5Ni1Au0.5Sn5 and Cu5Ni1Sn4.5In0.5 Intermetallic Compounds

    Science.gov (United States)

    Li, Xuezheng; Ma, Yong; Zhou, Wei; Wu, Ping

    2017-10-01

    The structural, elastic and electronic properties of quaternary intermetallic compounds η-Cu4.5Ni1Au0.5Sn5 and η-Cu5Ni1Sn4.5In0.5 are investigated by an ab initio method. The calculated heat of formation determines preferential occupancy sites for Ni, Au and In atoms which lead to thermodynamically stable compounds. Variation of lattice constants reveals that the change of atomic bonding has a directional discrepancy in η-Cu4.5Ni1Au0.5Sn5; the polycrystalline moduli obtained from single-crystal elastic stiffness show an increase after both Ni/Au and Ni/In additions. Also, the anisotropy of Young's modulus and shear modulus is significantly weakened in η-Cu4.5Ni1Au0.5Sn5. The density of states and maps of charge density distribution suggest that the atomic bonding in the quaternary intermetallic compounds is strengthened by the addition of Ni and Au but weakened by the addition of In.

  11. Vibrational and structural observations and molecular docking study on 1-{3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-ethanone

    Science.gov (United States)

    Parveen S, Shana; Al-Alshaikh, Monirah A.; Panicker, C. Yohannan; El-Emam, Ali A.; Narayana, B.; Saliyan, Vinutha V.; Sarojini, B. K.; Van Alsenoy, C.

    2016-05-01

    A combined experimental and theoretical analysis of on molecular structure, vibrational spectra and HOMO-LUMO analysis of 1-{3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-ethanone is reported. The equilibrium geometry and vibrational wavenumbers have been computed using desnity functional B3LYP method with 6-311++G(d) (5D, 7F) as basis set. The nonlinear optical properties were evaluated by the determination of the first and second hyperpolarizabilities of the title compound. HOMO is localized over the whole molecule except the ring PhIII and the CH3 groups attached to the PhIII while the LUMO is located through out the whole molecule except the CH3 groups attached with the PhIII and this shows that an eventual charge transfer occurs within the molecule. From the molecular electrostatic potential study, the negative electrostatic potential regions are mainly localized over the carbonyl group, phenyl rings and are possible sites for electrophilic attack and the positive regions are localized over the nitrogen atoms as possible sites for nucleophilic attack. The docked ligand title compound forms a stable complex with kinesin spindle protein (KSP) and gives a binding affinity value of -6.7 kcal/mol the results suggest that the compound might exhibit inhibitory activity against KSP.

  12. Simulering af ændret publikumsbelastning i Mols Bjerge

    DEFF Research Database (Denmark)

    Skov-Petersen, Hans; Foged, Mette

    2010-01-01

    Det kan være svært at forudse, hvad effekten af ændringer i adgangsforholdene til et naturområde vil blive. Dette Videnblad beskriver, hvordan en agent-baseret simuleringsmodel kan anvendes til vurdering af fremtiden ved flytning af en parkeringsplads ved trehøje i Mols Bjerge.......Det kan være svært at forudse, hvad effekten af ændringer i adgangsforholdene til et naturområde vil blive. Dette Videnblad beskriver, hvordan en agent-baseret simuleringsmodel kan anvendes til vurdering af fremtiden ved flytning af en parkeringsplads ved trehøje i Mols Bjerge....

  13. The 39th CERN School of Computing goes to Belgium: apply now!

    CERN Multimedia

    Alberto Pace, CSC Director

    2016-01-01

    Applications are now open for CERN’s 39th School of Computing. The CSC:2016 (see here) will take place from 28 August to 10 September 2016 in Mol, Belgium, in collaboration with SCK•CEN and the Vrije Universiteit Brussel.   The two-week programme consists of more than 50 hours of lectures and hands-on exercises, all on advanced, interesting and challenging computing topics. It covers three main themes: data technologies, base technologies and physics computing. In particular, we will explore: Many-core performance optimisation Concurrent programming Key aspects of multi-threading Writing code for tomorrow’s hardware today Storage technologies, reliability and performance Cryptography, authentication, authorisation and accounting Data replication, caching, monitoring, alarms and quota Writing secure software Observing software with an attacker's eyes Software engineering for physics computing Statistical methods and pr...

  14. Convenient synthesis of (4R,5R)-4,5-bis(aminomethyl)-2-isopropyl- 1,3-dioxolane

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A convenient approach for the preparation of (4R,5R)-4,5-bis(aminomethyl)-2-isopropyl-l,3-dioxolane is described. The target compound via two steps is synthesized from diethyl-2,3-O-isobutylidene-D-tartrate, through ammonolysis and reduction.(C) 2007 De Cai Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  15. Extraction of Cesium from the Irradiated Nuclear Waste by 4(5),4'(5')-Bis[1-hydroxyalkylbenzo]-21-crown-7

    Institute of Scientific and Technical Information of China (English)

    Ying DU; Wen Jun CHEN; Sheng Ying QIN

    2004-01-01

    4(5),4'(5')-Bis[l-hydroxyalkylbenzo]-21-crown-7 (A-C) have been synthesized by two-step reactions from dibenzo-21-crown-7 (DB21C7). Extraction of cesium cation from nitric acid solutions by A-C has been investigated in nitromethane. Under the conditions of various concentration of HNO3 or NaNO3, the extractabilities of A and B were superior to that of DB21C7.

  16. A Novel Photochemical Reaction of 4-Bromo-3-methyl-1-phenyl-4,5-dihydro-pyrazol-5-one

    Institute of Scientific and Technical Information of China (English)

    LI,Xiao-Liu(李小六); SONG,Zhi-Yi(宋志毅); MENG,Ji-Ben(孟继本)

    2004-01-01

    UV-Irradiation of 4-bromo-3-methyl-l-phenyl-4,5-dihydro-pyrazol-5-one (1) in the presence of various aromatic hydrocarbons gave different types of photoproducts depending on the nature of the hydrocarbons via an electron-transfer mechanism. In the presence of naphthalene or phenanthrene a photochemical homocoupling reaction of 1 occurred to form 2 or 2 and 3, respectively.

  17. Two tautomers in the same crystal: 3-(4-fluoro-phen-yl)-1H-pyrazole and 5-(4-fluoro-phen-yl)-1H-pyrazole.

    Science.gov (United States)

    Yamuna, Thammarse S; Kaur, Manpreet; Jasinski, Jerry P; Anderson, Brian J; Yathirajan, H S

    2014-09-01

    The title co-crystal, 3-(4-fluoro-phen-yl)-1H-pyrazole-5-(4-fluoro-phen-yl)-1H-pyrazole (1/1), C9H7FN2, crystallizes with four independent mol-ecules (A, B, C and D) in the asymmetric unit exhibiting two tautomeric forms (A and D; B and C) due to N-H proton exchange between the two N atoms of the pyrazole ring. The dihedral angles between the mean planes of the pyrazole and benzene rings are 15.6 (1), 19.8 (9), 14.0 (1) and 10.7 (7)° in mol-ecules A, B, C and D, respectively. In the crystal, N-H⋯N hydrogen bonds link the four mol-ecules in the asymmetric unit into a ring with an R 4 (4)(12) motif. Furthermore, weak C-H⋯F inter-actions link the mol-ecules into a three-dimensional network.

  18. Topological wave functions and the 4D-5D lift

    CERN Document Server

    Gao, Peng

    2008-01-01

    We revisit the holomorphic anomaly equations satisfied by the topological string amplitude from the perspective of the 4D-5D lift, in the context of ``magic'' N=2 supergravity theories. In particular, we interpret the Gopakumar-Vafa relation between 5D black hole degeneracies and the topological string amplitude as the result of a canonical transformation from 4D to 5D charges. Moreover we use the known Bekenstein-Hawking entropy of 5D black holes to constrain the asymptotic behavior of the topological wave function at finite topological coupling but large K\\"ahler classes. In the process, some subtleties in the relation between 5D black hole degeneracies and the topological string amplitude are uncovered, but not resolved. Finally we extend these considerations to the putative one-parameter generalization of the topological string amplitude, and identify the canonical transformation as a Weyl reflection inside the 3D duality group.

  19. Synthesis of 3-cyano-4-aryl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyridine-2-thiones

    Energy Technology Data Exchange (ETDEWEB)

    Krauze, A.A.; Liepin' sh, E.E.; Pelcher, Yu.E.; Kalme, Z.A.; Dipan, I.V.; Dubur, G.Ya.

    1985-12-01

    The condensation of ethyl arylidenacetoacetate with cyanothioacetamide and of arylidenecyanothioacetamides with ethyl acetoacetate or of arylidenecyanothioacetamides with ethyl ..beta..-aminocrotonate gave 3-cyano-4-aryl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyridine-2-thiones. PMR spectroscopy showed that the 3-cyano-4-aryl-3,4-dihydro-pyridine-2-thiones are formed as a mixture of cis and trans isomers.

  20. 纳米结晶体Ni0.5Zn0.5Fe2O4对高氯酸铵热行为及分解反应动力学的影响%Effect of Nanocrystal Ni0.5Zn0.5Fe2O4 on Thermal Behavior and Decomposition Reaction Kinetics of Ammonium Perchlorate

    Institute of Scientific and Technical Information of China (English)

    仪建华; 赵凤起; 胡荣祖; Gurdip Singh

    2008-01-01

    采用差示扫描量热法(DSC)、热重和微分热重(TG-DTG)及固相原位反应池/快速扫描傅立叶变换红外联用技术(hyphenated in situ thermolysis/RSFTIR)研究了纳米结晶体Ni0.5Zn0.5Fe2O4与高氯酸铵(AP)组成的混合物的热行为和分解反应动力学.结果表明:Ni0.5Zn0.5Fe2O4使得AP的低、高温分解放热峰温分别提前17.44 K和27.74 K,并使得对应的分解热分别增加3.7 J·g-1和193.7 J·g-1.Ni0.5Zn0.5Fe2O4并不影响AP的晶转温度和晶转热.Ni0.5Zn0.5Fe2O4使得AP的TG曲线出现3个阶段,并使得后2个失重阶段的初始和终止温度都有所提前.凝聚相分解产物分析表明Ni0.5Zn0.5Fe2O4加速了凝聚相AP的分解及氨气的释放.含Ni0.5Zn0.5Fe2O4的AP的高温分解反应的动力学参数Ea=238.88 kJ·mol-1,A=1018.59 s-1,动力学方程可表示为dα/dt=1018.99(1-α)[-ln(1-α)]3/5e-2.87.始点温度(Te)和峰顶温度(Tp)计算得出AP的热爆炸临界温度值分别为:574.83 K和595.41 K.分解反应的活化熵(△S≠)、活化焓(△H≠)和活化能(△G≠)分别为:109.61 J·mol-1·K-1、236.49 kJ·mol-1及172.58 kJ·mol-1.%The thermal behavior and non-isothermal decomposition reaction kinetics of the mixture of the nanocrystal Ni0.5Zn0.5Fe2O4 and ammonium perchlorate (AP) were investigated by differential scanning calorimetry(DSC), thermogravimetry and differential thermogravimetry (TG-DTG), and the hyphenated technique of in situ thermolysis cell with rapid-scan Fourier transform infrared spectroscopy (in situ thermolysis/RSFTIR). The results show that Ni0.5Zn0.5Fe2O4 can decrease the low-temperature and the high-temperature exothermic peak temperatures of AP by 17.44 K and 27.74 K, respectively, and increase the decomposition heats of the two exothermic peaks by of AP. Ni0.5Zn0.5Fe2O4 makes AP shown three mass-loss processes, and it can decrease the initial and terminated temperatures of the last two mass-loss stages. The condensed phase decomposition product

  1. Genetic variation in 5-hydroxytryptamine transporter expression causes adaptive changes in 5-HT4 receptor levels

    DEFF Research Database (Denmark)

    Jennings, Katie Ann; Licht, Cecilie Löe; Bruce, Aynsley

    2012-01-01

    +/+ mice in all brain regions. Compared to wild-type (WT) littermate controls, 5-HTT OE mice had increased 5-HT4 binding density across all brain regions, except amygdala (118-164% of WT) and this difference between genotypes was reduced by the 5-HTT inhibitor, fluoxetine (20 mg/kg twice daily, 3 d...

  2. Discontinuity networks in mud stones: an apparent contradiction for boom clay at Mol, opalinus clay at Mont Terri, Callovo-Oxfordian silty clay at Bure

    Energy Technology Data Exchange (ETDEWEB)

    Arnould, M. [Centre de Geologie de l' Ingenieur, 75 - Paris (France); Mazurek, M. [Bern Univ., Rock-Water Interaction, Institute of Geological Sciences (Switzerland); Vandenberghe, N. [Katholieke Universiteit (KU), Lab. voor stratigrafie Leuven (Belgium)

    2005-07-01

    The Rupelian Boom Clay at Mol, Belgium, the lower Aalenian Opalinus Clay at Mont Terri Switzerland and the Callovo-Oxfordian silty clay at Bure, France, are currently studied in the framework of deep geological radioactive waste confinement. These three mud-stones are calcareous to variable degrees. They vary from plastic clay at Mol to hard rock at Bure. All three have similar mineralogical constituents, especially with regards to the clay minerals and include mixed layers of illite and montmorillonite. Remarkably, in outcrop sections of massive clay formations and mud-stone in general, it is very common to observe a network of discontinuities resembling the jointing in hard rock. As such jointing clearly would influence underground works it is imperative to examine whether or not the three mud-rock formations under discussion have such a discontinuity network in all their mass. (authors)

  3. Sm1.5Sr0.5MO4 (M=Ni,Co,Fe) Cathode Catalysts for Ammonia Synthesis at Atmospheric Pressure and Low Temperature

    Institute of Scientific and Technical Information of China (English)

    XU,Gaochao; LIU,Ruiquan

    2009-01-01

    Sm1.5Sr0.5MO4 (M=Ni,Co,Fe) (SSM) catalysts were prepared by a sol-gel method and characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM).Ammonia was synthesized from wet hydrogen and dry nitrogen at atmospheric pressure and low temperature (25-100 ℃) with applied voltage,using SSM as a cathode,Ni-Ce0.5Sm0.2O2-δ(Ni-SDC) as an anode,and silver-platinum film as a current collector,Nation proton exchange membrane as a proton permeating membrane.Several important factors on ammonia synthesis were investigated and the optimal synthetic temperature was found,at which the highest rate of evolution of ammonia was up to 1.05×10-8 mol·cm- 2·S-1.

  4. hMSH4-hMSH5 Adenosine Nucleotide Processing and Interactions with Homologous Recombination Machinery*

    Science.gov (United States)

    Snowden, Timothy; Shim, Kang-Sup; Schmutte, Christoph; Acharya, Samir; Fishel, Richard

    2010-01-01

    We have previously demonstrated that the human heterodimeric meiosis-specific MutS homologs, hMSH4-hMSH5, bind uniquely to a Holliday Junction and its developmental progenitor (Snowden, T., Acharya, S., Butz, C., Berardini, M., and Fishel, R. (2004) Mol. Cell 15, 437–451). ATP binding by hMSH4-hMSH5 resulted in the formation of a sliding clamp that dissociated from the Holliday Junction crossover region embracing two duplex DNA arms. The loading of multiple hMSH4-hMSH5 sliding clamps was anticipated to stabilize the interaction between parental chromosomes during meiosis double-stranded break repair. Here we have identified the interaction region between the individual subunits of hMSH4-hMSH5 that are likely involved in clamp formation and show that each subunit of the heterodimer binds ATP. We have determined that ADP → ATP exchange is uniquely provoked by Holliday Junction recognition. Moreover, the hydrolysis of ATP by hMSH4-hMSH5 appears to occur after the complex transits the open ends of model Holliday Junction oligonucleotides. Finally, we have identified several components of the double-stranded break repair machinery that strongly interact with hMSH4-hMSH5. These results further underline the function(s) and interactors of hMSH4-hMSH5 that ensure accurate chromosomal repair and segregation during meiosis. PMID:17977839

  5. N-[4-Acetyl-5-(2-methylprop-1-enyl-5-(2-p-tolylpropyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

    Directory of Open Access Journals (Sweden)

    Noureddine Mazoir

    2009-06-01

    Full Text Available The title heterocyclic compound, C20H27N3O2S, was synthesized from 2-(4-methylcyclohex-3-enyl-6-methylhepta-2,5-dien-4-one, which was isolated from the essential oil Cedrus atlantica. The thiadiazole ring is essentially planar [maximum deviation 0.006 (2 Å] and it forms a dihedral angle of 18.08 (9° with the benzene ring. The dihedral angle between the thiadiazole ring and the acetamide plane is 7.62 (10°. In the crystal, molecules are linked into chains running along the c axis by intermolecular N—H...O hydrogen bonds.

  6. Development and verification of a real-time stochastic precipitation nowcasting system for urban hydrology in Belgium

    Directory of Open Access Journals (Sweden)

    L. Foresti

    2015-07-01

    Full Text Available The Short-Term Ensemble Prediction System (STEPS is implemented in real-time at the Royal Meteorological Institute (RMI of Belgium. The main idea behind STEPS is to quantify the forecast uncertainty by adding stochastic perturbations to the deterministic Lagrangian extrapolation of radar images. The stochastic perturbations are designed to account for the unpredictable precipitation growth and decay processes and to reproduce the dynamic scaling of precipitation fields, i.e. the observation that large scale rainfall structures are more persistent and predictable than small scale convective cells. This paper presents the development, adaptation and verification of the system STEPS for Belgium (STEPS-BE. STEPS-BE provides in real-time 20 member ensemble precipitation nowcasts at 1 km and 5 min resolution up to 2 h lead time using a 4 C-band radar composite as input. In the context of the PLURISK project, STEPS forecasts were generated to be used as input in sewer system hydraulic models for nowcasting urban inundations in the cities of Ghent and Leuven. Comprehensive forecast verification was performed in order to detect systematic biases over the given urban areas and to analyze the reliability of probabilistic forecasts for a set of case studies in 2013 and 2014. The forecast biases over the cities of Leuven and Ghent were found to be small, which is encouraging for future integration of STEPS nowcasts into the hydraulic models. Probabilistic forecasts of exceeding 0.5 mm h-1 are reliable up to 60–90 min lead time, while the ones of exceeding 5.0 mm h-1 are only reliable up to 30 min. The STEPS ensembles are slightly under-dispersive and represent only 80–90 % of the forecast errors.

  7. Neonatal thyroid-stimulating hormone concentrations in Belgium: a useful indicator for detecting mild iodine deficiency?

    Directory of Open Access Journals (Sweden)

    Stefanie Vandevijvere

    Full Text Available It has been proposed that neonatal thyroid-stimulating hormone (TSH concentrations are a good indicator of iodine deficiency in the population. A frequency of neonatal TSH concentrations above 5 mU/L below 3% has been proposed as the threshold indicating iodine sufficiency. The objective of the present study was to evaluate feasibility and usefulness of nation-wide neonatal TSH concentration screening results to assess iodine status in Belgium. All newborns born in Belgium during the period 2009-2011 (n = 377713 were included in the study, except those suffering from congenital hypothyroidism and premature neonates. The frequency of neonatal TSH concentrations above 5 mU/L from 2009 to 2011 in Belgium fluctuated between 2.6 and 3.3% in the centres using the same TSH assay. There was a significant inverse association between neonatal TSH level and birth weight. The longer the duration between birth and screening, the lower the TSH level. Neonatal TSH levels were significantly lower in winter than in spring or autumn and significantly lower in spring and summer than in autumn while significantly higher in spring compared to summer. In conclusion, despite that pregnant women in Belgium are mildly iodine deficient, the frequency of neonatal TSH concentrations above 5 mU/L was very low, suggesting that the neonatal TSH threshold proposed for detecting iodine deficiency needs to be re-evaluated. Although neonatal TSH is useful to detect severe iodine deficiency, it should not be recommended presently for the evaluation of iodine status in mildly iodine deficient regions.

  8. Crystal structure of a 2:1 piroxicam–gentisic acid co-crystal featuring neutral and zwitterionic piroxicam mol­ecules

    Science.gov (United States)

    Horstman, Elizabeth M.; Bertke, Jeffery A.; Woods, Toby J.; Kenis, Paul J. A.

    2016-01-01

    A new 2:1 co-crystal of piroxicam and gentisic acid [systematic name: 4-hy­droxy-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ6,2-benzo­thia­zine-3-carboxamide–2-(4-oxido-1,1-dioxo-2H-1λ6,2-benzo­thia­zine-3-amido)­pyridin-1-ium–2,5-di­hydroxy­benzoic acid, 2C15H13N3O4S·C7H6O4] has been synthesized using a microfluidic platform and initially identified using Raman spectroscopy. In the co-crystal, one piroxicam mol­ecule is in its neutral form and an intra­molecular O—H⋯O hydrogen bond is observed. The other piroxicam mol­ecule is zwitterionic (proton transfer from the OH group to the pyridine N atom) and two intra­molecular N—H⋯O hydrogen bonds occur. The gentisic acid mol­ecule shows whole-mol­ecule disorder over two sets of sites in a 0.809 (2):0.191 (2) ratio. In the crystal, extensive hydrogen bonding between the components forms layers propagating in the ab plane. PMID:27980814

  9. Crystal structure of a 2:1 piroxicam-gentisic acid co-crystal featuring neutral and zwitterionic piroxicam mol-ecules.

    Science.gov (United States)

    Horstman, Elizabeth M; Bertke, Jeffery A; Woods, Toby J; Kenis, Paul J A

    2016-12-01

    A new 2:1 co-crystal of piroxicam and gentisic acid [systematic name: 4-hy-droxy-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ(6),2-benzo-thia-zine-3-carboxamide-2-(4-oxido-1,1-dioxo-2H-1λ(6),2-benzo-thia-zine-3-amido)-pyridin-1-ium-2,5-di-hydroxy-benzoic acid, 2C15H13N3O4S·C7H6O4] has been synthesized using a microfluidic platform and initially identified using Raman spectroscopy. In the co-crystal, one piroxicam mol-ecule is in its neutral form and an intra-molecular O-H⋯O hydrogen bond is observed. The other piroxicam mol-ecule is zwitterionic (proton transfer from the OH group to the pyridine N atom) and two intra-molecular N-H⋯O hydrogen bonds occur. The gentisic acid mol-ecule shows whole-mol-ecule disorder over two sets of sites in a 0.809 (2):0.191 (2) ratio. In the crystal, extensive hydrogen bonding between the components forms layers propagating in the ab plane.

  10. 4-[(3-Phenyl-4,5-dihydroisoxazol-5-ylmethyl]-2H-benzo[b][1,4]thiazin-3(4H-one

    Directory of Open Access Journals (Sweden)

    Nada Kheira Sebbar

    2016-06-01

    Full Text Available In the title compound, C18H16N2O2S, the 5-dihydroisoxazol-5-yl ring and its phenyl substituent are nearly coplanar, with the largest deviation from the mean plane being 0.0184 (16 Å. The thiomorpholin-3-one ring adopts a screw-boat conformation and the attached benzene ring makes a dihedral angle of 42.26 (7° with the mean plane through the 3-phenyl-4,5-dihydroisoxazol-5-yl ring system. In the crystal, molecules are linked by pairs of C—H...N hydrogen bonds, forming inversion dimers. These dimers are linked via C—H...O hydrogen bonds, generating a three-dimensional network.

  11. High potential durability of LiNi0.5Mn1.5O4 electrodes studied by surface sensitive X-ray absorption spectroscopy

    Science.gov (United States)

    Kawaura, Hiroyuki; Takamatsu, Daiko; Mori, Shinichiro; Orikasa, Yuki; Sugaya, Hidetaka; Murayama, Haruno; Nakanishi, Kouji; Tanida, Hajime; Koyama, Yukinori; Arai, Hajime; Uchimoto, Yoshiharu; Ogumi, Zempachi

    2014-01-01

    Phenomena at electrode/electrolyte interface of LiNi0.5Mn1.5O4 are studied by in situ total-reflection fluorescence X-ray absorption spectroscopy (TRF-XAS), ex situ X-ray photoelectron spectroscopy (XPS), and electrochemical tests. Flat and well-defined thin films of LiNi0.5Mn1.5O4 prepared by pulsed laser deposition (PLD) are used as model electrodes to facilitate the observation of the interface. The thin-film LiNi0.5Mn1.5O4 electrode showed good cycling characteristics at around 4.7 V vs. Li/Li+. The TRF-XAS measurements reveal that nickel and manganese species at the surface have almost the same chemical states and local environments as those in the bulk when in contact with organic electrolyte solutions (1 mol dm-3 LiClO4 in a 1:1 volumetric mixture of ethylene carbonate and diethyl carbonate). This is in sharp contrast to the behavior of a LiCoO2 electrode, in which the surface cobalt species is irreversibly reduced by soaking to the organic electrolyte solutions, leading to gradual material deterioration during the delithiation/lithiation cycling (D. Takamatsu et al., Angew. Chem. Int. Edit., 51 (2012) 11597). It is suggested that the electrolyte decomposition products detected by XPS form a protective layer to restrict the reduction of the surface species of LiNi0.5Mn1.5O4, leading to good cycling characteristics of LiNi0.5Mn1.5O4 in spite of its high operating potential.

  12. Interaction between the sodium channel inactivation linker and domain III S4-S5.

    Science.gov (United States)

    Smith, M R; Goldin, A L

    1997-10-01

    The III-IV linker (L(III-IV)) of the rat brain sodium channel is critical for fast inactivation, possibly forming a fast inactivation particle. Inactivation can be disrupted by mutation of a conserved alanine at position 1329 in the S4-S5 loop of domain III. Combination of a charged mutation at 1329 with a compensatory (opposite) charge mutation at position 1489 in L(III-IV) partially restores inactivation of the channel. The compensatory charge mutant channel has a single-channel mean open time that is similar to that of the wild-type channel and is approximately 50 times shorter than that of the L(III-IV) mutant channel. The results of thermodynamic cycle analysis indicate that the mutations in domain III S4-S5 and L(III-IV) have a coupling energy of 2.8 kcal/mol, indicating that the two mutations act interdependently. These data suggest that L(III-IV) interacts directly with A1329, which may form part of the docking site if L(III-IV) is a fast inactivation particle.

  13. Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate

    Science.gov (United States)

    Seredyuk, Maksym; Pavlenko, Vadim A.; Znovjyak, Kateryna O.; Gumienna-Kontecka, Elzbieta; Penkova, Larysa

    2012-01-01

    In the title compound, 2C10H15N4Se+·Cl−·OH−, a singly protonated mol­ecule of the organic selenide participates in hydrogen bonding with neighboring mol­ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C—Se—C angle of 102.13 (15)°. π–π stacking inter­actions are observed between the closest pyrazole rings of neighboring chains [centroid–centroid distance = 3.888 (1) Å] and hydrogen bonding occurs through bridging chloride anions and hydroxide groups. Additionally, O—H⋯Cl hydrogen bonds are formed. PMID:22807889

  14. Preparation and properties of InAs 50 mol%-CuInSesub(2) 50 mol% alloy

    Energy Technology Data Exchange (ETDEWEB)

    Al-Douri, A.A.J. [University of Baghdad (Iraq). College of Science; Hasoon, F.S.; Kazmerski, L.L. [National Renewable Energy Laboratory, Golden, CO (United States)

    1998-01-01

    Continuing our search on semiconducting compounds and alloys, the InAs 50 mol%-CuInSesub(2) 50 mol% alloy was investigated. Both InAs and CuInSe are adamantine which satisfies the four electron per atom rule. A large single crystal ingot was carefully prepared using the vertical Bridgmans method. The specimen was examined by room temperature and temperature dependence X-ray powder photography, Electron Probe Microanalysis (EPMA), Differential Thermal Analysis (DTA), and Vickers hardness test. (author)

  15. Crystal structure of dimethyl 2,5-bis-[(di-phen-oxy-phosphor-yl)-oxy]cyclo-hexa-1,4-diene-1,4-di-carboxyl-ate.

    Science.gov (United States)

    Gao, Lei; Ma, Zongshan; Yan, Hong

    2015-06-01

    In the title compound, C34H30O12P2, which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo-hexa-nedi-carboxyl-ate with diphenyl chloro-phosphate, the mol-ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo-hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0 (1) and 89.5 (1)°, while that with the ester group is 3.1 (3)°. In the crystal, only weak inter-molecular C-H⋯O hydrogen bonds are present.

  16. Urinary 4-hydroxy-3-methoxymandelic (vanillylmandelic) acid, 4-hydroxy-3-methoxyphenylacetic (homovanillic) acid, and 5-hydroxy-3-indoleacetic acid determined by liquid chromatography with electrochemical detection.

    Science.gov (United States)

    Fujita, K; Maruta, K; Ito, S; Nagatsu, T

    1983-05-01

    We describe a simple liquid-chromatographic assay of urinary 4-hydroxy-3-methoxymandelic (vanillylmandelic) acid, 4-hydroxy-3-methoxyphenylacetic (homovanillic) acid, and 5-hydroxy-3-indoleacetic acid with electrochemical detection, with direct injection of the sample. The first two analytes are measured simultaneously; 5-hydroxy-3-indoleacetic acid is measured separately. Chromatographic conditions for assay of the three were: column temperature, 65 and 60 degrees C; mobile phase, potassium phosphate buffer (0.2 mol/L, pH 3.0) for 6 min, then potassium phosphate buffer plus acetonitrile (9/1 by vol) for 20 min; flow rate, 0.7 mL/min; oxidation potential, 600 and 450 mV vs an Ag/AgCl reference electrode; and sensitivity, 40 and 160 nA at full scale. Values so obtained agreed well with those obtained for samples that were first solvent-extracted.

  17. Crystal structure of 4′-bromo-2′,5′-dimeth­oxy-2,5-dioxo-[1,1′-biphen­yl]-3,4-dicarbo­nitrile [BrHBQ(CN)2] benzene hemisolvate

    Science.gov (United States)

    Meany, Joseph E.; Gerlach, Deidra L.; Papish, Elizabeth T.; Woski, Stephen A.

    2016-01-01

    In the crystal of the title compound, C16H9BrN2O4·0.5C6H6, the mol­ecules stack in a centrosymmetric unit cell in a 2:1 stoichiometry with co-crystallized benzene solvent mol­ecules and inter­act via various weak inter­actions. This induces a geometry different from that predicted by theory, and is unique among the hemibi­quinones heretofore reported. PMID:27375897

  18. Synthesis and Characterization of 2,2'-Dinitramino-5,5'-bi(1-oxa-3,4-diazole) and Derivatives as Economic and Highly Dense Energetic Materials.

    Science.gov (United States)

    Hermann, Tobias S; Karaghiosoff, Konstantin; Klapötke, Thomas M; Stierstorfer, Jörg

    2017-09-07

    2,2'-Dinitramino-5,5'-bi(1-oxa-3,4-diazole) (2) is a new highly energetic material with superior calculated detonation performance in comparison to cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX) and penta-erythritoltetranitrate (PETN) and can be prepared by an economical and practical two-step synthesis. The starting material 2,2'-diamino-5,5'-bi(1-oxa-3,4-diazole) (1) is synthesized by the reaction of oxalyl dihydrazide with cyanogen bromide. Nitration of 1 yields the title compound in perfect yield and purity. The combination of its high density of 1.986 g cm(-3) , the positive heat of formation (+190 kJ mol(-1) ), and a slightly positive oxygen balance (+6.2 %) results in ideal calculated detonation parameters (e.g. detonation velocity 9296 m s(-1) ). The sensitivities toward impact and friction can be adjusted by deprotonation and formation of corresponding nitrogen-rich salts, for example, ammonium (3), hydroxylammonium (4), and guanidinium (5) salts. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. (4R,7S-2-Amino-4-(3,4-dimethoxyphenyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate

    Directory of Open Access Journals (Sweden)

    Rong Sun

    2012-02-01

    Full Text Available The title compound, C24H22N2O4·H2O, was obtained by the reaction of 3,4-dimethoxybenzaldehyde, malononitrile and 5-phenylcyclohexane-1,3-dione. The cyclohexyl and pyran rings show half-boat and V-shaped conformations, respectively. The dihedral angle between the phenyl and benzene ring planes is 30.67 (9°. The organic molecules are packed in a two-dimensional network parallel to the bc plane stabilized by intermolecular N—H...N and N—H...O hydrogen bonds.

  20. Crystal structure of 2-amino-4-(4-chlorophenyl-1-(4-methylphenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

    Directory of Open Access Journals (Sweden)

    Shaaban K. Mohamed

    2015-12-01

    Full Text Available In the title compound, C23H20ClN3O, each of the cyclohexene and 1,4-dihydropyridine rings of the 1,4,5,6,7,8-hexahydroquinoline ring system adopts a twisted-boat conformation. The dihedral angle between the two benzene rings is 11.52 (7°. In the crystal, molecules are linked through a pair of amino–nitrile N—H...N hydrogen bonds, forming inversion dimers. These assemble into a three-dimensional network via C—H...O and C—H...π interactions.

  1. RFLPs in the fibroblast growth factor receptor-4 locus (FGFR4) in 5q33-qter

    Energy Technology Data Exchange (ETDEWEB)

    Armstrong, E.; Haestbacka, J.; Partanen, J.; Alitalo, K. (Univ. of Helsinki (Finland)); Huebner, K. (Temple Univ., Philadelphia, PA (United States))

    1991-09-25

    A 2.7 kb cDNA insert of clone HE6-2, HE6-2 identifies a single four allele EcoRI polymorphism with 4.7 (allele A1), 4.5 (allele A2), 4.2 (allele A3) and 4.0 kb (allele A4). This clone also identifies PstI, SstI and TaqI polymorphisms. Codominant segregation of the RFLP was observed in 14 two generation families.

  2. 4-{3-[Hydroxy(phenylmethyl]-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl}benzenesulfonamide

    Directory of Open Access Journals (Sweden)

    Mehmet Akkurt

    2010-04-01

    Full Text Available In the title compound, C15H14N4O3S2, the hydroxy group is disordered over two positions with occupancies of 0.619 (5 and 0.381 (5. The benzene ring attached to the heterocycle makes a dihedral angle of 86.92 (9° with respect to the best plane through the five-membered ring. The crystal packing is stabilized by intermolecular O—H...O, N—H...S, N—H...N, C—H...O and C—H...N hydrogen bonds, and N—H...π and C—H...π interactions.

  3. 4-H Wetland Wonders: A Water Quality Curriculum for Grades 4 and 5. Leader Guide.

    Science.gov (United States)

    Oregon State Univ., Corvallis. Extension Service.

    This document provides a water quality curriculum guide for grades 4 and 5. Contents include: (1) Wetlands Wonders Resource Library; (2) Introduction to Water Quality and Wetlands; (3) Water Words; (4) The Water Cycle; (5) Watersheds: Rain Coming and Going; (6) The Water Detective; (7) Ground Water; (8) What's Soil Got To Do with It?; (9) In the…

  4. 4-H Wetland Wonders: A Water Quality Curriculum for Grades 4 and 5. Leader Guide.

    Science.gov (United States)

    Oregon State Univ., Corvallis. Extension Service.

    This document provides a water quality curriculum guide for grades 4 and 5. Contents include: (1) Wetlands Wonders Resource Library; (2) Introduction to Water Quality and Wetlands; (3) Water Words; (4) The Water Cycle; (5) Watersheds: Rain Coming and Going; (6) The Water Detective; (7) Ground Water; (8) What's Soil Got To Do with It?; (9) In the…

  5. (E-2-((4R,5R-5-((Benzyloxymethyl-2,2-dimethyl-1,3-dioxolan-4-ylbut-2-ene-1,4-diol

    Directory of Open Access Journals (Sweden)

    Carlos R. Carreras

    2010-04-01

    Full Text Available The synthesis of (E-2-((4R,5R-5-((benzyloxymethyl-2,2-dimethyl-1,3-dioxolan-4-ylbut-2-ene-1,4-diol by a one-step reduction of the appropriate 2-substituted butenolide is reported. Product characterization was carried out by IR, 1H NMR, 13C NMR, MS, elemental analysis and optical rotation.

  6. Cosmic-ray history derived from the sup 5 sup 4 Mn, sup 5 sup 6 Ni and sup 1 sup 4 sup 4 Pm chronometers

    CERN Document Server

    Zaerpoor, K; Di Gregorio, D E; Dragowsky, M R; Hindi, M M; Isaac, M C P; Krane, Kenneth S; Larimer, R M; Macchiavelli, A O; MacLeod, R W; Miocinovic, P; Norman, E B; Robinson, S J

    1999-01-01

    Sources of sup 5 sup 4 Mn, sup 5 sup 6 Ni, and sup 1 sup 4 sup 4 Pm were placed at the center of the Gammasphere array and searches were made for the astrophysically interesting beta sup + decay modes of these isotopes. The results of these searches are presented and the implications for cosmic-ray physics are discussed.

  7. Pharmacognostical and Phytochemical investigation of aerial parts of Lagenaria siceraria (Mol. Standley

    Directory of Open Access Journals (Sweden)

    Nithya R

    2013-04-01

    Full Text Available Lagenaria siceraria (Mol. Standley is a large pubescent, climbing or tailing herb with stout 5- angledstems and bifid tendrils belonging to the family Cucurbitaceae. Various parts of Lagenaria siceraria(Mol. Standley has traditional and folklore claims in the treatment of diabetes, obesity, cardiovasculardiseases, urolithiasis, adenopathy, cancer, hypercholesterolemia, dyskinesia, hepatosis, jaundice,diarrhoea, dysuria, fever, rheumatism, myalgia, ophthalmia, uterosis, scabies, ulcer. In the presentinvestigation, the detailed microscopic study of Lagenaria siceraria fruit and seed, have been carriedout. Physiochemical, phytochemical studies for the aerial parts have been carried out to lay down thestandards which could be useful in future experimental studies.

  8. 5-Isopropylidene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione

    Directory of Open Access Journals (Sweden)

    Yoshiro Yamashita

    2009-05-01

    Full Text Available The title compound, C7H6S5, contains a 5-ylidene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione framework, which is an important synthetic precursor of multi-dimensional organic superconductors and conductors. The molecular framework is planar with an r.m.s. deviation of 0.012 Å for the non-H atoms. In the crystal structure, molecules are linked by short intermolecular S...S interactions [3.501 (5 and 3.581 (4 Å], constructing a zigzag molecular tape network along the c axis.

  9. Quinazolines and 1,4-benzodiazepines. 82.1 5-Pyrimidyl-and 5-pyrazinylbenzodiazepines.

    Science.gov (United States)

    Archer, G A; Kalish, R I; Ning, R Y; Sluboski, B C; Stempel, A; Steppe, T V; Sternbach, L H

    1977-10-01

    Analogues of bromazepam [7-bromo-1,3-dihydro-5(2-pyridyl)-2H-1,4-benzodiazepin-2-one, A], which is a clinically useful minor tranquilizer, have been prepared by replacing the 2-pyridyl group at position 5 with 4-pyrimidyl (5), 2-pyrazinyl (8), 2,5-dimethylpyrazin-3-yl (10), and 2-pyrimidyl (12) groups. Low to moderate CNS activities in both mice and cat were found for all the new compounds. For the screening procedures used, the 2-pyrimidyl-substituted derivatives were found to be the most active new analogues although none of the activities exceeded those observed for bromazepam.

  10. 2-[4-(4,5-Dihydro-1H-pyrrol-2-ylphenyl]-4,5-dihydro-1H-imidazole

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2008-12-01

    Full Text Available The molecule of the title compound, C12H14N4, lies about a crystallographic inversion centre. The five- and six-membered rings are twisted from each other, forming a dihedral angle of 18.06 (7°. In the crystal structure, neighbouring molecules are linked by intermolecular N—H...N hydrogen bonds into one-dimensional infinite chains forming 18-membered rings with R22(18 motifs. The crystal structure is further stabilized by weak intermolecular π–π stacking [centroid–centroid distance = 3.8254 (6 Å] and C—H...π interactions.

  11. 4-(2,7-Dimethyl-4-oxo-1,3-thiazolo[4,5-d]pyridazin-5-ylbenzenesulfonamide

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2011-07-01

    Full Text Available The thiazole–pyridazine fused-ring system of the title compound, C13H12N4O3S2, is approximately planar (r.m.s. deviation = 0.037 Å; the benzene ring connected to the fused-ring system through the N atom is twisted by 39.3 (1°. The amine group uses an H atom to form a hydrogen bond to the ketonic O atom of an inversion-related molecule to generate a dimer; adjacent dimers are linked by an N—H...O hydrogen bond to form a linear chain.

  12. Synthesis of [4,5-[sup 3]H-Leu[sup 4

    Energy Technology Data Exchange (ETDEWEB)

    Birtle, T.; White, A.J.; Woodhouse, D.P. (Cambridge Research Biochemicals, Billingham (United Kingdom))

    1994-04-01

    The synthesis of salmon calcitonin, a C-terminal amide dotriacontapeptide, labelled with tritium in the leucine residue at position 4 to a specific activity of 100Ci mmole[sup -1] is described. The peptide was assembled using the Fmoc-Polyamide solid-phase synthesis strategy incorporating tritium labelled leucine, in the form of Fmoc-4,5-[sup 3]H-leucine-pentafluorophenylester, at the appropriate stage. The Fmoc-4,5-[sup 3]H-leucine-pentafluorophenylester was prepared via a multistage synthesis from 4,5-dehydroleucine. (Author).

  13. 2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tri-carb-oxy-benzoate monohydrate.

    Science.gov (United States)

    Zhong, Kai-Long

    2013-11-16

    In the preparation of the title hydrated salt, C14H13N2 (+)·C10H5O8 (-)·H2O, a proton has been transfered to the 2,9-dimethyl-1,10-phenanthrolinium cation, forming a 2,4,5-tri-carb-oxy-benzoate anion. In the anion, the mean planes of the protonated carboxyl-ate groups form dihedral angles of 11.0 (5), 4.4 (5) and 80.3 (4)° with the benzene ring to which they are attached. The mean plane of the deprotonated carboxyl-ate group forms a dihedral angle of 10.6 (5)° with the benzene ring. In the crystal, the anions are involved in carb-oxy-lic acid O-H⋯Ocarbox-yl hydrogen bonds, generating a two-dimensional network parallel to (001) containing R 4 (4)(28) and R 4 (4)(32) motifs. The 2,9-dimethyl-1,10-phenanthrolinium cations and water mol-ecules reside between the anion layers and are connected to the anions via N-H⋯Owater and Owater-H⋯Ocarbox-yl hydrogen bonds. An intra-molecular O-H⋯O hydrogen bond is also observed in the anion.

  14. Fragrance material review on 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one.

    Science.gov (United States)

    Scognamiglio, J; Letizia, C S; Api, A M

    2013-12-01

    A toxicologic and dermatologic review of 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one when used as a fragrance ingredient is presented. 1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one is a member of the fragrance structural group Alkyl Cyclic Ketones. These fragrances can be described as being composed of an alkyl, R1, and various substituted and bicyclic saturated or unsaturated cyclic hydrocarbons, R2, in which one of the rings may include up to 12 carbons. Alternatively, R2 may be a carbon bridge of C2-C4 carbon chain length between the ketone and cyclic hydrocarbon. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, phototoxicity, and photoallergy data. A safety assessment of the entire Alkyl Cyclic Ketones will be published simultaneously with this document; please refer to Belsito et al. (Belsito, D., Bickers, D., Bruze, M., Calow, P., Dagli, M., Fryer, A.D., Greim, H., Miyachi, Y., Saurat, J.H., Sipes, I.G., 2013. A Toxicologic and Dermatologic Assessment of Alkyl Cyclic Ketones When Used as Fragrance Ingredients (submitted for publication)) for an overall assessment of the safe use of this material and all Alkyl Cyclic Ketones in fragrances. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. Synthesis and conformational study of some r(2), c(4)-bis(isopropoxycarbonyl)- t(3)-aryl- c(5)-hydroxy- t(5)-methylcyclohexanones using NMR spectra

    Science.gov (United States)

    Pandiarajan, K.; Mohan, R. T. Sabapathy; Murugavel, K.; Hema, R.

    2008-03-01

    Seven r(2), c(4)-bis(isopropoxycarbonyl)- t(3)-aryl- c(5)-hydroxy- t(5)-methylcyclohexanones 7- 13 (aryl = C 6H 5, p-ClC 6H 4, p-FC 6H 4, p-OMeC 6H 4, p-Me 2NC 6H 4, m-O 2NC 6H 4 and m-C 6H 5OC 6H 4) have been synthesized by condensing isopropyl acetoacetate with aromatic aldehydes in the presence of methylamine. For all these compounds 1H and 13C NMR spectra have been recorded. For 7, HOMOCOSY, NOESY, HSQC and HMBC spectra also have been recorded. The spectral data suggest that compounds 7- 13 exist in chair conformation with axial orientation of the hydroxy group and equatorial orientations of all the other substituents. Long range coupling is observed between OH proton and H(6a) in all cases suggesting that OH group is anti to C(5) sbnd C(6) bond. In all cases four distinct doublets are observed for the methyl protons of the two isopropyl groups. In 7 and 13 four separate, closely spaced signals are observed for the methyl carbons of the two isopropyl groups. All signals could be assigned unambiguously in the case of 7. The protons of one methyl group of the isopropoxycarbonyl group at C-4 seems to be highly shielded. This suggests that these protons lie above the plane of the aryl group at C(3). This conclusion is in accordance with the structure of 7, determined by X-ray crystallography. MOPAC calculations on 7 suggest that the chair conformation with OH group anti to C(5) sbnd C(6) bond is more stable than the chair conformation with OH bond anti to C(5) sbnd CH 3 bond by 1.5 kcal mol -1.

  16. Synthesis and photoluminescence property of red phosphors LiEu1-xYx(WO4)0.5(MoO4)1.5 for white LED

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    A series of novel red phosphors LiEu1-xYx(WO4)0.5(MoO4)1.5 (x=0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.8) were synthesized by conventional solid state reaction method with the starting materials: WO3, MoO3, Eu2O3, Li2CO3 and Y2O3. The spectrum and the crystal structure of the phosphors were characterized by F-4500 and XRD respectively. Meanwhile the effects of flux and Y3+ concentration on the crystal structure and luminescent properties of the phosphors were investigated. The results showed that the optimal content of flux (WAlF3/WH3BO3=1/1) was 1 wt% and the optimal doping concentration of Y3+ was 0.5 mol. The emission spectrum showed the most intense peak was located at 615 nm, which corresponds to the 5D0→7F2 transition of Eu3+ and that Eu3+ occupied the lattice site of noncentrosymmetric environment in the scheelite phases. The excitation spectrum displayed that these phosphors could be effectively excited by ultraviolet (UV) (396 nm) and blue (466 nm) light, nicely in correspondence with the widely ap- plied output wavelengths of ultraviolet or blue LED chips. The influence of flux on the luminescent properties of LiEu0.5Y0.5(WO4)0.5(MoO4)1.5 phosphor was analyzed. The XRD spectra indicated that the flux could help to crystallize the phosphor, and no other phases were formed except the tetragonal. When adding flux, the relative intensity of LiEu0.5Y0.5(WO4)0.5(MoO4)1.5 became much stronger and the average particle size of the phosphor decreased.

  17. Synthesis and photoluminescence property of red phosphors LiEu1-xYx(WO4)0.5(MoO4)1.5 for white LED

    Institute of Scientific and Technical Information of China (English)

    XIE An; YUAN XiMing; WANG JuanJuan; WANG Feng

    2009-01-01

    A series of novel red phosphors LiEu1-xYx(WO4)0.5(MoO4)1.5 (x=0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.8) were synthesized by conventional solid state reaction method with the starting materials: WO3, MoO3, Eu2O3,Li2CO3 and Y2O3. The spectrum and the crystal structure of the phosphors were characterized by F-4500 and XRD respectively. Meanwhile the effects of flux and Y3+ concentration on the crystal structure and luminescent properties of the phosphors were investigated. The results showed that the optimal content of flux (WAIF3/WH3BO3=1/1) was 1 wt% and the optimal doping concentration of Y3+ was 0.5 mol. The emission spectrum showed the most intense peak was located at 615 nm, which corresponds to the 5D0→7F2 transition of Eu3+ and that Eu3+ occupied the lattice site of noncentrosymmetric environment in the scheelite phases. The excitation spectrum displayed that these phosphors could be effectively excited by ultraviolet (UV) (396 nm) and blue (466 nm) light, nicely in correspondence with the widely applied output wavelengths of ultraviolet or blue LED chips. The influence of flux on the luminescent properties of LiEu0.5Y0.5(WO4)0.5(MoO4)1.5 phosphor was analyzed. The XRD spectra indicated that the flux could help to crystallize the phosphor, and no other phases were formed except the tetragonal.When adding flux, the relative intensity of LiEu0.5Y0.5(WO4)0.5(MoO4)1.5 became much stronger and the average particle size of the phosphor decreased.

  18. Space Environment Prediction for SZ-4 and SZ-5

    Institute of Scientific and Technical Information of China (English)

    LIU Siqing; LIU Jing; SHI Liqin; HAN Jianwei; ZANG Zhenqun

    2004-01-01

    The Space Environment Prediction Center (SEPC) of the Center for Space Science and Applied Research of the Chinese Academy of Sciences (CSSAR, CAS)took on the mission of offering the space environment parameters which may be of use to the safety of manned spacecraft. In order to complete the space environment safety guarantee mission for SZ-4 and SZ-5, SEPC improved the space environment monitoring system, database system, prediction result display system, prediction implementation system, etc. For guaranteeing the safety of the airship and cosmonaut in the first manned SZ-5, flying experiment mission,SEPC developed the software for analyzing radiation dose and early-warning software for large debris collision with SZ-5. Three months before the flights of SZ-4 and SZ-5, SEPC began to predict the safe launch period in view of the space environment, and offered timely and valid reference opinions for selecting the safety period. Especially during the mission of SZ-5, SEPC analyzed the space high-energy environment in a pre-arranged orbit and abnormal orbit andevaluated the radiation dose which cosmonauts may encounter in space. The evaluation offered an important reference for cosmonaut safety and decisionmaking in the SZ-5 mission. The calculation of the distribution of large debris and the collision risk assessment at different orbit entry times for SZ-5 provided an important base for the superior department to make flight decisions.

  19. Synthesis and luminescence properties of a blue-emitting Sr3.5Y6.5O2(PO4)1.5SiO4(4.5) :Eu2+ phosphor.

    Science.gov (United States)

    Xia, Zhiguo; Zhuang, Jiaqing

    2012-01-01

    A novel blue-emitting Sr3.5Y6.5O2(PO4)1.5SiO4(4.5) :Eu2+ phosphor was synthesized via a solid-state reaction. Powder X-ray diffraction (XRD) analysis demonstrated that the Sr3.5Y6.5O2(PO4)1.5(SiO4)4.5 host had a hexagonal crystal structure in the space group P6(3) /m and unit cell parameters a = 9.418 Å, c = 6.900 Å. The as-prepared phosphor showed a blue emission and all the main emission peaks were located at around 466 nm for different excitation wavelengths of 297, 333 and 391 nm. The temperature dependence of the photoluminescence property was investigated in the range 20-250 °C, and the emission intensity decreased to 71% of the initial value at room temperature on increasing the temperature to 150 °C. According to the classical theory of fluorescent thermal quenching, the activation energy (ΔE) for the thermal quenching luminescence of the as-prepared Sr3.45Y6.5O2(PO4)1.5(SiO4)4.5 :0.05Eu2+ phosphor was determined to be 0.20 eV.

  20. Thermodynamics of molecular recognition of mRNA 5' cap by yeast eukaryotic initiation factor 4E.

    Science.gov (United States)

    Kiraga-Motoszko, Katarzyna; Niedzwiecka, Anna; Modrak-Wojcik, Anna; Stepinski, Janusz; Darzynkiewicz, Edward; Stolarski, Ryszard

    2011-07-14

    Molecular mechanisms underlying the recognition of the mRNA 5' terminal structure called "cap" by the eukaryotic initiation factor 4E (eIF4E) are crucial for cap-dependent translation. To gain a deeper insight into how the yeast eIF4E interacts with the cap structure, isothermal titration calorimetry and the van't Hoff analysis based on intrinsic protein fluorescence quenching upon titration with a series of chemical cap analogs were performed, providing a consistent thermodynamic description of the binding process in solution. Equilibrium association constants together with thermodynamic parameters revealed similarities and differences between yeast and mammalian eIF4Es. The yeast eIF4E complex formation was enthalpy-driven and entropy-opposed for each cap analog at 293 K. A nontrivial isothermal enthalpy–entropy compensation was found, described by a compensation temperature, T(c) = 411 ± 18 K. For a low affinity analog, 7-methylguanosine monophosphate, a heat capacity change was detected, ΔC(p)° = +5.2 ± 1.3 kJ·mol(-1)·K(-1). The charge-related interactions involving the 5′-5′ triphosphate bridge of the cap and basic amino acid side chains at the yeast eIF4E cap-binding site were significantly weaker (by ΔΔH°(vH) of about +10 kJ·mol(-1)) than those for the mammalian homologues, suggesting their optimization during the evolution. © 2011 American Chemical Society

  1. MolTalk – a programming library for protein structures and structure analysis

    Directory of Open Access Journals (Sweden)

    Diemand Alexander V

    2004-04-01

    quickly retrieve information for (a limited number of macro-molecular structures, i.e. H-bonds, salt bridges, contacts between amino acids and ligands or at the interface between two chains. 3 To programme more complex structural bioinformatics software and to implement demanding algorithms through its portability to Objective-C, e.g. iMolTalk. 4 To be used as a front end to databases, e.g. PDBChainSaw.

  2. 15 CFR 4.5 - Responsibility for responding to requests.

    Science.gov (United States)

    2010-01-01

    ... GOVERNMENT INFORMATION Freedom of Information Act § 4.5 Responsibility for responding to requests. (a) In... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Responsibility for responding to... records, or the component to which the Departmental Freedom of Information Officer assigns lead...

  3. 3-(4-Chlorophenylsulfonyl-5-isopropyl-2-methyl-1-benzofuran

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2011-05-01

    Full Text Available In the title molecule, C18H17ClO3S, the 4-chlorophenyl ring makes a dihedral angle of 77.03 (5° with the mean plane of the benzofuran fragment. In the crystal structure, the molecules are linked by weak intermolecular C—H...O hydrogen bonds and C—H...π interactions

  4. Regulation of inositol 1,4,5-trisphosphate receptor expression

    NARCIS (Netherlands)

    Deelman, Leo Edwin

    1999-01-01

    This thesis describes the regulation of the inositol 1,4,5-triphosphate receptor (InsP3R). The mechanisms of InsP3R regulation were investigated after cloning of the promoters of the human and rat InsP3R-1 gene and visualization of subcellular distribution of InsP3R-3 by immunoelectron microscopy (c

  5. Self-discharge suppression of 4.9 V LiNi0.5Mn1.5O4 cathode by using tris(trimethylsilyl)borate as an electrolyte additive

    Science.gov (United States)

    Liao, Xiaolin; Huang, Qiming; Mai, Shaowei; Wang, Xianshu; Xu, Mengqing; Xing, Lidan; Liao, Youhao; Li, Weishan

    2014-12-01

    In this paper, tris(trimethylsilyl)borate (TMSB) is evaluated as an electrolyte additive for the self-discharge suppression of 4.9 V LiNi0.5Mn1.5O4 cathode for lithium ion battery. The effect of TMSB on the surface properties of LiNi0.5Mn1.5O4 is investigated via linear sweep voltammetry (LSV), cyclic voltammetry (CV), chronoamperometry (CA), charge-discharge test, electrochemical impedance spectra (EIS), scanning electron microscopy (SEM), X-ray diffraction (XRD), inductively coupled plasma atomic emission spectrometer (ICP-AES) and Fourier transform infrared spectroscopy (FTIR). It is found that the LiNi0.5Mn1.5O4 cathode charged to 4.9 V (vs. Li/Li+) suffers a serious self-discharge in 1 mol L-1 LiPF6-EC/DMC (1:2, in weight), which can be suppressed effectively by adding 1 wt.% TMSB into the electrolyte. After storage for 20 days, the voltage of the charged cathode decreases from 4.7 to 0.5 V (vs. Li/Li+) in the additive-free electrolyte, while that remains almost unchanged in the TMSB-containing electrolyte. The self-discharge suppression of the charged LiNi0.5Mn1.5O4 cathode results from the preferential oxidation of TMSB and the subsequent formation of a protective solid electrolyte interphase film, which prevents electrolyte decomposition and protects LiNi0.5Mn1.5O4 from destruction.

  6. Theoretical study of the electronic states of Nb4, Nb5 clusters and their anions (Nb4?, Nb5?)

    Energy Technology Data Exchange (ETDEWEB)

    Balasubramanian, K; Majumdar, D

    2004-05-06

    Geometries and energy separations of the various low-lying electronic states of Nb{sub n} and Nb{sub n}{sup -} (n = 4, 5) clusters with various structural arrangements have been investigated. The complete active space multi-configuration self-consistent field (CASMCSCF) method followed by multi-reference singles and doubles configuration interaction (MRSDCI) calculations that included up to 52 million configuration spin functions have been used to compute several electronic states of these clusters. The ground states of both Nb{sub 4} ({sup 1}A', pyramidal) and Nb{sub 4}{sup -} ({sup 2}B{sub 3g}, rhombus) are low-spin states at the MRSDCI level. The ground state of Nb{sub 5} cluster is a doublet with a distorted trigonal bipyramid (DTB) structure. The anionic cluster of Nb{sub 5} has two competitive ground states with singlet and triplet multiplicities (DTB). The low-lying electronic states of these clusters have been found to be distorted due to Jahn-Teller effect. On the basis of the energy separations of our computed electronic states of Nb{sub 4} and Nb{sub 5}, we have assigned the observed photoelectron spectrum of Nb{sub n}{sup -}(n = 4, 5) clusters. We have also compared our MRSDCI results with density functional calculations. The electron affinity, ionization potential, dissociation and atomization energies of Nb{sub 4} and Nb{sub 5} have been calculated and the results have been found to be in excellent agreement with the experiment.

  7. ExoMol line list - XXI. Nitric Oxide (NO)

    Science.gov (United States)

    Wong, Andy; Yurchenko, Sergei N.; Bernath, Peter; Müller, Holger S. P.; McConkey, Stephanie; Tennyson, Jonathan

    2017-09-01

    Line lists for the X 2Π electronic ground state for the parent isotopologue of nitric oxide (14N16O) and five other major isotopologues (14N17O, 14N18O, 15N16O, 15N17O and 15N18O) are presented. The line lists are constructed using empirical energy levels (and line positions) and high-level ab initio intensities. The energy levels were obtained using a combination of two approaches, from an effective Hamiltonian and from solving the rovibronic Schrödinger equation variationally. The effective Hamiltonian model was obtained through a fit to the experimental line positions of NO available in the literature for all six isotopologues using the programs spfit and spcat. The variational model was built through a least squares fit of the ab initio potential and spin-orbit curves to the experimentally derived energies and experimental line positions of the main isotopologue only using the duo program. The ab initio potential energy, spin-orbit and dipole moment curves (PEC, SOC and DMC) are computed using high-level ab initio methods and the marvel method is used to obtain energies of NO from experimental transition frequencies. The line lists are constructed for each isotopologue based on the use of the most accurate energy levels and the ab initio DMC. Each line list covers a wavenumber range from 0 to 40 000 cm-1 with approximately 22 000 rovibronic states and 2.3-2.6 million transitions extending to Jmax = 184.5 and vmax = 51. Partition functions are also calculated up to a temperature of 5000 K. The calculated absorption line intensities at 296 K using these line lists show excellent agreement with those included in the HITRAN and HITEMP data bases. The computed NO line lists are the most comprehensive to date, covering a wider wavenumber and temperature range compared to both the HITRAN and HITEMP data bases. These line lists are also more accurate than those used in HITEMP. The full line lists are available from the CDS http://cdsarc.u-strasbg.fr and ExoMol www

  8. Heat treatment effects on tensile properties of V-(4-5) wt.% Cr-(4-5) wt.% Ti alloys

    Energy Technology Data Exchange (ETDEWEB)

    Natesan, K.; Soppet, W.K. [Argonne National Lab., IL (United States)

    1997-08-01

    Effects of thermomechanical treatments on microstructures and mechanical properties are of interest for long term application of V-Cr-Ti alloys in fusion reactor systems. Influence of thermal annealing at 1050{degrees}C on stress/strain behavior, maximum engineering strength, and uniform and total elongation were evaluated. The results show that multiple annealing has minimal effect on the tensile properties of V-(4-5)Cr-(4-5)Ti alloys tested at room temperature and at 500{degrees}C.

  9. N-[4-Acetyl-5-isobutyl-5-(2-p-tolylpropyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide ethyl acetate hemisolvate

    Directory of Open Access Journals (Sweden)

    Noureddine Mazoir

    2009-01-01

    Full Text Available The racemic title compound, a new terpenoid, C20H29N3O2S·0.5C4H8O2, was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent molecule. The thiadiazole ring is almost planar, with a maximum deviation from the mean plane of 0.015 (2 Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2 Å. The dihedral angle between the benzene and thiadiazole rings is 18.32 (8°. The crystal packing involves intermolecular N—H...O hydrogen bonds.

  10. Comparison on 4-4-2 and 4-5-1 Formation in Modern Football%现代足球4-4-2阵型与4-5-1阵型对比研究

    Institute of Scientific and Technical Information of China (English)

    陈学东

    2014-01-01

    Based on observation and statistics of various international football match in recent years, 4 -4-2 formationand 4-5-1 formation become the world's most often used in football match, the wide application of two kinds of formations shows the development idea and development trend of modern football.According to the 4-4-2 formation and 4-5-1 formation in back line, the vanguard line and tactical methods comparison of the front line reveal the technique features of two kinds of formation and analyze the attack and defensive characteristics of modern football match.%通过对近年来国际足坛各种比赛情况的观察和统计,4-4-2阵型和4-5-1阵型成为当今世界足球比赛中运用最多的阵型,两种阵型的广泛应用,体现出现代足球的发展理念和发展趋势。本文根据4-4-2阵型和4-5-1阵型在后卫线、前卫线和前锋线战术打法的对比,揭示两种阵型的技战术特点,分析现代足球比赛的攻守特征。

  11. Mod-5A wind turbine generator program design report. Volume 4: Drawings and specifications, book 5

    Science.gov (United States)

    1984-01-01

    The design, development and analysis of the 7.3 MW MOD-5A wind turbine generator is documented. There are four volumes. This volume contains the drawings and specifications that were developed in preparation for building the MOD-5A wind turbine generator. Detail drawings of several assemblies and subassemblies are given. This is the fifth book of volume 4.

  12. Some Observed Results of Solar Radio Spectrometer at 4.5-7.5 GHz

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A new instrument of broadband solar radio spectrometer working at waveband 4.5-7.5 GHz was developed at Purple Mountain Observatory for Solar Maximum 23. Some new results of spectral observation have been obtained since August 1999. Two typical type Ⅲμ bursts with rich fine structures are presented and some interesting features discussed.

  13. Drie nuwe verklaringsopsies in die Jakobusbrief (Jak 2:1, 4: 5; 5: 6)

    African Journals Online (AJOL)

    New options in the understanding of the Epistle of James 0s 2; 1; 4:5; 5:6). New methods of .... prosopolempsia, entered the New Testament tradition first as a charac teristic of God's ..... A manual grammar of the Greek New Testament. Toronto: ...

  14. Synthesis and cytotoxic activity of 2,5-disubstituted pyrimido [5,4-c] quinoline derivatives

    Institute of Scientific and Technical Information of China (English)

    Fan Zhang; Xin Zhai; Li Juan Chen; Jian Guo Qi; Bo Cui; Yu Cheng Gu; Ping Gong

    2011-01-01

    A series of 2,5-disubstituted pyrimido[5,4-c]quinoline derivatives were synthesized and their cytotoxic activity against H460, HT-29 and MDA-MB-231 cell lines was evaluated in vitro. It was found that most of the tested compounds especially compound 17, shown stronger activity to the selected three cell lines than ZM447439.

  15. Effects of Ge4+ acceptor dopant on sintering and electrical properties of (K0.5Na0.5)NbO3 lead-free piezoceramics

    Science.gov (United States)

    Chen, Kepi; Jiao, Yanlin

    2017-01-01

    Lead-free (K0.5Na0.5)(Nb1-x Ge x )O3 (KNN-xGe, where x = 0-0.01) piezoelectric ceramics were prepared by conventional ceramic processing. The effects of Ge4+ cation doping on the phase compositions, microstructure and electrical properties of KNN ceramics were studied. SEM images show that Ge4+ cation doping improved the sintering and promoted the grain growth of the KNN ceramics. Dielectric and ferroelectric measurements proved that Ge4+ cations substituted Nb5+ ions as acceptors, and the Curie temperature (T C) shows an almost linear decrease with increasing the Ge4+ content. Combining this result with microstructure observations and electrical measurements, it is concluded that the optimal sintering temperature for KNN-xGe ceramics was 1020°C. Ge4+ doping less than 0.4 mol.%can improve the compositional homogeneity and piezoelectric properties of KNN ceramics. The KNN-xGe ceramics with x = 0.2% exhibited the best piezoelectric properties: piezoelectric constant d 33 = 120 pC/N, planar electromechanical coupling coefficient k p = 34.7%, mechanical quality factor Q m = 130, and tanδ = 3.6%.

  16. Effects of Ge4+ acceptor dopant on sintering and electrical properties of (K0.5Na0.5)NbO3 lead-free piezoceramics

    Science.gov (United States)

    Chen, Kepi; Jiao, Yanlin

    2017-03-01

    Lead-free (K0.5Na0.5)(Nb1- x Ge x )O3 (KNN- xGe, where x = 0-0.01) piezoelectric ceramics were prepared by conventional ceramic processing. The effects of Ge4+ cation doping on the phase compositions, microstructure and electrical properties of KNN ceramics were studied. SEM images show that Ge4+ cation doping improved the sintering and promoted the grain growth of the KNN ceramics. Dielectric and ferroelectric measurements proved that Ge4+ cations substituted Nb5+ ions as acceptors, and the Curie temperature ( T C) shows an almost linear decrease with increasing the Ge4+ content. Combining this result with microstructure observations and electrical measurements, it is concluded that the optimal sintering temperature for KNN- xGe ceramics was 1020°C. Ge4+ doping less than 0.4 mol.%can improve the compositional homogeneity and piezoelectric properties of KNN ceramics. The KNN- xGe ceramics with x = 0.2% exhibited the best piezoelectric properties: piezoelectric constant d 33 = 120 pC/N, planar electromechanical coupling coefficient k p = 34.7%, mechanical quality factor Q m = 130, and tan δ = 3.6%.

  17. (4Z,5E,9E,10Z-N4,N5,N9,N10-Tetrakis(2,6-diisopropylphenylpyrene-4,5,9,10-tetraimine

    Directory of Open Access Journals (Sweden)

    Owen M. Williams

    2016-04-01

    Full Text Available The title molecule, C64H74N4, consists of a pyrene backbone with imine moieties located on the 4-, 5-, 9-, and 10-positions of the ring system. The aryl groups on these imines are sterically bulky 2,6-diisopropylphenyl units. As a consequence, the backbone itself is twisted, with an angle of 15.29 (6° between the mean planes (r.m.s. deviations = 0.006 and 0.009 Å of the phenyl units. The N=C—C=N units are significantly twisted and feature torsion angles of −48.8 (2 and −46.3 (3°. The non-planarity of the backbone and short C—N distances [ranging from 1.281 (2 to 1.285 (2 Å] indicate the lack of conjugation in the molecule and double-bond nature of the imines. Weak intramolecular and intermolecular C—H...π interactions are observed.

  18. Preliminary survey on the impact of Schmallenberg virus on sheep flocks in South of Belgium.

    Science.gov (United States)

    Saegerman, C; Martinelle, L; Dal Pozzo, F; Kirschvink, N

    2014-10-01

    Between late February and May 2012, a preliminary anonym survey was conducted among sheep farmers in south of Belgium in order to contribute to future estimations of the economic losses caused by Schmallenberg virus (SBV). Based on clinical signs consistent with SBV infection, this survey involved 13 meat sheep flocks considered as positive flocks with subsequent SBV detection by RT-qPCR [SBV-positive flocks (PF); total of 961 animals], and 13 meat sheep flocks considered as negative flocks (NF; total of 331 animals). These preliminary results indicated several significant characteristics that were more present in PF than in NF. These include an increased rate of abortions (6.7% in PF versus 3.2% in NF), of lambs born at term but presenting malformations (10.1% in PF versus 2.0% in NF) and of dystocia (10.1% in PF versus 3.4% in NF). Lamb mortality during the first week of life was reported more frequently in PF (8 of 13 PF, 61.5%) than in NF (1 of 13 NF, 7.7%). In PF, the observed prolificacy rate was 2-fold lower (93%) than expected (186%). The implementation of a survey at larger scale, including a high number of breeders, is necessary to allow a more detailed analysis of the SBV impact in the sheep sector.

  19. Hexa-aqua-bis-[3,5-bis-(hy-droxy-imino)-1-methyl-2,4,6-trioxo-cyclo-hexa-nido-κ(2) N (3),O (4)]barium tetrahydrate.

    Science.gov (United States)

    Dinh Do, Nguyen; Kovalchukova, Olga; Stash, Adam; Strashnova, Svetlana

    2013-10-16

    In the title compound, [Ba(C7H5N2O5)2(H2O)6]·4H2O, the Ba(2+) cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis-(hy-droxy-imino)-1-methyl-2,4,6-trioxo-cyclo-hexa-n-ide oxo O atoms [Ba-O = 2.8715 (17) Å], two hy-droxy-imino N atoms [Ba-N = 3.036 (2) Å], and six water mol-ecules [Ba-O = 2.847 (2), 2.848 (2), and 2.880 (2) Å]. The 3,5-bis-(hy-droxy-imino)-1-methyl-2,4,6-trioxo-cyclo-hexa-nide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hy-droxy-imino group and an O atom of the neighboring oxo group. Two lattice water mol-ecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water mol-ecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed.

  20. Crystal structure of (E)-13-{4-[(Z)-2-cyano-2-(3,4,5-tri-meth-oxy-phen-yl)ethen-yl]phen-yl}parthenolide methanol hemisolvate.

    Science.gov (United States)

    Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A

    2014-10-01

    The title compound, C33H35NO6 [systematic name: (Z)-3-(4-{(E)-[(E)-1a,5-dimethyl-9-oxo-2,3,7,7a-tetra-hydro-oxireno[2',3':9,10]cyclo-deca-[1,2-b]furan-8(1aH,6H,9H,10aH,10bH)-yl-idene]meth-yl}phen-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylo-ni-trile methanol hemisolvate], C33H35NO6·0.5CH3OH, was prepared by the reaction of (Z)-3-(4-iodo-phen-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylo-nitrile with parthenolide [systematic name: (E)-1a,5-dimethyl-8-methyl-ene-2,3,6,7,7a,8,10a,10b-octa-hy-dro-oxireno[2',3':9,10]cyclo-deca-[1,2-b]furan-9(1aH)-one] under Heck reaction conditions. The mol-ecule is built up from fused ten-, five- (lactone) and three-membered (epoxide) rings with a {4-[(Z)-2-cyano-2-(3,4,5-tri-meth-oxy-phen-yl)ethen-yl]phen-yl}methyl-idene group as a substituent. The 4-[(Z)-2-cyano-2-(3,4,5-tri-meth-oxy-phen-yl)ethen-yl]phenyl group on the parthenolide exocyclic double bond is oriented in a trans position to the lactone ring to form the E isomer. The dihedral angle between the benzene ring of the phenyl moiety and the lactone ring mean plane is 21.93 (4)°.

  1. Drie nuwe verklaringsopsies in die Jakobusbrief (Jak 2:1; 4:5; 5:6

    Directory of Open Access Journals (Sweden)

    E. A.C. Pretorius

    1988-01-01

    Full Text Available New options in the understanding of the Epistle of James(Js 2:1; 4:5; 5:6 New methods of interpretation occasionally lead to new options in the understanding of texts. In the case of the Epistle of James, the interpretation has until recently stood under the spell of the 'comparative' method of Dibelius. Greater emphasis on internal cohesion in the text recently led to the proposal of the following translations: James 2:1: '... surely, you do not have the faith in our Lord ... on account of favouritism?' James 4:5: 'Do you think Scripture speaks in vain? Should the spirit which He made to dwell in us desire (the world with envy?' James 5:6 'You judge and murder the innocent. Will He (God, cf 4:6 not resist you?'

  2. MOLS sampling and its applications in structural biophysics.

    Science.gov (United States)

    Ramya, L; Nehru Viji, Shankaran; Arun Prasad, Pandurangan; Kanagasabai, Vadivel; Gautham, Namasivayam

    2010-12-01

    This review describes the MOLS method and its applications. This computational method has been developed in our laboratory primarily to explore the conformational space of small peptides and identify features of interest, particularly the minima, i.e., the low energy conformations. A systematic "brute-force" search through the vast conformational space for such features faces the insurmountable problem of combinatorial explosion, whilst other techniques, e.g., Monte Carlo searches, are somewhat limited in their region of exploration and may be considered inexhaustive. The MOLS method, on the other hand, uses a sampling technique commonly employed in experimental design theory to identify a small sample of the conformational space that nevertheless retains information about the entire space. The information is extracted using a technique that is a variant of the self-consistent mean field technique, which has been used to identify, for example, the optimal set of side-chain conformations in a protein. Applications of the MOLS method to understand peptide structure, predict the structures of loops in proteins, predict three-dimensional structures of small proteins, and arrive at the best conformation, orientation, and positions of a small molecule ligand in a protein receptor site have all yielded satisfactory results.

  3. 5-Cyclohexyl-2-(4-methylphenyl-3-methylsulfinyl-1-benzofuran

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2012-10-01

    Full Text Available In the title compound, C22H24O2S, the cyclohexyl ring adopts a chair conformation. In the crystal, molecules are linked by weak C—H...O and C—H...π interactions. In the methylsulfinyl group, the methyl group and S atom are disordered over two sets of sites, with site-occupancy factors of 0.58 (3 and 0.42 (3. In the ring of the 4-methylphenyl group, the four C atoms are disordered over two sets of sites, with site-occupancy factors of 0.858 (5 and 0.142 (5.

  4. 4′-Formyl­benzo-15-crown-5

    Science.gov (United States)

    Fischer, Conrad; Helas, Stefanie F.; Seichter, Wilhelm; Weber, Edwin; Ibragimov, Bakhtiyar T.

    2008-01-01

    In the title compound (systematic name: 17-formyl-2,5,8,11,14-penta­oxabicyclo­[13.4.0]nona­deca-15,17,19-triene), C15H20O6, the 15-crown-5 ring adopts a twisted conformation. The formyl group is coplanar with the benzene ring. The crystal packing is stabilized by C—H⋯O inter­actions involving the C=O group and ether O atoms as acceptors and methyl­ene CH groups as donors. PMID:21203259

  5. Non-Oxidative Aromatization of CH4-C3H8 over La-Promoted Zn/HZSM-5 Catalysts

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The non-oxidative aromatization of mixed CH4 with C3H8 over La-promoted Zn/HZSM-5 catalysts was studied in a fixed-bed reactor at 823 K with space velocity 600 h-1 and CH4/C3H8 (mol ratio)=5:1. The propane conversion and the aromatic selectivities were up to 99% and 60% over the catalyst respectively, while methane conversion had an induction period with the highest conversion of 30%. The structure and surface acidity of the catalysts were characterized by XRD, NH3-TPD and TG-DTA. The influences of reaction and regenerative conditions on the activity and selectivity were also investigated.

  6. Bis(pentane-2,4-dionatobis[2-(4-pyridyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-oxide]nickel(II

    Directory of Open Access Journals (Sweden)

    Lujiang Hao

    2008-07-01

    Full Text Available In the title compound, [Ni(C5H7O22(C12H16N3O2], the NiII cation is hexacoordinated by four O and two N atoms, showing a slightly distorted octahedral geometry. The NiII cation lies on an inversion centre, as a consequence of which the asymmetric unit comprises one half-molecule. The four O atoms belonging to two pentane-2,4-dionate ligands lie in the equatorial plane and two pyridyl N atoms occupy the axial coordination sites.

  7. 2-(5,7-Dimethoxy-4-oxo-4H-chromen-2-ylphenyl 4-toluenesulfonate

    Directory of Open Access Journals (Sweden)

    G. Ramachandran

    2008-08-01

    Full Text Available In the crystal structure of the title compound, C24H20O7S, the chromone system makes a dihedral angle of 37.32 (7° with the adjacent benzene ring. The chromone ring system and the tolyl ring are almost parallel, with a dihedral angle of 4.56 (9°. The tolyl ring is twisted at an angle of 41.75 (6° with respect to the benzene ring. Weak intra- and intermolecular C—H...O interactions are observed.

  8. Comparison of two molecular scaffolds, 5-methylisoxazole-3-carboxamide and 5-methylisoxazole-4-carboxamide.

    Science.gov (United States)

    Song, Yaoming; Zhang, Yiguan; Lee, An-Rong; Huang, Wen-Hsin; Chen, Ben; Palfey, Bruce; Shaw, Jiajiu

    2014-01-01

    Leflunomide is a disease-modifying antirheumatic drug (DMARD) for the treatment of rheumatoid arthritis (RA). Structurally, it is a derivative of 5-methylisoxazole-4-carboxamide. Upon metabolism, the N-O bond in the isoxazole ring is cleaved to form the active metabolite, teriflunomide, which was recently approved by the FDA for the treatment of multiple sclerosis. Both leflunomide and teriflunomide inhibit dihydroorotate dehydrogenase (DHODH) thereby inhibiingt the synthesis of pyrimidine. For both drugs, the two major concerns are potential liver toxicity and teratogenicity. It was suspected that these undesirable effects might be related to the cleavage of the N-O bond. We herein summarize the metabolites-toxicity issues related to leflunomide/teriflunomide and discuss two related molecular platforms, UTL-4 and UTL-5. UTL-4 compounds are based on the same scaffold of leflunomide; their toxicological and pharmacological effects are not significantly different from those of leflunomide/teriflunomide. In UTL-5 series, the leflunomide scaffold is changed into 5-methylisoxazole-3-carboxamide. Unlike leflunomide, the N-O bond of a UTL-5 compound, UTL-5b, is not cleaved upon metabolism; instead, the peptide bond is cleaved to form its major metabolites. UTL-5b and its metabolites do not inhibit DHODH in vitro. In addition, UTL-5b and all other UTL-5 compounds have lower acute toxicity than leflunomide/teriflunomide. Furthermore, from leflunomide to UTL-5b/UTL-5g, the potential liver toxicity becomes liver protective effect. With the reduced toxicity, UTL-5 compounds still maintain significant pharmacological effects including anti-inflammatory and antiarthritic effects. In summary, our observations provide a valuable direction in drug optimization based on the modification of the leflunomide scaffold.

  9. 3-(4-Bromophenyl-4-(4-hydroxyanilinofuran-2(5H-one

    Directory of Open Access Journals (Sweden)

    Wanxi Peng

    2011-09-01

    Full Text Available In the title compound, C16H12BrNO3, the butyrolactone core adopts the furan-2(5H-one structure and forms dihedral angles of 44.80 (17 and 65.73 (18° with the bromobenzene and phenol rings, respectively. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules, generating R43(26 loops The edge-fused rings extend to form a chain running along the b-axis direction and C—H...π contacts help to consolidate the packing.

  10. (1S,2R,3S,6S,7R)-3,7,11,11-Tetra-methyl-6,7-epoxybi-cyclo-[5.4.0]undecane-2-ol.

    Science.gov (United States)

    Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha

    2014-05-01

    The title compound, C15H26O2, was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the Atlas cedar (cedrus atlantica). The mol-ecule is built up from a seven-membered ring to which a six- and a three-membered ring are fused. The seven- and six-membered rings each have a twist-boat conformation. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into zigzag chains running along the b-axis direction.

  11. Electrochemical Performance of LiNi0.5Mn1.5O4 by Sol-gel Self-combustion Reaction Method in Different Kinds of Electrolyte for High-voltage Rechargeable Lithium Cells

    Science.gov (United States)

    Liang, Xinghua; Shi, Lin; Liu, Yusi; Zeng, Shuaibo; Ye, Chaochao

    2015-07-01

    LiNi0.5Mn1.5O4 cathode material was synthesized through sol-gel self-combustion reaction method. LiNi0.5Mn1.5O4 powders were subsequently characterized as cathode materials in a Li-ion coin cell comprising a Li anode with electrolyte A or electrolyte B. 1.0 mol/L Lithium Hexafluorophosphate (LiPF6) dissolved in volume ration of ethylene carbonate (EC) to ethyl methyl carbonate (EMC) to diethyl carbonate (DEC) corresponded to 4:3:3as electrolyte A, 1.0 mol/L LiPF6 dissolved in volume ration of EC to EMC to DEC corresponded to 4:2:4 as electrolyte B. Electrochemical performance of lithium cells was evaluated. These tests showed that no matter the cells with electrolyte A or electrolyte B has good discharge platform in 4.7V range (3.5V-4.75V) at the rate of 0.1C, the initial discharge capacity of cell with electrolyte B was higher than that with electrolyte A.

  12. Quasirelativistic calculation of 4s$^2$4p$^5$, 4s$^2$4p$^4$4d and 4s4p$^6$ configuration spectroscopic parameters for the W$^{39+}$ ion

    CERN Document Server

    Bogdanovich, P; Kisielius, R

    2015-01-01

    The ab initio quasirelativistic Hartree-Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions is used to derive spectral data for the 4s$^2$4p$^5$, 4s$^2$4p$^4$4d and 4s4p$^6$ configurations of the multicharged tungsten ion W$^{39+}$. The relativistic effects are taken into account in the Breit-Pauli approximation for the quasirelativistic Hartree-Fock radial orbitals. The configuration interaction method is applied to include the electron correlation effects. Produced data are compared with existing experimental measurements and theoretical calculations.

  13. The Effects of the Addition of Silica Mol Fraction (x = 1.5; 2; 2.5) as a Solid Electrolyte on Ion Conductivity of NASICON (Na1-xZr2SixP3-xO12) Using Solid-State Method

    Science.gov (United States)

    Pratiwi, V. M.; Purwaningsih, H.; Widyastuti; Fajarin, R.; Setyawan, H.

    2017-05-01

    Energy is a very important in modern life and need innovations to develop it. One innovation is the application of energyfor storage devices, such as batteries, capacitors, fuel cells, etc. For 30 years, the application of the NASICON (Na1+xZr2SixP3-xO12) into the NASICON gas sensor material was successfully prepared by using solid-state method. The raw materials such as SiO2, Na2CO3, ZrO2, and NaH2PO4 with a little methanol were mixed in Ballmill equipment. The silica powder was made by the extraction of bagasse ash by using sol-gel method. The x-ray diffraction patternshowedthat the result of silica extraction was amorphous and the NASICON structure wassynthesizedto bemonoclinic. The scanning electron microscopy results indicated that silica had non-uniform surface morphology and the NASICON had good surface morphology only on the form of Na3Zr2Si2PO12. The ionic conductivty of NASICON wasshown on LCR Nyquist plot of the three compositions. The highest NASICON conductivity was found inthe composition of x = 2.0, i.e. 1.142x10-8 S/m.

  14. Methyl 6-Methyl-1-(4-methylphenyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Haiping Wang

    2012-04-01

    Full Text Available Methyl 6-methyl-1-(4-methylphenyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylate has been synthesized via the modified Biginelli reaction from benzaldehyde, p-tolylurea, and methyl acetoacetate, promoted with microwave irradiation and catalyzed by TsOH under solvent-free conditions in high yield.

  15. Synthesis, Spectral Studies and Biological Activities of 1-Acetyl-5-(substitutedphenyl-{3-[4-(2-phenyl-4-p-hydroxybenzylidene-5-oxo-imidazol-1-yl] phenyl}-4,5-dihydropyrazol derivatives

    Directory of Open Access Journals (Sweden)

    Amee B. Patel

    2013-03-01

    Full Text Available 1-acetyl-5-(substitutedphenyl-{3-[4-(2-phenyl-4-p-hydroxybenzylidene-5-oxo-imidazol-1-yl]phenyl}-4,5-dihydropyrazol have been prepared by the refluxation for three hours of 5-(substitutedphenyl-[3-(4-{2-phenyl-4-(4-hydroxybenzylidene-5-oxo-imidazol-1-yl}phenyl]-4,5-dihydropyrazol and Gly. aceticacid the intermediate A3 have been prepared by the refluxation for three hours of 4-(4-hydroxybenzylidene-1-{4-[3-(substitutedphenylprop-2-enoyl]phenyl}-2-phenyl-imidazol-5-one with hydrazine hydrate in presence of ethanol the intermediate A2 synthesized by the condensation of 1-(4-acetylphenyl-4-(4-hydroxybenzylidene-2-phenyl-3,5-dihydro-imidazol-5-one with various aldehydes.

  16. Synthesis of 5'-bromo-2'-hydroxy-4,4',6'-trimethoxychalcone from Garcinia nervosa and of its isomer 3'-bromo-2'-hydroxy-4,4',6'- trimethoxychalcone

    Digital Repository Service at National Institute of Oceanography (India)

    Parab, S.J.; Kapdi, S.G.; Naik, C.G.; Kamat, S.P.

    The unambiguous syntheses of the naturally occurring 5'-bromo-2'-hydroxy-4,4',6'-trimethoxychalcone 1, a constituent of Garcinia nervosa, and its positional isomer 3'-bromo-2'-hydroxy-4,4',6'-trimethoxychalcone 6 are described...

  17. 2,5-Dimethyl-3-(4-methylphenylsulfinyl-1-benzofuran

    Directory of Open Access Journals (Sweden)

    Uk Lee

    2012-05-01

    Full Text Available In the title compound, C17H16O2S, the 4-methylphenyl ring makes a dihedral angle of 88.28 (5° with the mean plane [mean deviation = 0.009 (1 Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O and C—H...π interactions.

  18. Legal euthanasia in Belgium: characteristics of all reported euthanasia cases.

    Science.gov (United States)

    Smets, Tinne; Bilsen, Johan; Cohen, Joachim; Rurup, Mette L; Deliens, Luc

    2010-02-01

    To study the reported medical practice of euthanasia in Belgium since implementation of the euthanasia law. Analysis of the anonymous database of all euthanasia cases reported to the Federal Control and Evaluation Committee Euthanasia. All euthanasia cases reported by physicians for review between implementation of the euthanasia law on September 22nd, 2002 and December 31, 2007 (n = 1917). Frequency of reported euthanasia cases, characteristics of patients and the decision for euthanasia, drugs used in euthanasia cases, and trends in reported cases over time. The number of reported euthanasia cases increased every year from 0.23% of all deaths in 2002 to 0.49% in 2007. Compared with all deaths in the population, patients who died by euthanasia were more often younger (82.1% of patients who received euthanasia compared with 49.8% of all deaths were younger than 80, P Euthanasia was most often performed with a barbiturate, sometimes in combination with neuromuscular relaxants (92.4%) and seldom with morphine (0.9%). In almost all patients, unbearable physical (95.6%) and/or psychological suffering (68%) were reported. A small minority of cases (6.6%) concerned nonterminal patients, mainly suffering from neuromuscular diseases. The frequency of reported euthanasia cases has increased every year since legalization. Euthanasia is most often chosen as a last resort at the end of life by younger patients, patients with cancer, and seldom by nonterminal patients.

  19. Environmental engineering education at Ghent University, Flanders (Belgium).

    Science.gov (United States)

    Demeestere, K; Dewulf, J; Janssen, C; Van Langenhove, H

    2004-01-01

    Since the 1980s, environmental engineering education has been a rapidly growing discipline in many universities. This paper discusses the history, the current status and the near future of environmental engineering education at Ghent University. This university, with about 50% of the Flemish university environmental engineering students, can be considered as representative for the situation in Flanders, Belgium. In contrast to many other universities, environmental engineering education at Ghent University does not have its historical roots in civil engineering, but has been developed from the curricula organized by the former Faculty of Agricultural Sciences. As part of a reorganisation of the education and research activities at this faculty, a curriculum leading to the degree of "bio-engineer in environmental technology" was established in 1991. This curriculum covers a 5-year study and is constructed around 8 main components. Exchange of students with other European universities, e.g. within the Socrates framework, has become a prominent aspect of student life and education. This paper also briefly describes the employment opportunities of graduated bio-engineers in environmental technology. Finally, the current implementation of the bachelor's-master's structure, leading to a "master of science in environmental technology" degree is summarized.

  20. Theoretical investigations of the reaction between 1,4-dithiane-2,5-diol and azomethine imines: mechanisms and diastereoselectivity.

    Science.gov (United States)

    Zheng, Linjie; Qiao, Yan; Lu, Mengxue; Chang, Junbiao

    2015-07-21

    In the present study, mechanistic insights into the domino reaction between 1,4-dithiane-2,5-diol and azomethine imines were derived from the computational study with B3LYP and M06-2X functionals. On the whole, the domino process comprises two consecutive reactions: cleavage of 1,4-dithiane-2,5-diol leading to mercaptoacetaldehyde and [3 + 3] cycloaddition of mercaptoacetaldehyde with azomethine imines. The cleavage of 1,4-dithiane-2,5-diol can take place via multiple possible pathways (1A-1E), and pathway 1E in which double-methanol molecules mediate the proton transfer process is the most energetically favorable, with an energy barrier of 19.9 kcal mol(-1). For the [3 + 3] cycloaddition, three possible pathways (2F-2H) were explored. The calculated energy profiles reveal that pathway 2H with activation energies ranging from 6.9 to 10.2 kcal mol(-1) is more energetically favorable than pathways 2F and 2G. Specifically, pathway 2H comprises three reaction steps: deprotonation of mercaptoacetaldehyde by DABCO allows for the formation of the thiol anion, which subsequently launches a nucleophilic attack on azomethine imines followed by intramolecular cyclization resulting in the final products. The calculated results are in agreement with the experimental observations that the reaction can proceed most efficiently in the presence of both DABCO and methanol. Furthermore, the hydrogen bonding interaction is identified to be the main factor determining the observed diastereoselectivity The current systematic theoretical study gives a full scenario of the reaction between 1,4-dithiane-2,5-diol and azomethine imines catalyzed by DABCO, and thus provides some valuable clues for further investigation and development of this kind of important reaction.

  1. n-3 polyunsaturated fatty acids suppress CD4(+) T cell proliferation by altering phosphatidylinositol-(4,5)-bisphosphate [PI(4,5)P2] organization.

    Science.gov (United States)

    Hou, Tim Y; Barhoumi, Rola; Fan, Yang-Yi; Rivera, Gonzalo M; Hannoush, Rami N; McMurray, David N; Chapkin, Robert S

    2016-01-01

    The mechanisms by which n-3 polyunsaturated fatty acids (n-3 PUFA), abundant in fish oil, exert their anti-inflammatory effects have not been rigorously defined. We have previously demonstrated that n-3 PUFA decrease the amount of phosphatidylinositol-(4,5)-bisphosphate, [PI(4,5)P2], in CD4(+) T cells, leading to suppressed actin remodeling upon activation. Since discrete pools of PI(4,5)P2 exist in the plasma membrane, we determined whether n-3 PUFA modulate spatial organization of PI(4,5)P2 relative to raft and non-raft domains. We used Förster resonance energy transfer (FRET) to demonstrate that lipid raft mesodomains in the plasma membrane of CD4(+) T cells enriched in n-3 PUFA display increased co-clustering of Lck(N10) and LAT(ΔCP), markers of lipid rafts. CD4(+) T cells enriched in n-3 PUFA also exhibited a depleted plasma membrane non-raft PI(4,5)P2 pool as detected by decreased co-clustering of Src(N15), a non-raft marker, and PH(PLC-δ), a PI(4,5)P2 reporter. Incubation with exogenous PI(4,5)P2 rescued the effects on the non-raft PI(4,5)P2 pool, and reversed the suppression of T cell proliferation in CD4(+) T cells enriched with n-3 PUFA. Furthermore, CD4(+) T cells isolated from mice fed a 4% docosahexaenoic acid (DHA)-enriched diet exhibited a decrease in the non-raft pool of PI(4,5)P2, and exogenous PI(4,5)P2 reversed the suppression of T cell proliferation. Finally, these effects were not due to changes to post-translational lipidation, since n-3 PUFA did not alter the palmitoylation status of signaling proteins. These data demonstrate that n-3 PUFA suppress T cell proliferation by altering plasma membrane topography and the spatial organization of PI(4,5)P2.

  2. Antioxidant and DNA damage inhibition activities of 4-Aryl-N-(4-arylthiazol-2-yl)-5,6-dihydro-4H-1,3,4-oxadiazine-2-carboxamides

    Indian Academy of Sciences (India)

    K Shubakara; K B Umesha; N Srikantamurthy; J Chethan

    2014-11-01

    A series of 4-aryl--(4-pheny-thiazol-2-yl)-5,6-dihydro-4-1,3,4-oxadiazine-2-carboxamides were synthesized by condensing 4-aryl-5,6-dihydro-4-1,3,4-oxadiazine-2-carboxylic acid with 2-amino-4-aryl-thiazole derivatives. The newly synthesized molecules were characterized by spectral analysis and subjected to antioxidant and DNA damage inhibition studies.

  3. Synthesis of 5,10,15,20-Tetra[4-(N-ethylpiperazinyl)phenyl]-porphyrin and Its Interaction with DNA

    Institute of Scientific and Technical Information of China (English)

    郭灿城; 李和平; 张晓兵

    2005-01-01

    Piperazinyl-porphyrin, 5,10,15,20-tetra[4-(N-ethylpiperazinyl)phenyl]porphyrin (TEPPH2), was synthesized based on the special affinity of porphyrin to cancer cells and the antitumor activity of piperazine compounds. Its structure was characterized by UV-vis and 1H NMR spectra and elemental analysis. A model for the interaction between TEPPH2 and calf thymus DNA was built, and the binding mechanism was investigated by W-vis and fluorescence spectra. The results indicated that TEPPH2 could intercalate into the base pairs of DNA strongly. One calf thymus DNA molecule could bind 88 TEPPH2 molecules, and the binding constant K is 8.4×106 L-mol-1. The binding number and binding constant of TEPPH2 with DNA are higher than those of the known anti-tumor drugs,tetrakis(4-N-methylpyridyl)porphine and the Schiff bases Ca/sal-his and Ni/sal-aln.

  4. Towards a complete $A_4 \\times SU(5)$ SUSY GUT

    CERN Document Server

    Björkeroth, Fredrik; Varzielas, Ivo de Medeiros; King, Stephen F

    2015-01-01

    We propose a renormalisable model based on $A_4$ family symmetry with an $SU(5)$ grand unified theory (GUT) which leads to the minimal supersymmetric standard model (MSSM) with a two right-handed neutrino seesaw mechanism. Discrete $\\mathbb{Z}_9\\times \\mathbb{Z}_6$ symmetry provides the fermion mass hierarchy in both the quark and lepton sectors, while $\\mathbb{Z}_4^R$ symmetry is broken to $\\mathbb{Z}_2^R$, identified as usual R-parity. Proton decay is highly suppressed by these symmetries. We discuss both the $A_4$ and $SU(5)$ symmetry breaking sectors, including doublet-triplet splitting, Higgs mixing and the origin of the $\\mu$ term. The model provides an excellent fit (better than one sigma) to all quark and lepton (including neutrino) masses and mixing with spontaneous CP violation. With the $A_4$ vacuum alignments, $(0,1,1)$ and $(1,3,1)$, the model predicts the entire PMNS mixing matrix with no free parameters, up to a relative phase, selected to be $2\\pi/3$ from a choice of the nine complex roots of ...

  5. Synthesis and anticonvulsant activity of 7-benzylamino-4, 5-dihydro- [ 1, 2, 4] triazolo[ 4, 3-a] quinolines

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A series of 7-substituted-benzylamino-4, 5-dihydro-[ 1,2, 4]triazolo[4, 3-a] quinoline derivatives was synthesized and evaluated for their anticonvulsant activity. The subcutaneous pentylenetetrazole test (sc-PTZ) demonstrated that the most effective compound in controlling the sc-PTZ induced seizure was 7-(3-bromine-benzylamino)-4, 5-dihydro-[ 1,2, 4]triazolo[4, 3-a]quinoline (4j) with an ED50 of 5.0 mg/kg and the PI of 20.7, which was also safer than the reference drugs. And the maximal electroshock test (MES)demonstrated that among these derivatives, 7-(3-fluorobenzylamino) -4, 5-dihydro-[ 1,2, 4]trizolo[4, 3-a]quinoline (4i), with an ED50 of 15.3 mg/kg and the PI of 7.2, was the safest in MES test. Furthermore, their neurotoxicities were measured by the rotarod neurotoxicity test, and the results showed that all derivatives possessed lower neurotoxicity.

  6. Johnston Atoll Site 4P 7/1/2000 4-5M

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — One-meter-square (1 meter x 1 meter) benthic substrate at Johnston Atoll, site 4P (16 46.246N, 169 30.337W), between 4 and 5 meters along a permanent transect.

  7. French Frigate Shoals Site P4 7/16/2001 4-5M

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — One-meter-square (1 meter x 1 meter) benthic substrate at French Frigate Shoals, site P4 (23.864 N, 166.211 W), between 4 and 5 meters along a permanent transect.

  8. Longitudinal study on morbidity and mortality in white veal calves in Belgium

    Directory of Open Access Journals (Sweden)

    Pardon Bart

    2012-03-01

    Full Text Available Abstract Background Mortality and morbidity are hardly documented in the white veal industry, despite high levels of antimicrobial drug use and resistance. The objective of the present study was to determine the causes and epidemiology of morbidity and mortality in dairy, beef and crossbred white veal production. A total of 5853 calves, housed in 15 production cohorts, were followed during one production cycle. Causes of mortality were determined by necropsy. Morbidity was daily recorded by the producers. Results The total mortality risk was 5,3% and was significantly higher in beef veal production compared to dairy or crossbreds. The main causes of mortality were pneumonia (1.3% of the calves at risk, ruminal disorders (0.7%, idiopathic peritonitis (0.5%, enterotoxaemia (0.5% and enteritis (0.4%. Belgian Blue beef calves were more likely to die from pneumonia, enterotoxaemia and arthritis. Detection of bovine viral diarrhea virus at necropsy was associated with chronic pneumonia and pleuritis. Of the calves, 25.4% was treated individually and the morbidity rate was 1.66 cases per 1000 calf days at risk. The incidence rate of respiratory disease, diarrhea, arthritis and otitis was 0.95, 0.30, 0.11 and 0.07 cases per 1000 calf days at risk respectively. Morbidity peaked in the first three weeks after arrival and gradually declined towards the end of the production cycle. Conclusions The present study provided insights into the causes and epidemiology of morbidity and mortality in white veal calves in Belgium, housed in the most frequent housing system in Europe. The necropsy findings, identified risk periods and differences between production systems can guide both veterinarians and producers towards the most profitable and ethical preventive and therapeutic protocols.

  9. Production of C4 and C5 branched-chain alcohols by engineered Escherichia. coli.

    Science.gov (United States)

    Chen, Xiaoyan; Xu, Jingliang; Yang, Liu; Yuan, Zhenhong; Xiao, Shiyuan; Zhang, Yu; Liang, Cuiyi; He, Minchao; Guo, Ying

    2015-11-01

    Higher alcohols, longer chain alcohols, contain more than 3 carbon atoms, showed close energy advantages as gasoline, and were considered as the next generation substitution for chemical fuels. Higher alcohol biosynthesis by native microorganisms mainly needs gene expression of heterologous keto acid decarboxylase and alcohol dehydrogenases. In the present study, branched-chain α-keto acid decarboxylase gene from Lactococcus lactis subsp. lactis CICC 6246 (Kivd) and alcohol dehydrogenases gene from Zymomonas mobilis CICC 41465 (AdhB) were transformed into Escherichia coli for higher alcohol production. SDS-PAGE results showed these two proteins were expressed in the recombinant strains. The resulting strain was incubated in LB medium at 37 °C in Erlenmeyer flasks and much more 3-methyl-1-butanol (104 mg/L) than isobutanol (24 mg/L) was produced. However, in 5 g/L glucose-containing medium, the production of two alcohols was similar, 156 and 161 mg/L for C4 (isobutanol) and C5 (3-methyl-1-butanol) alcohol, respectively. Effects of fermentation factors including temperature, glucose content, and α-keto acid on alcohol production were also investigated. The increase of glucose content and the adding of α-keto acids facilitated the production of C4 and C5 alcohols. The enzyme activities of pure Kivd on α-ketoisovalerate and α-ketoisocaproate were 26.77 and 21.24 μmol min(-1) mg(-1), respectively. Due to its ability on decarboxylation of α-ketoisovalerate and α-ketoisocaproate, the recombinant E. coli strain showed potential application on isoamyl alcohol and isobutanol production.

  10. Synthesis of 6-Substituted-2,4-Diamino-5,6,7,8-Tetrahydropyrimido (4-5-d) Pyrimidines. Revised.

    Science.gov (United States)

    1981-07-01

    some cases the reaction was carried out with the free bases in the presence of a few drops of conc HCI (pH=4). In some experiments the Schiff base of...and without prior formation of the Schiff base we obtained after 24 h. ref luxing a mixture of insoluble yellow solid and 5a in nearly equal amounts. In...basic medium the reaction seemed 15 to favor tetrahydropyrimidopyrimidine formation. Thus, equimolar quantitites of 1 and the Schiff base of 3,4

  11. 5-Azido-4-dimethylamino-1-methyl-1,2,4-triazolium Hexafluoridophosphate and Derivatives

    Directory of Open Access Journals (Sweden)

    Gerhard Laus

    2016-02-01

    Full Text Available 5-Azido-4-(dimethylamino-1-methyl-1,2,4-triazolium hexafluoridophosphate was synthesized from the corresponding 5-bromo compound with NaN3. Reaction with bicyclo[2.2.1]hept-2-ene yielded a tricyclic aziridine, addition of an N-heterocyclic carbene resulted in a triazatrimethine cyanine, and reduction with triphenylphosphane gave the 5-amino derivative. The crystal structures of three nitrogen-rich salts were determined. Thermoanalysis of the cationic azide and triazene showed exothermal decomposition. The triazene exhibited negative solvatochromism in polar solvents involving the dipolarity π* and hydrogen-bond donor acidity α of the solvent.

  12. Regulation of autophagy in cardiomyocytes by Ins(1,4,5)P(3) and IP(3)-receptors.

    Science.gov (United States)

    Wong, Albert; Grubb, David R; Cooley, Nicola; Luo, Jieting; Woodcock, Elizabeth A

    2013-01-01

    Autophagy is a process that removes damaged proteins and organelles and is of particular importance in terminally differentiated cells such as cardiomyocytes, where it has primarily a protective role. We investigated the involvement of inositol(1,4,5)trisphosphate (Ins(1,4,5)P(3)) and its receptors in autophagic responses in neonatal rat ventricular myocytes (NRVM). Treatment with the IP(3)-receptor (IP(3)-R) antagonist 2-aminoethoxydiphenyl borate (2-APB) at 5 or 20 μmol/L resulted in an increase in autophagosome content, defined as puncta labeled by antibody to microtubule associated light chain 3 (LC3). 2-APB also increased autophagic flux, indicated by heightened LC3II accumulation, which was further enhanced by bafilomycin (10nmol/L). Expression of Ins(1,4,5)P(3) 5-phosphatase (IP(3)-5-Pase) to deplete Ins(1,4,5)P(3) also increased LC3-labeled puncta and LC3II content, suggesting that Ins(1,4,5)P(3) inhibits autophagy. The IP(3)-R can act as an inhibitory scaffold sequestering the autophagic effector, beclin-1 to its ligand binding domain (LBD). Expression of GFP-IP(3)-R-LBD inhibited autophagic signaling and furthermore, beclin-1 co-immunoprecipitated with the IP(3)-R-LBD. A mutant GFP-IP(3)-R-LBD with reduced ability to bind Ins(1,4,5)P(3) bound beclin-1 and inhibited autophagy similarly to the wild type sequence. These data provide evidence that Ins(1,4,5)P(3) and IP(3)-R act as inhibitors of autophagic responses in cardiomyocytes. By suppressing autophagy, IP(3)-R may contribute to cardiac pathology.

  13. 4-(Piperidin-1-yl)-4H-benzo[b]tetra­zolo[1,5-d][1,4]diazepin-5(6H)-one

    Science.gov (United States)

    Nichol, Gary S.; Xu, Zhigang; Kaiser, Christine E.; Hulme, Christopher

    2011-01-01

    There are two crystallographically unique mol­ecules present in the asymmetric unit of the title compound, C14H16N6O; in both mol­ecules, the seven-membered diazepinone ring adopts a boat-like conformation and the chair conformation piperidine ring is an axial substituent on the diazepinone ring. In the crystal, each mol­ecule forms hydrogen bonds with its respective symmetry equivalents. Hydrogen bonding between mol­ecule A and symmetry equivalents forms two ring motifs, the first formed by inversion-related N—H⋯O inter­actions and the second formed by C—H⋯O and C—H⋯N inter­actions. The combination of both ring motifs results in the formation of an infinite double tape, which propagates in the a-axis direction. Hydrogen bonding between mol­ecule B and symmetry equivalents forms one ring motif by inversion-related N—H⋯O inter­actions and a second ring motif by C—H⋯O inter­actions, which propagate as a single tape parallel with the c axis. PMID:21522729

  14. 4-(Piperidin-1-yl)-4H-benzo[b]tetra-zolo[1,5-d][1,4]diazepin-5(6H)-one.

    Science.gov (United States)

    Nichol, Gary S; Xu, Zhigang; Kaiser, Christine E; Hulme, Christopher

    2010-12-04

    There are two crystallographically unique mol-ecules present in the asymmetric unit of the title compound, C(14)H(16)N(6)O; in both mol-ecules, the seven-membered diazepinone ring adopts a boat-like conformation and the chair conformation piperidine ring is an axial substituent on the diazepinone ring. In the crystal, each mol-ecule forms hydrogen bonds with its respective symmetry equivalents. Hydrogen bonding between mol-ecule A and symmetry equivalents forms two ring motifs, the first formed by inversion-related N-H⋯O inter-actions and the second formed by C-H⋯O and C-H⋯N inter-actions. The combination of both ring motifs results in the formation of an infinite double tape, which propagates in the a-axis direction. Hydrogen bonding between mol-ecule B and symmetry equivalents forms one ring motif by inversion-related N-H⋯O inter-actions and a second ring motif by C-H⋯O inter-actions, which propagate as a single tape parallel with the c axis.

  15. 2-(H-酸偶氮)-4,5-二硝基苯酚与钍的显色反应研究及其应用%STUDY ON THE COLOR REACTION OF THORIUM(Ⅵ) WITH THE NEW REAGENT 5-(2-HYDROXY-4,5-DINITROPHENYLAZO)-4-HYDROXY-2,7-NAPHTHALENE DISULFONIC ACID AND ITS APPLICATION

    Institute of Scientific and Technical Information of China (English)

    董学畅; 戴云; 黄俊; 杨光宇

    2002-01-01

    研究了2-(H-酸偶氮)-4,5二硝基苯酚(HADNP)与钍的显色反应,在pH 5.5 HOAcNaOAc缓冲介质中,溴化十六烷基吡啶(CPB)存在下,HADNP与钍反应生成2:1稳定紫红色络合物,λmax=620nm,ε=1.23×105L@mol-1@cm-1.钍含量在0~30μg/25ml内符合比耳定律,方法用于环境水样品中钍含量的测定,结果满意.

  16. Pharmaceutical policy regarding generic drugs in Belgium.

    Science.gov (United States)

    Simoens, Steven; De Bruyn, Kristien; Bogaert, Marc; Laekeman, Gert

    2005-01-01

    Pressure to control pharmaceutical expenditure and price competition among pharmaceutical companies are fuelling the development of generic drug markets in EU countries. However, in Belgium, the market for generic drugs is underdeveloped compared with other countries. To promote the use of generic drugs, the government introduced a reference pricing (RP) scheme in 2001. The aim of this paper is to discuss Belgian pharmaceutical policy regarding generic drugs and to analyse how the Belgian drug market has evolved following initiation of the RP scheme. The market share held by generic drugs increased following implementation of the RP scheme. Focusing on volume, average market share (by semester) for generic drugs amounted to 2.05% of the total pharmaceutical market from January 1998 to June 2001, compared with 6.11% from July 2001 to December 2003. As new generic drugs are introduced, their market share tends to increase in the first couple of months, after which it levels off. Faced with increasing generic competition, some manufacturers have launched new variants of their original drug, thereby effectively extending the period of patent protection. Strategies consisting of price reductions in return for the abolition of prescribing conditions and the launch of new dosages or formulations appear to have been successful in maintaining the market share of original drugs. Nevertheless, the introduction of the RP scheme was associated with savings amounting to 1.8% of pharmaceutical expenditure by the third-party payer in 2001 and 2.1% in 2002. The findings of this paper indicate that the RP scheme has stimulated the Belgian generic drug market. However, existing policy has largely failed to take into account the role that physicians and pharmacists can play in stimulating generic drug use. Therefore, further development of the Belgian generic drug market seems to hinge on the creation of appropriate incentives for physicians to prescribe, and for pharmacists to

  17. Creatine is a scavenger for methylglyoxal under physiological conditions via formation of N-(4-methyl-5-oxo-1-imidazolin-2-yl)sarcosine (MG-HCr).

    Science.gov (United States)

    Löbner, Jürgen; Degen, Julia; Henle, Thomas

    2015-03-04

    Following incubation of methylglyoxal and creatine under physiological conditions, N-(4-methyl-5-oxo-1-imidazolin-2-yl)sarcosine (MG-HCr) was isolated and identified by NMR and mass spectrometry. Due to its rapid formation, MG-HCr represents a specific product following "scavenging" of methylglyoxal by creatine. Using hydrophilic interaction chromatography coupled to mass spectrometry, MG-HCr was analyzed in urine samples of healthy volunteers. Daily MG-HCr excretion of nonvegetarians ranged from 0.35 to 3.84 μmol/24 h urine (median: 0.90 μmol/24 h urine) and of vegetarians from 0.11 to 0.31 μmol/24 h urine (median: 0.19 μmol/24 h urine), indicating that formation of MG-HCr in vivo is influenced by the dietary intake of creatine. The trapping of methylglyoxal by creatine may delay the formation of advanced glycation compounds in vivo and, therefore, could be of special importance in situations in which the body has to deal with pathophysiologically increased amounts of dicarbonyl compounds ("carbonyl stress"), for instance in diabetic patients.

  18. Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5

    Science.gov (United States)

    Majzlan, J.; Navrotsky, A.; McCleskey, R.B.; Alpers, C.N.

    2006-01-01

    Enthalpies of formation of ferricopiapite [nominally Fe4.67(SO4)6(OH)2 (H2O)20]. coquimbite [Fe2(SO4)3(H2O)9], rhomboclase [(H3O)Fe(SO4)2 (H2O)3], and Fe2(SO4)3(H2O)5 were measured by acid (5 N HCl) solution calorimetry. The samples were characterized by wet chemical analyses and synchrotron powder X-ray diffraction (XRD). The refinement of XRD patterns gave lattice parameters, atomic positions, thermal factors, and occupancies of the sites. The calculated formulae differ slightly from the nominal compositions: Fe4.78(SO4)6 (OH)2.34(H2O)20.71 (ferricopiapite), (Fe1.47Al0.53)(SO4)3 (H2O)9.65 (coquimbite), (H3O)1.34Fe(SO4)2.17 (H2O)3.06 (rhomboclase), and Fe2(SO4)3 (H2O)5.03. All thermodynamic data are given per mole of these formulae. The measured standard enthalpies (in kJ/mol) of formation from the elements (crystalline Fe, Al, S, and ideal gases O2 and H2) at T = 298.15 K are -4115.8??4.1 [Fe2(SO4)3 (H2O)5.03], -12045.1??9.2 (ferricopiapite), -5738.4??3.3 (coquimbite), and -3201.1??2.6 (rhomboclase). Standard entropy (S??) was estimated as a sum of entropies of oxide, hydroxide, and sulfate components. The estimated S?? (in J/mol.K) values for the iron sulfates are 488.2 [Fe2(SO4)3 (H2O)5.03], 1449.2 (ferricopiapite), 638.3 (coquimbite), and 380.1 (rhomboclase). The calculated Gibbs free energies of formation (in kJ/mol) are -3499.7??4.2 [Fe2(SO4)3 (H2O)5.03], -10089.8??9.3 (ferricopiapite), -4845.6??3.3 (coquimbite), and -2688.0??2.7 (rhomboclase). These results combined with other available thermodynamic data allow construction of mineral stability diagrams in the FeIII2(SO4)3-FeII SO4-H2O system. One such diagram is provided, indicating that the order of stability of ferric sulfate minerals with decreasing pH in the range of 1.5 to -0.5 is: hydronium jarosite, ferricopiapite, and rhomboclase. ?? 2006 E. Schweizerbart'sche Verlagsbuchhandlung.

  19. 2-(2,4-Dichlorophenyl-3-[5-(3,5-dimethylphenyl-1,3,4-thiadiazol-2-yl]thiazolidin-4-one

    Directory of Open Access Journals (Sweden)

    Rong Wan

    2008-01-01

    Full Text Available The title compound, C19H15Cl2N3OS2, was synthesized by the reaction of N-(2,4-dichlorophenyl-5-(3,5-dimethylphenyl-1,3,4-thiadiazol-2-amine and mercaptoacetic acid. The thiazolidinone ring adopts a twist conformation. The 2,4-dichlorophenyl ring is almost perpendicular to the thiadiazole ring, the dihedral angle being 82.8 (2°. The 3,5-dimethylphenyl ring is nearly coplanar with the thiadiazole ring, the dihedral angle being 2.7 (2°. An intramolecular C—H...N hydrogen bond is present.

  20. PPIP5K1 modulates ligand competition between diphosphoinositol polyphosphates and PtdIns(3,4,5)P3 for polyphosphoinositide-binding domains.

    Science.gov (United States)

    Gokhale, Nikhil A; Zaremba, Angelika; Janoshazi, Agnes K; Weaver, Jeremy D; Shears, Stephen B

    2013-08-01

    We describe new signalling consequences for PPIP5K1 (diphosphoinositol pentakisphosphate kinase type 1)-mediated phosphorylation of InsP6 and 5-InsP7 to 1-InsP7 and InsP8. In NIH 3T3 cells, either hyperosmotic stress or receptor activation by PDGF (platelet-derived growth factor) promoted translocation of PPIP5K1 from the cytoplasm to the plasma membrane. The PBD1 (polyphosphoinositide-binding domain) in PPIP5K1 recapitulated that translocation. Mutagenesis of PBD1 to reduce affinity for PtdIns(3,4,5)P3 prevented translocation. Using surface plasmon resonance, we found that PBD1 association with vesicular PtdIns(3,4,5)P3 was inhibited by InsP6 and diphosphoinositol polyphosphates. However, the inhibition by PPIP5K1 substrates (IC50: 5-InsP7=5 μM and InsP6=7 μM) was substantially more potent than that of the PPIP5K1 products (IC50: InsP8=32 μM and 1-InsP7=43 μM). This rank order of ligand competition with PtdIns(3,4,5)P3 was also exhibited by the PH (pleckstrin homology) domains of Akt (also known as protein kinase B), GRP1 (general receptor for phosphoinositides 1) and SIN1 (stress-activated protein kinase-interaction protein 1). We propose that, in vivo, PH domain binding of InsP6 and 5-InsP7 suppresses inappropriate signalling ('noise') from stochastic increases in PtdIns(3,4,5)P3. That restraint may be relieved by localized depletion of InsP6 and 5-InsP7 at the plasma membrane following PPIP5K1 recruitment. We tested this hypothesis in insulin-stimulated L6 myoblasts, using mTOR (mechanistic/mammalian target of rapamycin)-mediated phosphorylation of Akt on Ser473 as a readout for SIN1-mediated translocation of mTORC (mTOR complex) 2 to the plasma membrane [Zoncu, Efeyan and Sabatini (2011) Nat. Rev. Mol. Cell Biol. 12, 21-35]. Knockdown of PPIP5K1 expression was associated with a 40% reduction in Ser473 phosphorylation. A common feature of PtdIns(3,4,5)P3-based signalling cascades may be their regulation by PPIP5K1.

  1. Midway Atoll Site P19 12/5/2002 4-5M

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — One-meter-square (1 meter x 1 meter) benthic substrate at Midway Atoll, site P19 (28.193 N, 177.401 W), between 4 and 5 meters along a permanent transect.

  2. Stimulation of the faecal excretion of 2,4,5,2',4',5'-hexachlorobiphenyl in rats by squalane.

    Science.gov (United States)

    Richter, E; Schäfer, S G; Fichtl, B

    1983-06-01

    Faecal excretion of 2,4,5,2',4',5'-hexachlorobiphenyl (6-CB) was followed for 19 weeks in rats fed a control diet, or a squalane-supplemented diet, for up to 17 weeks. In 3 d after a single oral dose of 8 mg/kg of 6-CB, 20% dose was excreted in faeces as unchanged 6-CB, which probably represents that not-absorbed. From day 4 to 133 only an additional 2-4% dose was excreted in faeces by control animals. Addition of 8% squalane to the diet 2, 6 and 15 weeks after dosing resulted in a five-fold increase of daily 6-CB excretion in faeces independent of the time of beginning the treatment. Total excretion of 6-CB in faeces from day 4 to 133 was 3.6, 6-7 and 9.3% dose after 4, 13 and 17 weeks of squalane treatment, respectively. No adverse effects of long-term squalane treatment on body-weight gain, feed efficiency and organ weights were observed. Plasma cholesterol and triglycerides were significantly lowered. Independent of the duration of treatment, the livers of rats fed the squalane-supplemented diet contained 40-50 micrograms/g squalane. Within the limits of detection no squalane could be found in lungs, kidneys, abdominal fat, spleen and blood. It is concluded that 6-CB elimination can be enhanced by oral treatment with squalane even a long time after uptake of the poison. As there was no alteration in the tissue distribution of 6-CB, the 6-CB excreted after squalane treatment probably originates from all tissues.

  3. CO investigation of z=0.4-1.5 galaxies

    CERN Document Server

    Melchior, A -L

    2007-01-01

    We report on the results of an IRAM-30m search for CO emission lines in three galaxies at intermediate redshifts. The idea was to investigate the molecular content of galaxies bright in the infrared at z=0.4-1.5, a redshift desert for molecular line studies, poorly investigated as of yet. We integrated 8-10h per source and did not succeed in detecting any of the sources. From our upper limits, we are able to constrain the molecular gas content in these systems to less than 4 to 8 x 10^9 Mo, assuming a CO-to-H_2 conversion factor (\\alpha=0.8 Mo/(K km s^-1 pc^2)). We stress the current difficulty of selecting sources with a detectable molecular content, a problem that will be faced by the ALMA First Science projects.

  4. N,N′-Dicyclohexylnaphthalene-1,8;4:5-dicarboximide

    Directory of Open Access Journals (Sweden)

    Manju Rajeswaran

    2008-09-01

    Full Text Available The title compound, C26H26N2O4, synthesized by the reaction of naphthalene-1,4,5,8-tetracarboxylic acid anhydride and cyclohexylamine, exhibits good n-type semiconducting properties. Accordingly, thin-film transistor devices comprising this compound show n-type behavior with high field-effect electron moblity ca 6 cm2/Vs [Shukla, Nelson, Freeman, Rajeswaran, Ahearn, Meyer & Carey(2008. Chem. Mater. Submitted]. The asymmetric unit comprises one-quarter of the centrosymmetric molecule in which all but two methylene C atoms of the cyclohexane ring lie on a mirror plane; the point-group symmetry is 2/m. The naphthalenediimide unit is strictly planar, and the cyclohexane rings adopt chair conformations with the diimide unit in an equatorial position on each ring.

  5. Media awards for responsible reporting of suicide: Experiences from Australia, Belgium and Denmark

    DEFF Research Database (Denmark)

    Dare, Andrew J; Andriessen, Karl Am; Nordentoft, Merete;

    2011-01-01

    Media awards to encourage responsible reporting of suicide have been introduced in several countries, including Australia, Belgium and Denmark.......Media awards to encourage responsible reporting of suicide have been introduced in several countries, including Australia, Belgium and Denmark....

  6. 2-(4-Fluorophenyl-5-iodo-3-methylsulfinyl-1-benzofuran

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2010-01-01

    Full Text Available In the title compound, C15H10FIO2S, the O atom and the methyl group of the methylsulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment. The 4-fluorophenyl ring is rotated out of the benzofuran plane by a dihedral angle of 28.33 (5°. The crystal structure is stabilized by a weak non-classical intermolecular C—H...O hydrogen bond and an I...O halogen interaction [3.211 (1 Å].

  7. 5-Chloro-3-(4-fluorophenylsulfonyl-2-methyl-1-benzofuran

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2010-09-01

    Full Text Available In the title compound, C15H10ClFO3S, the 4-fluorophenyl ring makes a dihedral angle of 75.83 (5° with the plane of the benzofuran fragment. In the crystal, weak intermolecular C—H...O hydrogen bonds link the molecules into centrosymmetric dimers, which are further linked via an aromatic π–π interaction between the benzene rings of adjacent molecules [centroid–centroid distance = 3.510 (2 Å].

  8. Thermal conductivity of Cu–4.5 Ti alloy

    Indian Academy of Sciences (India)

    S Nagarjuna

    2004-02-01

    The thermal conductivity (TC) of peak aged Cu–4.5 wt% Ti alloy was measured at different temperatures and studied its variation with temperature. It was found that TC increased with increasing temperature. Phonon and electronic components of thermal conductivity were computed from the results. The alloy exhibits an electronic thermal conductivity of 46.45 W/m.K at room temperature. The phonon thermal conductivity decreased with increasing temperature from 17.6 at 0 K to 1.75 W/m.K at 298 K, which agrees with literature that the phonon component of thermal conductivity is insignificant at room temperature.

  9. Refurbishment of BR2 (Phases 4 and 5)

    Energy Technology Data Exchange (ETDEWEB)

    Gubel, P.; Dekeyser, J.; Van Der Auwera, J

    1998-07-01

    The BR2 is a materials testing reactor and is SCK-CEN's most important nuclear facility. After an extensive refurbishment to compensate for the ageing of the installation, the reactor was restarted in April 1997. In phase 4 of the refurbishment programme, various activities were performed to allow reactor start-up. In phase 5, remaining refurbishment works were carried out as well as the extra studies and upgradings required by the licensing authorities. Major achievements in 1997 are described and discussed.

  10. 2-Hydroxy-5-nitrobenzaldehyde 2,4-dinitrophenylhydrazone

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2008-04-01

    Full Text Available In the title compound, C13H9N5O7, one of the nitro groups is twisted away from the attached benzene ring by 16.21 (8°. The dihedral angle between the two benzene rings is 4.63 (1°. The molecular structure is stabilized by intramolecular N—H...O and O—H...N hydrogen bonds which generate an S(6 ring motif. The molecules pack as layers parallel to the ab plane; molecules of adjacent layers are linked into chains along the [101] direction through N—H...O hydrogen bonds.

  11. Updated checklist of the mosquitoes (Diptera: Culicidae) of Belgium.

    Science.gov (United States)

    Boukraa, Slimane; Dekoninck, Wouter; Versteirt, Veerle; Schaffner, Francis; Coosemans, Marc; Haubruge, Eric; Francis, Frederic

    2015-12-01

    Most information about the systematics and bioecology of Belgian mosquitoes dates back from before 1950, and only scattered information was produced during the last decades. In this paper we review and update the list of mosquito species recorded in Belgium, from first report (1908) to 2015. Six genera and 31 species were recorded so far, including 28 autochthonous species and three invasive alien species recently recorded in Belgium: Aedes albopictus (Skuse 1894), Ae. japonicus japonicus (Theobald 1901), and Ae. koreicus (Edwards 1917). The six genera are Anopheles (five species), Aedes (sixteen species), Coquillettidia (one species), Culex (four species), Culiseta (four species), and Orthopodomyia (one species).

  12. Extraction and separation of thorium and rare earths with 5,11,17,23-tetra (diethoxyphosphoryl)-25,26,27,28-tetraacetoxycalix [4] arene

    Institute of Scientific and Technical Information of China (English)

    LI Yanling; LU Youcai; BAI Yan; LIAO Wuping

    2012-01-01

    A calixarene derivative,5,11,17,23-tetra(diethoxyphosphoryl)-25,26,27,28-tetraacetoxycalix[4]arene (L),was studied for the extraction and separation of thorium and rare earths in nitrate medium.Thorium was extracted into the organic phase by a complex of Th(NO3)4·L with the logarithm of the equilibrium constant of 2.77.Thermodynamic functions,△H,△G and △S were calculated to be -2.49,-15.55 kJ/mol and 44.53 J/(mol·K),respectively.The results indicated that this calixarene derivative might be used to separate thorium from rare earths and the separation factors were larger than 26.However,the salting-out agents affected the separation.

  13. Voltammetric determination of isoproterenol using a 5-amino-2′,4′-dimethoxybiphenyl-2-ol modified carbon nanotube paste electrode

    Institute of Scientific and Technical Information of China (English)

    Hadi Beitollahi; Hojatollah Khabazzadeh; Hassan Karimi-Maleh; Ali Akbari

    2012-01-01

    A new electrochemical sensor for determination ofisoproterenol (IP) is described.The sensor is based on carbon paste electrode (CPE) modified with 5-amino-2',4'-dimethoxybiphenyl-2-ol (5ADMB) and takes the advantages of carbon nanotubes (CNTs).Under the optimum pH of 7.0,the oxidation of IP occurs at a potential about 210 mV less positive than that of the unmodified CPE.The oxidation currents increased linearly with two concentration intervals of IP,one is 0.09 to 20.0 μmol/L and,the other is 20.0 to 400.0 μmol/L.The detection limit (3σ) obtained by square wave voltammetry (SWV) was 39.0 nmol/L.The practical application of the modified electrode was demonstrated by determining IP in IP ampoule,urine and human blood serum samples.

  14. Bis(μ-4-amino-3,5-dimethyl-4H-1,2,4-triazolebis[diiodidozinc(II

    Directory of Open Access Journals (Sweden)

    Xiangyang Wu

    2011-01-01

    Full Text Available In the title compound, [Zn2I4(C4H8N42], the ZnII atom is coordinated in a distorted tetrahedral geometry by two N atoms from the triazole rings of two 4-amino-3,5-dimethyl-4H-1,2,4-triazole (admt ligands and two iodide ligands. Doubly bridging admt ligands connect two ZnII atoms, forming a centrosymmetric dimer. Weak N—H...I and C—H...I hydrogen bonds play an important role in the intermolecular packing.

  15. N-(3,5-Dimethyl­phen­yl)-4-nitro­benzene­sulfonamide

    Science.gov (United States)

    Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme

    2012-01-01

    There are two independent mol­ecules in the asymmetric unit of the title compound, C14H14N2O4S, in which the dihedral angles between the benzene rings are 56.22 (15) and 58.16 (14)°. In the crystal, N—H⋯Onitro hydrogen bonds link the mol­ecules into zigzag chains running along the a-axis direction. PMID:23476244

  16. {1-[(3,5-Dimethyl-4H-1,2,4-triazol-4-ylimino]ethyl}ferrocene

    Directory of Open Access Journals (Sweden)

    Mao-Ping Song

    2008-10-01

    Full Text Available In the title compound, [Fe(C5H5(C11H13N4], the triazolyl and Cp ring form a dihedral angle of 76.6 (3°. In the crystal structure, there are both intra- and intermolecular C—H...π interactions, forming a one-dimensional chain structure along [010].

  17. Synthesis, Molecular Docking, Molecular Dynamics Studies, and Biological Evaluation of 4H-Chromone-1,2,3,4-tetrahydropyrimidine-5-carboxylate Derivatives as Potential Antileukemic Agents.

    Science.gov (United States)

    Dolatkhah, Zahra; Javanshir, Shahrzad; Sadr, Ahmad Shahir; Hosseini, Jaber; Sardari, Soroush

    2017-06-26

    A series of 4H-chromone-1,2,3,4-tetrahydropyrimidine-5-carboxylates derivatives were synthesized via a three component one-pot condensation of chromone-3-carbaldehyde, alkyl acetoacetate, and urea or thiourea, using MCM-41-SO3H as efficient nanocatalysts and evaluated for their anticancer activity using a combined in silico docking and molecular dynamics protocol to estimate the binding affinity of the title compounds with the Bcr-Abl oncogene. Two programs, AutoDock 4 and AutoDock Vina software were applied to dock the target protein with synthesized compounds and ATP. AutoDock runs resulted in binding energy scores from -7.8 to -10.16 kcal/mol for AutoDock 4 and -6.9 to -8.5 (kcal/mol) for AutoDock Vina. Furthermore, molecular dynamics (MD) simulations are performed using Gromacs for up to 20 ns simulation time investigating the stability of a ligand-protein complex. Finally, a theoretical experiment using MD simulation for 10 ns was performed without defining the initial coordinates, and the affinity binding of ligand to receptors was directly studied, which revealed that the ligand approaches the active sites. The relative free binding energy for the structure 06 (S06), which has the highest binding energy in Autodock 4 and Autodock Vina (-10.10 and -8.5 kcal/mol, respectively), was also evaluated by molecular mechanics (MM) with Poisson-Boltzmann (PB) and a surface area solvation (MM-PBSA) method using g_mmpbsa tools for the last 15 ns MD. On the basis of binding energy scores, a negative binding energy value of 73.6 kcal/mol, S06, was recognized as the dominant potential inhibitors. The cytotoxic properties of S06 was evaluated against three cell lines, acute T cell leukemia (Jurkat), human chronic myelogenous leukemia, (K562) and human foreskin fibroblast (Hu02) using the microculture tetrazolium test MTT assay. Cisplatin was used as the reference agent. The results indicated that S06 has a higher safety index (SI = 0.73, IC50 = 152.64 μg/mL for Jurkat and

  18. Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-ylnicotinato]cobalt(II

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    Zhong-Jing Huang

    2010-12-01

    Full Text Available In the title complex, [Co(C13H14N3O32(H2O2], the CoII atom has a distorted octahedral coordination, formed by four N atoms from two (±-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-ylnicotinate ligands and two O atoms from two water molecules. Intramolecular N—H...O and O—H...O hydrogen bonds are present. In the crystal, intermolecular O—H...O hydrogen bonds link the complex molecules into a chain along [010].

  19. Synthesis of Schiff and Mannich Bases of Isatin Derivatives with 4-Amino-4,5-Dihydro-1H-1,2,4-Triazole-5-Ones

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    Hakan Bektas

    2008-09-01

    Full Text Available Ethyl imidate hydrochlorides 1 were prepared by passing HCl gas through solutions of substituted benzyl cyanides and absolute ethanol. Ethoxycarbonylhydrazones 2 were synthesized from the reaction of compounds 1 with ethyl carbazate. Treatment of 2 with hydrazine hydrate leads to the formation of substituted 4-amino-4,5-dihydro-1H-1,2,4-triazole-5-ones 3. Isatin and 5-chloroisatin were added to 3 to form Schiff bases 4 and N-Mannich bases 5 of these compounds were synthesized by reacting with formaldehyde and piperidine. Their chemical structures were confirmed by means of IR, 1H- and 13C-NMR data and by elemental analysis.

  20. 4-[4-(4-Fluorophenyl-2-methyl-5-oxo-2,5-dihydroisoxazol-3-yl]-1-methylpyridinium iodide–4-[3-(4-fluorophenyl-2-methyl-5-oxo-2,5-dihydroisoxazol-4-yl]-1-methylpyridinium iodide (0.6/0.4

    Directory of Open Access Journals (Sweden)

    Simona Margutti

    2008-01-01

    Full Text Available The crystal structure of the title compound, C16H16FN2O2+·I−, was determined as part of a study of the biological activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK inhibitors. The X-ray crystal structure of 4-[4-(4-fluorophenyl-2-methyl-5-oxo-2,5-dihydroisoxazol-3-yl]-1-methylpyridinium iodide showed the presence of the regioisomer 4-[3-(4-fluorophenyl-2-methyl-5-oxo-2,5-dihydroisoxazol-4-yl]-1-methylpyridinium iodide. The synthesis of the former compound was achieved by reacting 4-(4-fluorophenyl-3-(4-pyridylisoxazol-5(2H-one after treatment with Et3N in dimethylformamide, with iodomethane. The unexpected formation of the regioisomer could be explained by a rearrangement occurring via aziridine of the isoxazolone compound. The regioisomers have site occupancies of 0.632 (4/0.368 (4. The two six members rings make a dihedral angle of 66.8 (2°.

  1. Property study of poly nitro compounds of cis-syn-cis-2, 6-dioxodecahydro-lH, 5H-diimidazo [4, 5-b: 4', 5'-e] pyrazine

    Science.gov (United States)

    Liu, Yang; Xu, Zhibin; Xu, Yudong; Xu, Liang; Meng, Zihui

    2017-03-01

    Poly nitro group substituted cis-syn-cis-2, 6-dioxodecahydro-lH, 5H-diimidazo [4, 5-b: 4', 5'-e] pyrazine derivatives are synthesized by modified method and adequately characterized. All compounds have good performance both in density (ρ> 1.85 g/cm3) and high detonation velocity (vD > 8800 m/s, calculated). Some representative compounds, for example, 4 (vD: 9405 ms-1; P: 41.6 GPa) and 5 (vD:9781 ms-1; P: 45.6 GPa) exhibit excellent detonation performances, which are comparable with current energetic compounds such as RDX (vD: 8724 ms-1; P: 35.2 GPa) and HMX (vD:9059 ms-1; P: 39.2 GPa). Considering the sensitivity increasing with the number of nitro group, two componds with tetranitro groups (2 and 3) are worthy of deep research.

  2. Effects of 5-aza-CdR on methylation and expression of PDCD4 gene in hepatocellular carcinoma cell line SMMC7721%5-aza-CdR对肝癌SMMC7721细胞株PDCD4基因甲基化及表达的影响

    Institute of Scientific and Technical Information of China (English)

    王家祥; 戴兵; 刘秋亮; 郭广成; 王佳辰

    2009-01-01

    Objective To investigate the effects of 5-aza-CdR on expression of programmed cell death factor 4 (PDCD4) in SMMC7721and explore its possible mechanism. Methods Hepatocellular carcinoma cell line SMMC7721 was cultivated with 5-aza-CdR inhibiting the expression of DNMT3b. Western blotting was used to determine the changes of DNMT3b and PDCD4 proteins and the methylation level of PDCD4's promoter was tested by methylation specific polymerase chain reaction(MSP). Results Using the 5-aza-CdR on concentration of 1×10-6mol/L and 5×10-6mol/L to cultivate SMMC7721, the expression of DNMT3b protein was decreased while the PDCD4 protein was increased. The methylation level of PDCD4's promoter was high in SMMC7721. However, after the treatment of 5-aza-CdR on concentration of 5×10-6mol/L, the promoter of PDCD4 had demethylation. Conclusion The expression of DNMT3b can be inhibited by 5-aza-CdR and DNMT3b may control the expression of PDCD4 in SMMC7721 by influencing the methylation status of its promoter.%目的 研究5-氮杂-2'-脱氧胞苷(5-aza-CdR)在肝癌细胞株SMMC7721中对程序性细胞死亡因子4(PDCD4)表达的影响及可能机制.方法 培养肝癌细胞株SMMC7721,用5-aza-CdR处理肝癌细胞株SMMC7721,Western-blotting检测DNMT3b、PDCD4蛋白在处理前后的变化,甲基化特异性PCR即MSP检测PDCD4基因启动子区域甲基化水平.结果 1×10~(-6)mol/L、5×10~(-6)mol/L的5-aza-CdR作用于SMMC7721细胞后,DNMT3b表达水平降低,而PDCD4表达水平升高,且浓度之间有差异;MSP示药物处理前PDCD4启动子区域处于高甲基化水平,在用5×10~(-6)mol/L药物处理后,其启动子发生了去甲基化.结论 5-aza-CdR可以抑制DNMT3b在SMMC7721中的表达,且可能通过改变抑癌基因PDCD4启动子甲基化状态影响PDCD4表达.

  3. 3,4′,5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

    Directory of Open Access Journals (Sweden)

    Hans-Joachim Lehmler

    2013-04-01

    Full Text Available Crystals of the title compound, C14H8Cl6O4S, are twinned by inversion, with unequal components [0.85 (3:0.15 (3]. The asymmetric unit contains two independent molecules that are related by a pseudo-inversion center. The Car—O [1.393 (9 and 1.397 (9 Å] and ester S—O bond lengths [1.600 (5 and 1.590 (5 Å] of both molecules are comparable to the structurally related 2,3,5,5-trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate. The dihedral angles between the benzene rings in the two molecules are 37.8 (2 and 35.0 (2°.

  4. Catalytic Dehydration of 4-Hydroxy-3-hexanone to 4-Hexen-3-one over HZSM-5 Zeolite

    Institute of Scientific and Technical Information of China (English)

    Huang Kai; Zheng Haitao; Tao Keyi

    2013-01-01

    A study on catalytic dehydration of 4-hydroxy-3-hexanone (HH) to 4-hexen-3-one (HO) was carried out through conversion of HH over HZSM-5 zeolite catalyst in a ifxed-bed reactor (FBR) operating under atmospheric pressure. The test indicated a relatively high activity of the HZSM-5 zeolite capable of achieving a HH conversion of 99.2% and a HO yield of 83.5%. Catalyst deactivation could be prevented by increasing the reaction temperature by 10℃ for every 20 h and adding 2.0% of piperidine in the feed. A catalyst stability test (for 100 h) in FBR showed that the catalyst was active even after 100 h of time-on-stream with HH conversion remaining at 99.2% and HO yield still reaching over 83.5%. Regenera-tion experiment showed that the regenerated catalyst demonstrated a catalytic performance comparable to the fresh one.

  5. Synthesis of AlPO4-5 and CrAPO-5 using aluminum dross.

    Science.gov (United States)

    Kim, Jun; Biswas, Kalidas; Jhon, Ki-Won; Jeong, Soon-Yong; Ahn, Wha-Seung

    2009-09-30

    AlPO(4)-5 and its chromium-containing analogue, CrAPO-5, were prepared using aluminum dross in the presence of triethylamine as a structure directing agent; both Al dross powder and an extracted precipitate from Al dross in an alkali solution were used as an aluminum source. These materials were characterized by XRD, BET surface area measurement, SEM, EDX, XRF, ESR, and UV-vis spectroscopy. Their textural properties were found close to those of the corresponding reference samples prepared using pure Al(OH)(3). CrAPO-5 samples prepared from the aluminum dross were tested as a catalyst for liquid phase oxidation of tetralin using t-butyl hydroperoxide as an oxidizing agent, which showed virtually identical catalytic performances to that obtained by a reference CrAPO-5 catalyst.

  6. Energetic Materials Based on 5,5'-Diamino-4,4'-dinitramino-3,3'-bi-1,2,4-triazole.

    Science.gov (United States)

    Klapötke, Thomas M; Leroux, Marcel; Schmid, Philipp C; Stierstorfer, Jörg

    2016-03-18

    A simple and straightforward synthesis of 5,5'-diamino-4,4'-dinitramino-3,3'-bi-1,2,4-triazole by the selective nitration of 4,4',5,5'-tetraamino-3,3'-bi-1,2,4-triazole is presented. The interaction of the amino and nitramino groups improves the energetic properties of this functionalized bitriazole. For a deeper investigation of these properties, various nitrogen-rich derivatives were synthesized. The new compounds were investigated and characterized by spectroscopy ((1)H and (13)C NMR, IR, Raman), elemental analysis, mass spectrometry, differential thermal analysis (DTA), X-ray analysis, and impact and friction sensitivities (IS, FS). X-ray analyses were performed and deliver insight into structural characteristics with which the stability of the compounds can be explained. The standard enthalpies of formation were calculated for all compounds at the CBS-4M level of theory, revealing highly positive heats of formation. The energetic performance of the new molecules was predicted with the EXPLO5 V6.02 computer. A small-scale shock reactivity test (SSRT) and a toxicity test gave a first impression of the performance and toxicity of selective compounds.

  7. 4 '-acetyl benzo-15-crown-5 2-naphthyloxyacetyl hydrazone

    Institute of Scientific and Technical Information of China (English)

    ZHOU Yan-qing; WEI Tai-bao; ZHANG You-ming; ZONG Guo-qiang

    2004-01-01

    Aryloxyacetic acid and its derivatives often possess many important biological activities.Some of them are used as herbicides and plant-growth regulators. In continuation of our previous work on synthesis and biological activities1,2,3, we decided to design series of compounds containing the aryloxyacetyl group and crown ether to study the variation of bioactivities and the effect of the substituents on the ability of the crown ether to bind metal ions4,5. Recently, we determined related crystal structures6,7,8 , in order to study both bioactivities and coordination behaviour. In view of these encouraging results, the structure of the title compound (Figure 1), was obtained and is reported here.Figure 1 The molecule configuration and atom-numbering schem for the title compound,showing ellipsoids at the 50% probability level.Crystals of the ritle compound, C28H32N2O7, is monoclinic, space group P2(1)/c, a = 8.808(3), b =24.579(7), c =11.984(4), α = 90.00, β = 97.248(6), γ = 90.00, Z = 4, Dx= 1. 313 Mg m-3 ,Mo K α, λ =0.71073 , = 9.5mm-1 , F(000) = 1080, T =293(2) K, R = 0.0594, wR=0.1184 for 2575reflections [I>2 σ (Ⅰ) ] .The title compound adopts a syn-anti conformation, which enables N2-H...O6 intermolecule hydrogen bonds to be formed between centrosymmetrically related molecules. The resulting eight-membered rings join these molecules together as characteristic dimmers.

  8. [Use of mesquite cotyledon (Prosopis chilensis (Mol) Shuntz) in the manufacturing of cereal bars].

    Science.gov (United States)

    Estévez, A M; Escobar, B; Ugarte, V

    2000-06-01

    Cereal bars with peanut and walnut has shown to be snack foods of good organoleptic characteristics and high caloric value, due to their content of protein, lipids and carbohydrates. Cotyledons of mezquite seeds have a high protein content which biological quality improves with thermal processing like toasting, microwave or moist heat under pressure. The purposes of this research were to study the use of mezquite cotyledon (Prosopis chilensis (Mol) Stuntz) in cereal bars with two different levels of peanut or walnut; and to determine the effect of two thermal treatment applied on the cotyledon upon the bar characteristics. Twelve different kind of bars were developed through the combination of two levels of peanut or walnut (15% and 18%); the use of mezquite cotyledon (0% and 6%); and the application of two thermal processing to the cotyledon (microwave and toasting). Cereal bars were analysed for chemical, physical and sensory characteristics: moisture, water activity, proximate chemical composition, sensory quality and acceptability. Moisture content of bars with peanut ranged between 10.4% and 10.9%; and for those with walnut, between 10.5% and 12.3%. Protein content was higher in the bars with mezquite cotiledon, being higher those with peanut. Thermal processing did not have any effect on the chemical composition. Bars with mezquite cotyledon treated by microwave showed a higher acceptability.

  9. Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium bis(4-methoxyphenyldiphosphonate

    Directory of Open Access Journals (Sweden)

    Mehmet Akkurt

    2014-03-01

    Full Text Available The asymmetric unit of the title salt, 2C17H21N2O2S+·C14H14O7P22−, contains half of a centrosymmetric bis(4-methoxyphenyldiphosphonate anion and one 2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium cation. In the anion, the O atoms of the diphosphonate group are disordered over two positions with equal occupancies. In the cation, the ethyl group is disordered over two orientations with a refined occupancy ratio of 0.753 (5:0.247 (5, and the tetrahydropyridinium ring adopts a distorted half-chair conformation. In the crystal, the ions are linked by C—H...O, N—H...O and C—H...S hydrogen bonds into a three-dimensional network.

  10. A novel positive feedback loop involving FASN/p-ERK1/2/5-LOX/LTB4/FASN sustains high growth of breast cancer cells

    Institute of Scientific and Technical Information of China (English)

    Nan HU; Yu LI; Yu ZHAO; Qi WANG; Jia-cong YOU; Xiao-dong ZHANG; Li-hong YE

    2011-01-01

    Aim: To investigate the endogenous signaling pathways associated with high proliferation potential of breast cancer cells.Methods: Breast cancer cell lines LM-MCF-7 and MCF-7 with high and low proliferation capability were used. The promoter activity of fatty acid synthase (FASN) was examined using luciferase reporter gene assay. The expression level of FASN mRNA was measured using RT-PCR and real time PCR, respectively. The level of leukotriene B4 (LTB4) was determined with ELISA. The expression levels of 5-lipoxygenase (5-LOX) was analyzed using RT-PCR and Western blot, respectively. 5-Bromo-20-deoxyuridine (BrdU) incorporation assay was used to study the proliferation of LM-MCF-7 and MCF-7 cells.Results: The promoter activity of FASN was significantly higher in LM-MCF-7 cells than MCF-7 cells. Treatment of LM-MCF-7 cells with ERK1/2 inhibitor PD98059 (30-50 μmol/L) or LOX inhibitor NDGA (25 μmol/L) abolished the activation of FASN. Moreover, treatment of LM-MCF-7 cells with the specific 5-LOX inhibitor MK-886 (20-40 μmol/L) or 5-LOX siRNA (50-100 nmol/L) decreased the promoter activity of FASN. The level of LTB4, the final metabolite produced by 5-LOX, was significantly higher in LM-MCF-7 cells than MCF-7 cells.Administration of exogenous LTB4 (1-10 nmol/L) was able to stimulate the promoter activity of FASN in MCF-7 cells. Treatment of LMMCF-7 cells with the FASN inhibitor cerulenin (10 μmol/L) reduced all the levels of p-ERK1/2, 5-LOX, and LTB4. Treatment of LM-MCF-7cells with cerulenin, PD98059, or MK-886 abolished the proliferation. Administration of exogenous LTB4 (10 nmol/L) significantly increased BrdU incorporation in MCF-7cells.Conclusion: These results suggest a novel positive feedback loop involving FASN/p-ERK1/2/5-LOX/LTB4/FASN contributes to the sustaining growth of breast cancer LM-MCF-7 cells.

  11. Novel 5-Fluorouracil Derivatives: Synthesis and Cytotoxic Activity of 2-Butoxy-4-Substituted 5-Fluoropyrimidines

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Jian; Zhou, Wei; Hu, Weixiao; Shan, Shang [Zhejiang Univ. of Technology, Hangzhou (China); Zhang, Shijie [Zhejiang Chinese Medical Univ., Hangzhou (China); Li, Haibo [Nantong Center for Disease Control and Prevention, Nantong (China)

    2013-05-15

    Twenty two new 5-fluorouracil (5-FU) derivatives, 2-butoxy-4-substituted 5-fluoropyrimidines, were synthesized and characterized by IR, {sup 1}H NMR, MS, HRMS. All compounds were preliminarily evaluated by MTT assay on human liver BEL-7402 cancer cell line in vitro. Ten compounds were selected to test their cytotoxic activity against A549, HL-60 and MCF-7 cancer cell lines in vitro. These compounds were more sensitive to BEL-7402 than other cell lines, particularly, cytotoxic activity of compounds 6b, 6d-f, 6p, 6s-u were in sub-micromolar scale. The highest cytotoxic potency against A549, HL-60 and MCF-7 was shown by 2-butoxy-4-chloro-5-fluoropyrimidine (5) with IC{sub 50} values of 0.10, 1.66 and 0.59 μM, respectively. Compounds 6d and 6e were effective against MCF-7 with IC{sub 50} 9.73 μM and HL-60 with IC{sub 50} 8.83 μM, respectively.

  12. 一锅法合成5,6-二苯基-4-对甲苯基-3,4-二氢嘧啶-2-酮工艺研究%Study of synthesis technology of 5,6-diphenyl-4-p-tolyl-3,4-dihydropyrimidin-2 (1H)-ketone by one-pot method

    Institute of Scientific and Technical Information of China (English)

    闫杏丽; 陈天云

    2013-01-01

    In the presence of a catalyst,5,6-diphenyl-4-p-tolyl-3,4-dihydropyrimidin-2 (1H)-ketone were synthetized by acetophenone,p-methylbenzaldehyde and carbamide which were used as raw materials.The experimental results showed that when the molar ratio of acetophenone,p-methylbenzaldehyde and carbamide was 1 ∶ 1.15 ∶ 1.1,the reaction temperture was 80 ℃,the reaction time was 2.0 h,and the amount of substance of NaOC2H5 used as the catalyst is 0.001 mol,the product yield could reach 96%.The structure of the product was confirmed by FT-IR and 1HNMR.%文章以二苯乙酮、对甲基苯甲醛和尿素为原料,在催化剂的作用下合成了5,6-二苯基-4-对甲苯基-3,4-二氢嘧啶-2-酮.通过实验确定了反应的较佳工艺参数如下:二苯乙酮、对甲基苯甲醛、尿素的摩尔比为1∶1.15∶1.1,反应温度为80℃,反应时间为2.0h,催化剂选用NaOC2 H5,其用量为0.001 mol,在该工艺条件下,产物的收率达到了96%.采用FT-IR和1HNMR对目标化合物的结构进行了表征.

  13. An Efficient Three Component One-Pot Synthesis of 5-Amino-7-aryl-7,8-dihydro-[1,2,4] triazolo[4,3-a]-pyrimidine-6-carbonitriles

    Directory of Open Access Journals (Sweden)

    Sun Wan-Fu

    2012-02-01

    Full Text Available A series of novel 5-amino-7-aryl-7,8-dihydro-[1,2,4] triazolo[4,3-a]-pyrimidine-6-carbonitriles were synthesized by a one-pot reaction of 3-amino-1,2,4-triazole, malononitrile and aryl aldehydes in the presence of 20 mol% NaOH in ethanol under heating or ultrasonic irradiation. The structures of the target compounds were confirmed by inspection of their 1H- NMR, 13C-NMR, IR and MS spectra. The advantages of this method are short reaction times, good yields, high selectivity and operational simplicity.

  14. Lipschitz equivalence of generalized {1,3,5}-{1,4,5} self-similar sets

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    This paper investigates the Lipschitz equivalence of generalized {1,3,5}-{1,4,5} self-similar sets D = (r1D) ∪ (r2D + (1 + r1 - r2 - r3)/2) ∪ (r3D + 1 - r3) and E = (r1E) ∪ (r2E + 1 - r2 -r3) ∪ (r3E + 1 - r3),and proves that D and E areLipschitz equivalent if and only if there are positive integers m and n such that rm1= rn3.

  15. Ethyl 4-(1,3-benzodioxol-5-yl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Susanta K. Nayak

    2011-11-01

    Full Text Available In the title compound, C15H16N2O4S, the dihedral angles between the planes of the benzodioxole and ester groups and the plane of the six-membered tetrahydropyrimidine ring are 89.5 (1 and 20.2 (1°, respectively. Intermolecular N—H...S hydrogen bonds assemble the molecules into dimers, which are further connected via N—H...O interactions into chains parallel to [010]. Weak C—H...S and C—H...π interactions enhance the stability of the crystal structure.

  16. [L4 crural neuralgia and disc hernia of the L4-L5 intervertebral foramen].

    Science.gov (United States)

    Recoules-Arché, D; Gayet, A

    1986-03-01

    Discal L4 crural neuralgia is conventionally considered secondary to a hernia of the L3-L4 disc. Now, another source of discoradicular conflict exists on the path of the L4 root: hernia of the link canal of the L4-L5 canal through which the root leaves the rachidian canal. Of 27 discal neuralgias operated upon, 9 were linked to a hernia of the L3-L4 disc, while 18 were secondary to a hernia of the L4-L5 foramen, that is 2 foramina hernias for 1 "intrarachidian" hernia. The diagnostic difficulties resulting from foramina hernias probably reflect a rarity that is more apparent than real. The etiology of crural neuralgia is conventionally sought at the L3-L4 disc. This search is often unsuccessful: one speaks of "essential crural neuralgia". The scanner provides the only certain way of revealing foramina hernias, and will probably detect increasing numbers and thus reduce the number of "idiopathic crural neuralgias".

  17. Structural Elucidation of Z- and E- Isomers of 5-Alkyl-4-ethoxycarbonyl-5-(4`-chlorophenyl-3-oxa-4-pentenoic Acids

    Directory of Open Access Journals (Sweden)

    H. M. F. Madkour

    2000-05-01

    Full Text Available Z- and E-isomers of 5-alkyl-4-ethoxycarbonyl-5-(4`-chlorophenyl-3-oxa-4-pentenoic acids were prepared via the condensation of p-chloroacetophenone and/or pchloropropiophenone with diethyl-2,2`-oxydiacetate in the presence of sodium hydride as a basic catalyst. The Z-isomers of 2a and 2b were found to be predominant. The behaviour of the corresponding anhydrides towards the action of hydrazine, phenylhydrazine, primary aromatic amines, hydrocarbons and ethanolysis has also been investigated. The structures and configurations of the products have been elucidated by chemical and spectroscopic means.

  18. SYNTHESIS OF POLY(2,5-DIPHENYL-1,3,4-THIADIAZOLYL)-4,4'-VINYLENE AND ITS ELECTROLUMINESCENT PERFORMANCE

    Institute of Scientific and Technical Information of China (English)

    Shou-gen Yin; Zheng Xu; Yan-bing Hou; Yong-sheng Wang; Xu-rong Xu; Wen-qiang Huang; Fu-qiang Zhang

    1999-01-01

    The synthesis, characterization and electroluminescence performance of a new type of conjugated polymer, poly(2,5-diphenyl-1,3,4-thiadiazolyl)-4,4'-vinylene (TPPV) are presented. A light-emitting diode consisted of ITO/TPPV/Al is driven at about 4.0 V and has a peak emission wavelength of 485 nm. This blue-shift of the peak is due to the decrease of conjugate degree of TPPV compared to PPV. This result is in accord with that determined by XPS and theoretical model of MNDO/3

  19. Cognitive function at 2443 μmol/l creatinine.

    Science.gov (United States)

    Schneider, Sabrina; Malecki, Anne-Kathrin; Boenisch, Olaf; Schönfeld, Robby; Kielstein, Jan T

    2012-08-15

    One hallmark of uremia is the impairment of neuro-cognitive function. Anecdotal clinical description from the early days of chronic dialysis therapy impressively illustrates the improvement of those functions by chronic hemodialysis treatment. Fortunately, today, uremia is only rarely observed in industrialized countries as many patients seek medical/nephrological attention prior to the occurrence of deadly complications of uremia. We report a rare case of severe uremia and describe the day to day improvement in neuro-cognitive function by dialysis using state of the arte test battery--starting at a serum creatinine of 2443 μmol/l. Especially executive functions, which are assumed to be localized in the frontal cerebral regions, are impaired in severe uremia and improve remarkably with the correction of severe uremia, i.e., initiation of dialysis.

  20. Hemoglobina: una molécula modelo para el investigador.

    Directory of Open Access Journals (Sweden)

    Oscar Andrés Peñuela

    2009-11-01

    Full Text Available Se presenta la revisión general sobre la hemoglobina, una de las proteínas más estudiadas y mejor caracterizadas. La gran variedad de aspectos científicos que incluye y la importancia que juega en la biología hace que, aunque los primeros estudios científicos se hayan realizado desde el siglo XIX, aún hoy aparezcan sorprendentes descubrimientos acerca de esta molécula, tales como las nuevas globinas, neuroglobina y citoglobina y las llamativas interacciones con el óxido nítrico. Asimismo, el estudio de las hemoglobinopatías constituye un gran reto para la medicina moderna en la medida en que ponga al servicio de sus pacientes los resultados de la investigación científica básica.

  1. Hemoglobina: una molécula modelo para el investigador

    Directory of Open Access Journals (Sweden)

    Oscar Andrés Peñuela

    2005-09-01

    Full Text Available Se presenta la revisión general sobre la hemoglobina, una de las proteínas más estudiadas y mejor caracterizadas. La gran variedad de aspectos científicos que incluye y la importancia que juega en la biología hace que, aunque los primeros estudios científicos se hayan realizado desde el siglo XIX, aún hoy aparezcan sorprendentes descubrimientos acerca de esta molécula, tales como las nuevas globinas, neuroglobina y citoglobina y las llamativas interacciones con el óxido nítrico. Asimismo, el estudio de las hemoglobinopatías constituye un gran reto para la medicina moderna en la medida en que ponga al servicio de sus pacientes los resultados de la investigación científica básica.

  2. The Ca2+-activated cation channel TRPM4 is regulated by phosphatidylinositol 4,5-biphosphate.

    Science.gov (United States)

    Nilius, Bernd; Mahieu, Frank; Prenen, Jean; Janssens, Annelies; Owsianik, Grzegorz; Vennekens, Rudi; Voets, Thomas

    2006-02-08

    Transient receptor potential (TRP) channel, melastatin subfamily (TRPM)4 is a Ca2+-activated monovalent cation channel that depolarizes the plasma membrane and thereby modulates Ca2+ influx through Ca2+-permeable pathways. A typical feature of TRPM4 is its rapid desensitization to intracellular Ca2+ ([Ca2+]i). Here we show that phosphatidylinositol 4,5-biphosphate (PIP2) counteracts desensitization to [Ca2+]i in inside-out patches and rundown of TRPM4 currents in whole-cell patch-clamp experiments. PIP2 shifted the voltage dependence of TRPM4 activation towards negative potentials and increased the channel's Ca2+ sensitivity 100-fold. Conversely, activation of the phospholipase C (PLC)-coupled M1 muscarinic receptor or pharmacological depletion of cellular PIP2 potently inhibited currents through TRPM4. Neutralization of basic residues in a C-terminal pleckstrin homology (PH) domain accelerated TRPM4 current desensitization and strongly attenuated the effect of PIP2, whereas mutations to the C-terminal TRP box and TRP domain had no effect on the PIP2 sensitivity. Our data demonstrate that PIP2 is a strong positive modulator of TRPM4, and implicate the C-terminal PH domain in PIP2 action. PLC-mediated PIP2 breakdown may constitute a physiologically important brake on TRPM4 activity.

  3. 75 FR 23574 - Airworthiness Directives; CFM International, S.A. CFM56-5B1/P, -5B2/P, -5B3/P, -5B3/P1, -5B4/P...

    Science.gov (United States)

    2010-05-04

    ..., S.A. CFM56-5B1/P, - 5B2/P, -5B3/P, -5B3/P1, -5B4/P, -5B5/P, -5B6/P, -5B7/P, -5B8/P, -5B9/P, -5B1/2P... Docket Operations office between 9 a.m. and 5 p.m., Monday through Friday, except Federal holidays. The... CFM International, S.A. CFM56-5B1/P, - 5B2/P, -5B3/P, -5B3/P1, -5B4/P, -5B5/P,......

  4. Regioselective and Stereoselective Synthesis of the 3-Aryl-4-phosphoryl-1, 2, 4-triazoline-5-ones

    Institute of Scientific and Technical Information of China (English)

    De Xin FENG; Ru Yu CHEN; You HUANG

    2006-01-01

    A novel and efficient route of synthesizing 1, 2, 4-triazoline-5-ones is reported. The title compounds can be prepared in high yield and purity by the one-pot oxidation and cyclization of 1-acylthiosemicarbazides. The reaction is regioselective and stereoselective. The reaction condition is mild.

  5. Serotonin(4) (5-HT(4)) receptor agonists are putative antidepressants with a rapid onset of action

    DEFF Research Database (Denmark)

    Lucas, Guillaume; Rymar, Vladimir V; Du, Jenny

    2007-01-01

    and neurogenesis in the hippocampus. In contrast, a 3 day treatment with the SSRI citalopram remains devoid of any effect on these parameters. Finally, a 3 day regimen with the 5-HT(4) agonist RS 67333 was sufficient to reduce both the hyperlocomotion induced by olfactory bulbectomy and the diminution of sucrose...

  6. French Frigate Shoals Site P4 10/4/2002 5-6M

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — One-meter-square (1 meter x 1 meter) benthic substrate at French Frigate Shoals, site P4 (23.864 N, 166.211 W), between 5 and 6 meters along a permanent transect.

  7. French Frigate Shoals Site P16 10/4/2002 4-5M

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — One-meter-square (1 meter x 1 meter) benthic substrate at French Frigate Shoals, site P16 (23.857 N, 166.271 W), between 4 and 5 meters along a permanent transect.

  8. Concepciones de los profesores acerca del concepto mol

    Directory of Open Access Journals (Sweden)

    Saida Matute

    2015-08-01

    Full Text Available ResumenEste estudio analiza las concepciones del concepto de mol que tienen los docentes que administran la asignatura de química a nivel de bachillerato del municipio Bruzual-Yaracuy (periodo escolar 2012-2013. La muestra está representada por sesenta docentes que respondieron la encuesta. Los resultados indican que la mayoría de ellos tienen buena información en relación con el átomo y masa atómica de un elemento. En lo que se refiere al mol, como se atribuye su significado a la unidad individual de masa, de porción de sustancia y de número de partículas (número de Avogadro, se detecta que no tienen conocimiento de la definición que le dio la Iupac, lo que induce a pensar su desconocimiento acerca de dicha definición. AbstractThis study analyzes the conceptions of the term “mole” according to Chemistry teachers in Secondary school in the municipality of Yaracuy Bruzual (School year 2012-2013. The sample is represented by sixty teachers who responded to the survey. The results indicate that most of them have good information regarding atom and atomic weight of an element. With regard to the term “mol”, it was determined that they lack of knowledge on the definition given by Iupac, since its meaning is related to the individual unit of mass, portion of substance and number of particles (Avogadro’s number.

  9. 2,5-Bis[4-(dimethylaminophenyl]-3,6-dimethylpyrazine

    Directory of Open Access Journals (Sweden)

    Sebastian Moschel

    2011-06-01

    Full Text Available The title compound, C22H26N4, was prepared from p-dimethylaminopropiophenone in six steps. The molecule has no crystallographic symmetry. The dihedral angles between the pyrazine ring and the phenyl rings are 35.81 (6 and 37.11 (8°. The dimethylamino groups are essentially planar (sum of the bond angles at N = 359.3 and 359.9° and nearly coplanar with the adjacent aromatic ring [dihedral angles = 5.54 (11 and 7.40 (3°]. This effect and the short aniline C—N bonds can be rationalised in terms of charge transfer from the amino groups to the central pyrazine ring.

  10. Beginning ASP.NET 4.5 in C#

    CERN Document Server

    MacDonald, Matthew

    2012-01-01

    This book is the most comprehensive and up to date introduction to ASP.NET ever written. Focussing solely on C#, with no code samples duplicated in other languages, award winning author Matthew MacDonald introduces you to the very latest thinking and best practices for the ASP.NET 4.5 technology.Assuming no prior coding experience, you'll be taught everything you need to know from the ground up.  Starting from first principals, you'll learn the skills you need to be an effective ASP.NET developer who is ready to progress to more sophisticated projects and professional work. You'll be taught ho

  11. Beginning ASP.NET 4.5 in VB

    CERN Document Server

    MacDonald, Matthew

    2012-01-01

    This book is the most comprehensive and up to date introduction to ASP.NET ever written. Focusing solely on Visual Basic, with no code samples duplicated in other languages, award winning author Matthew MacDonald introduces you to the very latest thinking and best practices for the ASP.NET 4.5 technology.Assuming no prior coding experience, you'll be taught everything you need to know from the ground up.  Starting from first principals, you'll learn the skills you need to be an effective ASP.NET developer who is ready to progress to more sophisticated projects and professional work.You'll be t

  12. RLPORINC: the RELAP4/MOD5 interface to ORINC

    Energy Technology Data Exchange (ETDEWEB)

    Cliff, S.B.

    1978-01-10

    The Oak Ridge Inverse code, ORINC, calculates the temperature distribution in an electric core pin from internal temperatures and the conditions in the surrounding environment. While the internal temperatures can be obtained from thermocouples in the Thermal Hydraulic Test Facility, the needed environmental conditions cannot be determined as directly from experimental data. However, this information can be determined from a modified version of the Reactor Linearized Analysis Program, RELAP. In particular, the IBM form of RELAP/MOD5 UPDATE2, as released by the Idaho National Engineering Laboratory, was modified to save the proper information in a convenient format. This document describes this RELAP-to-ORINC interface version of RELAP4 which has been named RLPORINC.

  13. Synthesis of (E-2,4-Dinitro-N-((2E,4E-4-phenyl-5-(pyrrolidin-1-ylpenta-2,4-dienylideneaniline

    Directory of Open Access Journals (Sweden)

    Mostafa Fesanghari

    2009-07-01

    Full Text Available (E-2,4-Dinitro-N-((2E,4E-4-phenyl-5-(pyrrolidin-1-ylpenta-2,4-dienylidene aniline dye was prepared in one pot by reaction of premade N-2,4-dinitrophenyl-3-phenylpyridinium chloride (DNPPC and pyrrolidine in absolute MeOH.

  14. Implementing and Evaluating Variable Soil Thickness in the Community Land Model, Version 4.5 (CLM4.5)

    Energy Technology Data Exchange (ETDEWEB)

    Brunke, Michael A.; Broxton, Patrick; Pelletier, Jon; Gochis, David; Hazenberg, Pieter; Lawrence, David M.; Leung, L. Ruby; Niu, Guo-Yue; Troch, Peter A.; Zeng, Xubin

    2016-05-01

    One of the recognized weaknesses of land surface models as used in weather and climate models is the assumption of constant soil thickness due to the lack of global estimates of bedrock depth. Using a 30 arcsecond global dataset for the thickness of relatively porous, unconsolidated sediments over bedrock, spatial variation in soil thickness is included here in version 4.5 of the Community Land Model (CLM4.5). The number of soil layers for each grid cell is determined from the average soil depth for each 0.9° latitude x 1.25° longitude grid cell. Including variable soil thickness affects the simulations most in regions with shallow bedrock corresponding predominantly to areas of mountainous terrain. The greatest changes are to baseflow, with the annual minimum generally occurring earlier, while smaller changes are seen in surface fluxes like latent heat flux and surface runoff in which only the annual cycle amplitude is increased. These changes are tied to soil moisture changes which are most substantial in locations with shallow bedrock. Total water storage (TWS) anomalies do not change much over most river basins around the globe, since most basins contain mostly deep soils. However, it was found that TWS anomalies substantially differ for a river basin with more mountainous terrain. Additionally, the annual cycle in soil temperature are affected by including realistic soil thicknesses due to changes to heat capacity and thermal conductivity.

  15. 3-Ethyl-4-[(E-(4-fluorobenzylideneamino]-1H-1,2,4-triazole-5(4H-thione

    Directory of Open Access Journals (Sweden)

    Alphonsus D'souza

    2012-05-01

    Full Text Available In the title compound, C11H11FN4S, the dihedral angle between the 1,2,4-triazole ring and the benzene ring is 25.04 (12° and an intramoleuclar C—H...S interaction leads to an S(6 ring. In the crystal, inversion dimers linked by pairs of N—H...S hydrogen bonds generate R22(8 loops.

  16. Shareholding Cascades : The Separation of Ownership and Control in Belgium

    NARCIS (Netherlands)

    Becht, M.C.; Chapelle, A.; Renneboog, L.D.R.

    1999-01-01

    This paper analyses the control of Belgian listed companies. The analysis reveals that control of listed companies in Belgium is highly concentrated. Business groups, holding companies, and voting pacts, play an important role in bringing about this concentration. The main characteristics of the Bel

  17. Energy policies of IEA countries: Belgium 2005 review

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-07-01

    Belgium continues to make measured progress in its energy policy, particularly with respect to electricity market liberalisation. The country has improved the independent functioning of the electricity market. An electricity exchange will begin operation shortly. However, to enable Belgian customers to fully benefit from energy market liberalisation, more work needs to be done. In 2003, Belgium decided to phase out nuclear power between 2015 and 2025. As nuclear energy supplies about 55% of the country's electricity, this will be a significant challenge. The federal government should conduct more comprehensive long-term studies on the nuclear energy phase-out and its effects on energy security, environmental protection and economic growth. Belgium's natural gas and electricity markets are highly concentrated. Companies owned by the international power group Suez SA dominate at all levels. Belgium has made some efforts to unbundle these industries and reduce their market dominance, but much more must be done to encourage new entry, increase competition and bring real economic benefits to Belgian customers. 50 refs., 40 tabs., 3 annexes.

  18. OECD Reviews of School Resources: Flemish Community of Belgium

    Science.gov (United States)

    Nusche, Deborah; Miron, Gary; Santiago, Paulo; Teese, Richard

    2015-01-01

    This report for the Flemish Community of Belgium forms part of the Organisation for Economic Cooperation and Development (OECD) Review of Policies to Improve the Effectiveness of Resource Use in Schools and explores how resources can be governed, distributed, utilised and managed to improve the quality, equity and efficiency of school education.…

  19. Space Weather data and services at SIDC / RWC Belgium

    Science.gov (United States)

    van der Linden, Ronald; Ben Moussa, Ali; Berghmans, David; Boulvin, Olivier; Boyes, David; Cabanas Parada, Carlos; Callebaut, Benoit; Clette, Frédéric; Dammasch, Ingolf; Delouille, Veronique; D'Huys, Elke; Dolla, Laurent; Dominique, Marie; Dufond, Jean-Luc; Ergen, Aydin; Giordanengo, Boris; Gissot, Samuel; Goryaev, Farid; Hochedez, Jean-Francois; Lemaâtre, Olivier; Lisnichenko, Pavel; Magdalenic, Jas-Mina; Mampaey, Benjamin; Marque, Christophe; Nicula, Bogdan; Podladchikova, Elena; Pylyser, Erik; Raynal, Sophie; Rodriguez, Luciano; Seaton, Daniël; van der Linden, Ronald; Vandersyppe, Anne; Vanlommel, Petra; Vanraes, Stéphane; Verbeeck, Cis; Verdini, Andrea; Wauters, Laurence; West, Matthew; Willems, Sarah; Zhukov, Andrei

    The SIDC of the Royal Observatory of Belgium is a very active center for solar physics research, but also provides an operational service for data and services related to solar activity and space weather. In this poster we present the currently available data sets and products, with a focus on recent additions and new developments.

  20. Supplemental health insurance and equality of access in Belgium

    NARCIS (Netherlands)

    E. Schokkaert (Schokkaert); T.G.M. van Ourti (Tom); D. de Graeve (Diana); A. Lecluyse (Ann); C. van de Voorde (Carine)

    2010-01-01

    textabstractThe effects of supplemental health insurance on health-care consumption crucially depend on specific institutional features of the health-care system. We analyse the situation in Belgium, a country with a very broad coverage in compulsory social health insurance and where supplemental