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Sample records for 2h 3h 4h

  1. Heats of formation and thermodynamic functions for C2H, C3H, and C4H from 300 K to 6000 K

    NASA Technical Reports Server (NTRS)

    Saturno, A. F.

    1982-01-01

    A review of the energy level and heat of formation data for the species C2H, C3H, and C4H is given. The procedure for computing thermochemical data from partition function is also reviewed. Working expressions for approximate partition functions, free-energy function, enthalpy function, and heat capacity for a linear polyatomic species are presented.

  2. Low temperature rate coefficients for reactions of the butadiynyl radical, C4H, with various hydrocarbons. Part I: reactions with alkanes (CH4, C2H6, C3H8, C4H10).

    PubMed

    Berteloite, Coralie; Le Picard, Sébastien D; Balucani, Nadia; Canosa, André; Sims, Ian R

    2010-04-21

    The kinetics of the reactions of the linear butadiynyl radical, C4H (CCCCH), with methane, ethane, propane and butane have been studied over the temperature range of 39-300 K using a CRESU (Cinétique de Réaction en Ecoulement Supersonique Uniforme or Reaction Kinetics in Uniform Supersonic Flow) apparatus combined with the pulsed laser photolysis-laser induced fluorescence technique. The rate coefficients, except for the reaction with methane, show a negative temperature dependence and can be fitted with the following expressions over the temperature range of this study: k(C2H6) = 0.289 x 10(-10) (T/298 K)(-1.23) exp(-24.8 K/T) cm3 molecule(-1) s(-1); k(C3H8) = 1.06 x 10(-10) (T/298 K)(-1.36) exp(-56.9 K/T) cm3 molecule(-1) s(-1); k(C4H10) = 2.93 x 10(-10) (T/298 K)(-1.30) exp(-90.1 K/T) cm3 molecule(-1) s(-1). The rate coefficients for the reaction with methane were measured only at 200 K and 300 K yielding a positive temperature dependence: k(CH4) = 1.63 x 10(-11) exp(-610 K/T) cm3 molecule(-1) s(-1). Possible reaction mechanisms and product channels are discussed in detail for each of these reactions. Potential implications of these results for models of low temperature chemical environments, in particular cold interstellar clouds and planetary atmospheres such as that of Titan, are considered.

  3. X-ray absorption spectroscopy comparison of the active site structures of Phanerochaete chrysosporium lignin peroxidase isoenzymes H2, H3, H4, H5, H8, and H10.

    PubMed

    Sinclair, R; Copeland, B; Yamazaki, I; Powers, L

    1995-10-10

    The iron heme and its immediate environment can provide information that is pivotal to our understanding of the structural and mechanistic features that confer unusual properties to the heme peroxidases. X-ray absorption spectroscopy (XAS), which is ideally suited for the investigation of the local environment and electronic structure of the heme iron of hemeproteins, has been used to characterize a variety of lignin peroxidase and manganese-dependent peroxidase isoenzymes produced by the white rot fungus Phanerochaete chrysosporium. The data suggest no differences within the error in the first coordination shell of iron for the isoenzymes H2, H3, H4, H5, H8, and H10 examined in this study. The pyrrole nitrogens are at a distance of 2.05 +/- 0.015 A, and the proximal histidine nitrogens are at 1.93 +/- 0.02 A, while the sixth ligands are located at 2.17 +/- 0.03 A. Significant differences are observed in higher coordination shells which may be related to conformational differences in the heme.

  4. Electrosynthesis of Rh2(dpf)4(R) where dpf = N,N'-diphenylformamidinate anion and R = CH3, C2H5, C3H7, C4H9 or C5H11.

    PubMed

    Bear, J L; Van Caemelbecke, E; Ngubane, S; Da-Riz, V; Kadish, K M

    2011-03-21

    The electrosynthesis of Rh(2)(dpf)(4)(R) where dpf is the N,N'-diphenylformamidinate anion and R = CH(3), C(2)H(5), C(3)H(7), C(4)H(9) or C(5)H(11) was carried out in THF containing 0.2 M tetra-n-butylammonium perchlorate (TBAP) and one of several alkyl iodides represented as RI. The initial step in the reaction involved a one-electron reduction of the Rh(2)(4+) unit in Rh(2)(dpf)(4) to its Rh(2)(3+) form followed by a homogeneous reaction involving electrogenerated [Rh(2)(dpf)(4)](-) and the alkyl iodide in solution to give Rh(2)(dpf)(4)(R). The homogeneously generated Rh(2)(5+) product was then immediately reduced by a second electron at the potential where [Rh(2)(dpf)(4)(R)](-) is generated, giving [Rh(2)(dpf)(4)(R)](-) which contains a Rh(2)(4+) center as a final product of an electrochemical ECE mechanism. The electrosynthesized [Rh(2)(dpf)(4)(CH(3))](-) derivative could be reoxidized to Rh(2)(dpf)(4)(CH(3)) on the reverse potential sweep and both forms of the CH(3) bonded derivative were in situ characterized by cyclic voltammetry combined with UV-visible and/or ESR spectroscopy. The reversible Rh(2)(4+/3+) process of Rh(2)(dpf)(4) is located at E(1/2) = -1.11 V in THF, 0.2 M TBAP while the electrogenerated Rh(2)(dpf)(4)(R) products are substantially easier to reduce, with E(p) values for the Rh(2)(5+/4+) couples ranging from -0.50 to -0.54 V vs. SCE depending upon the specific R group.

  5. Theoretical microwave spectral constants for C3H/+/ and C4H/+/

    NASA Technical Reports Server (NTRS)

    Wilson, S.; Green, S.

    1980-01-01

    A number of linear conjugated carbon chain molecules have been observed in the interstellar gas. It has been suggested that ion molecule chemistry schemes may explain the formation of these compounds. In the present paper, theoretical bond lengths and rotation constants are obtained for C3H(+) and C4H(+). Calculations for C3 are used to assess the accuracy of the former. Recent results for C2H(+) are examined.

  6. Theoretical study of isoelectronic molecules: B6H10, 2-CB5H9, 2,3-C2B4H8, 2,3,4-C3B3H7, and 2,3,4,5-C4B2H6.

    PubMed

    Tian, Shan Xi

    2005-07-28

    Isoelectronic molecules regarding B6H10, 2-CB5H9, 2,3-C2B4H8, 2,3,4-C3B3H7, and 2,3,4,5-C4B2H6 are studied by the density functional B3LYP/6-311G(d,p) method and the electron propagator theory in the partial third-order quasiparticale approximation, as well as the extrapolated calculation with the coupled-cluster CCSD(T) theory. The calculated ionization potentials are in good agreement with the experimental data from photoelectron spectroscopy. Valence structures are characterized with natural orbital bond (NBO) theory, exhibiting the multiple three-center two-electron bonds B-H-B, B-B-B, C-B-B, B-C-B, and C-B-C, and chemical bond rearrangements in the cations. PMID:16834005

  7. Synthesis, structural elucidation and spectroscopic analysis of 3a,8b-dihydroxy-4-oxo-1H,2H,3H,3aH,4H,8bH-indeno[1,2-d]imidazolidin-2-iminium chloride

    NASA Astrophysics Data System (ADS)

    Uma Devi, T.; Priya, S.; Selvanayagam, S.; Ravikumar, K.; Anitha, K.

    2012-11-01

    Ninhydrin guanidinium chloride (3a,8b-dihydroxy-4-oxo-1H,2H,3H,3aH,4H,8bH-indeno [1,2-d]imidazolidin-2-iminium chloride) a semiorganic crystal was synthesized. The structure was determined using X-ray single crystal technique. Comparisons between the FT-IR spectrum of ninhydrin guanidinium chloride with ninhydrin were made. Melting point was found using thermal measurements. The molecular geometry, vibrational frequencies and Mulliken charges of the compound in the ground state have been calculated by the density functional theory (DFT) method with 3-21G(d,p) basis set and theoretical frequencies were compared with the experimental FT-IR spectrum. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis, natural bond orbitals (NBO) and thermodynamic properties at various temperatures of the compound were investigated by theoretical calculations.

  8. One dimensional 1H, 2H and 3H

    NASA Astrophysics Data System (ADS)

    Vidal, A. J.; Astrakharchik, G. E.; Vranješ Markić, L.; Boronat, J.

    2016-05-01

    The ground-state properties of one-dimensional electron-spin-polarized hydrogen 1H, deuterium 2H, and tritium 3H are obtained by means of quantum Monte Carlo methods. The equations of state of the three isotopes are calculated for a wide range of linear densities. The pair correlation function and the static structure factor are obtained and interpreted within the framework of the Luttinger liquid theory. We report the density dependence of the Luttinger parameter and use it to identify different physical regimes: Bogoliubov Bose gas, super-Tonks-Girardeau gas, and quasi-crystal regimes for bosons; repulsive, attractive Fermi gas, and quasi-crystal regimes for fermions. We find that the tritium isotope is the one with the richest behavior. Our results show unambiguously the relevant role of the isotope mass in the properties of this quantum system.

  9. Infrared Predissociation Spectroscopy of the Hydrocarbon Cations C_3H^+, C_2H^+, and C_3H_2^+

    NASA Astrophysics Data System (ADS)

    Brünken, Sandra; Lipparini, Filippo; Gauss, Jürgen; Stoffels, Alexander; Redlich, Britta; van der Meer, Lex; Berden, Giel; Oomens, Jos; Schlemmer, Stephan

    2016-06-01

    Reactive hydrocarbon cations play an important role in the astrochemistry of the interstellar medium, but spectroscopic data, needed for their identification in astronomical observations, is sparse. Here we report the first gas-phase vibrational spectra of the linear C_3H^+ (^1 Σ), the radical cation C_2H^+ (^3 Π), and the linear-/cyclic-C_3H_2^+ (^2 Π /^2A_1, resp.). Broadband spectra were recorded by Ne- and He-messenger infrared-predissociation (IR-PD) action spectroscopy in a cryogenic (4-11 K) ion trap instrument (FELion) in the 250-3500 {wn} range using a free electron laser and a MIR-OPO at the FELIX (Free-Electron Laser for Infrared eXperiments) laboratory. The band positions (determined with a precision of 1-2 wn) covering the C-H and C-C stretching as well as several bending modes are compared to high-level (CCSD(T) with large basis sets) quantum-chemical calculations with an emphasis on anharmonic effects and on the influence of the rare-gas messenger atom. The experimental and theoretical data provide a solid basis for subsequent IR high-resolution studies, with the ultimate goal to predict and measure accurate rotational spectra for a radio-astronomical search of these molecular ions in space.

  10. Synthesis and antifungal activity of 2H-1,4-benzoxazin-3(4H)-one derivatives.

    PubMed

    Śmist, Małgorzata; Kwiecień, Halina; Krawczyk, Maria

    2016-01-01

    A series of 2-alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-l) was easily synthesized by two-step process involving O-alkylation of 2-nitrophenols with methyl 2-bromoalkanoates and next "green" catalytic reductive cyclization of the obtained 2-nitro ester intermediates (3a-l). Further, 6,7-dibromo (5a-c) and N-acetyl (6) derivatives were prepared by bromination and acetylation of unsubstituted 2-alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-c). The novel compounds (3a-l, 4d-l, 5a-c and 6) were fully characterized by spectroscopic methods (MS, (1)H and (13)C NMR). 2-Alkyl-2H-1,4-benzoxazin-3(4H)-ones (4a-l, 5a-c and 6) were screened for antifungal activity. Preliminary assays were performed using two methods: in vitro against seven phytopathogenic fungi-Botrytis cinerea, Phythophtora cactorum, Rhizoctonia solani, Phoma betae, Fusarium culmorum, Fusarium oxysporum and Alternaria alternata-and in vivo against barley powdery mildew Blumeria graminis. The tested compounds displayed moderate to good antifungal activity at high concentration (200 mg L(-1)). The most potent compounds were 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a), 2-ethyl-7-fluoro-2H-1,4-benzoxazin-3(4H)-one (4g) and 4-acetyl-2-ethyl-2H-1,4-benzoxazin-3(4H)-one (6), which completely inhibited the mycelial growth of seven agricultural fungi at the concentration of 200 mg L(-1) in the in vitro tests. Moreover, 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a) and 4-acetyl-2-ethyl-2H-1,4-benzoxazin-3(4H)-one (6) were also screened for antifungal activity at concentrations of 100 mg L(-1) and 20 mg L(-1). In the concentration of 100 mg L(-1), the N-acetyl derivative (6) completely inhibited the growth of three strains of fungi (F. culmorum, P. cactorum and R. solani), while 2-ethyl-2H-1,4-benzoxazin-3(4H)-one (4a) completely inhibited only R. solani strain. At the concentration of 20 mg L(-1), compound 6 showed good activity only against P. cactorum strain (72%). PMID:26963527

  11. Characterization Results for the 2014 HTF 3H & 2H Evaporator Overhead Samples

    SciTech Connect

    Washington, A.

    2015-05-11

    This report tabulates the radiochemical analysis of the 3H and 2H evaporator overhead samples for 137Cs, 90Sr, and 129I to meet the requirements in the Effluent Treatment Project (ETP) Waste Acceptance Criteria (WAC) (rev. 6). This report identifies the sample receipt date, preparation method, and analysis performed in the accumulation of the listed values. All data was found to be within the ETP WAC (rev. 6) specification for the Waste Water Collection Tanks (WWCT).

  12. Frequency Comb Assisted IR Measurements of H_3^+, H_2D^+ and D_2H^+ Transitions

    NASA Astrophysics Data System (ADS)

    Jusko, Pavol; Asvany, Oskar; Schlemmer, Stephan

    2016-06-01

    We present recent measurements of the fundamental transitions of H_3^+, H_2D^+ and D_2H^+ in a 4 K 22-pole trap by action spectroscopic techniques. Either Laser Induced Inhibition of Cluster Growth (He attachment at T≈4 K), endothermic reaction of H_3^+ with O_2, or deuterium exchange has been used as measurement scheme. We used a 3 μm optical parametric oscillator coupled to a frequency comb in order to achieve accuracy generally below 1 MHz. Five transitions of H_3^+, eleven of H_2D^+ and ten of D_2H^+ were recorder in our spectral range. We compare our H_3^+ results with two previous frequency comb assisted works. Moreover, accurate determination of the frequency allows us to predict pure rotational transitions for H_2D^+ and D_2H^+ in the THz range. P. Jusko, C. Konietzko, S. Schlemmer, O. Asvany, J. Mol. Spec. 319 (2016) 55 O. Asvany, S. Brünken, L. Kluge, S. Schlemmer, Appl. Phys. B 114 (2014) 203 O. Asvany, J. Krieg, S. Schlemmer, Rev. Sci. Instr. 83 (2012) 093110 J.N. Hodges, A.J. Perry, P.A. Jenkins, B.M. Siller, B.J. McCall, J. Chem. Phys. 139 (2013) 164201 H.-C. Chen, C.-Y. Hsiao, J.-L. Peng, T. Amano, J.-T. Shy, Phys. Rev. Lett. 109 (2012) 263002

  13. Cometary implications of recent laboratory experiments on the photochemistry of the C2H and C3H2 radicals

    NASA Technical Reports Server (NTRS)

    Jackson, William M.; Bao, Yihan; Urdahl, Randall S.; Song, Xueyu; Gosine, Jai; Lu, Chi

    1992-01-01

    Recent laboratory results on the photodissociation of the C2H and C3H2 radicals are described. These studies show that the C2 and C3 radicals are produced by the 193 nm photolysis of the C2H and C3H2 radicals, respectively. The quantum state distributions that were determined for the C2 radicals put certain constraints on the initial conditions for any models of the observed C2 cometary spectra. Experimental observations of C2 formed by the 212.8 nm photolysis of C2H are used to calculate a range of photochemical lifetimes for the C2H radical.

  14. Seasonal variations of C4H2, C2N2 and C3H4 in Titan's lower stratosphere

    NASA Astrophysics Data System (ADS)

    Sylvestre, Melody; Teanby, Nicholas; Irwin, Patrick

    2016-06-01

    Due to its obliquity (26.7°), Titan's atmosphere undergoes significant seasonal variations of insolation, which are expected to affect significantly its photochemistry and large-scale dynamics. The duration of the Cassini mission enables us to monitor these changes and to better understand the atmospheric processes at play. Here, we study the seasonal evolution of the composition of Titan's lower stratosphere (10 mbar). We analyse nadir high resolution (0.5 cm‑1) spectra from Cassini/CIRS (Composite InfraRed Spectrometer) in the far infrared (200-400 cm‑1), in order to retrieve the abundances of three photochemical species: C2N2 (cyanogen), C4H2 (diacetylene), and C3H4 (methylacetylene). These data span all the latitudes and were acquired from 2004 to 2015. Consequently, they provide a good overview of the seasonal evolution of the meridional distributions of C2N2, C4H2, and C3H4, from northern winter to spring. For instance, these measurements show a strong enrichment in these three species at the South pole in the lower stratosphere, consistent with previous observations (Coustenis et al., 2016; Vinatier et al., 2015 ; Teanby et al., 2012). In contrast, other latitudes present much less variations in the mixing ratios of these gases, especially at the North Pole. These measurements will be used to provide constraints on the photochemistry and atmospheric dynamics in Titan's lower stratosphere.

  15. Direct N2H4/H2O2 Fuel Cells Powered by Nanoporous Gold Leaves

    PubMed Central

    Yan, Xiuling; Meng, Fanhui; Xie, Yun; Liu, Jianguo; Ding, Yi

    2012-01-01

    Dealloyed nanoporous gold leaves (NPGLs) are found to exhibit high electrocatalytic properties toward both hydrazine (N2H4) oxidation and hydrogen peroxide (H2O2) reduction. This observation allows the implementation of a direct hydrazine-hydrogen peroxide fuel cell (DHHPFC) based on these novel porous membrane catalysts. The effects of fuel and oxidizer flow rate, concentration and cell temperature on the performance of DHHPFC are systematically investigated. With a loading of ~0.1 mg cm−2 Au on each side, an open circuit voltage (OCV) of 1.2 V is obtained at 80°C with a maximum power density 195 mW cm−2, which is 22 times higher than that of commercial Pt/C electrocatalyst at the same noble metal loading. NPGLs thus hold great potential as effective and stable electrocatalysts for DHHPFCs. PMID:23230507

  16. Infrared band extinctions and complex refractive indices of crystalline C2H2 and C4H2

    NASA Technical Reports Server (NTRS)

    Khanna, R. K.; Ospina, Mario J.; Zhao, Guizhi

    1988-01-01

    Thermal IR absorption intensities are obtained for thin films of crystalline C2H2 and C4H2 at 70 K, and their n and k complex refractive indices are ascertained by separating true film absorption from interface reflection on the basis of an analysis of the transmission spectrum ratio for two sample thicknesses. This method significantly simplifies the n and k iteration process. The n and k values determined in the laboratory will in most cases reproduce a given sample thickness' observed transmission to within + or - 5 percent.

  17. Calorimetric and computational study of 2H-1, 4-benzoxazin-3(4H)-one and of related species

    NASA Astrophysics Data System (ADS)

    Agostinha, M.; Matos, R.; Miranda, Margarida S.; Morais, Victor M. F.; Liebman, Joel F.

    The standard molar enthalpy of formation in the gas phase of 2H-1,4-benzoxazin-3(4H)-one was derived from the standard energy of combustion determined by static bomb combustion calorimetry in oxygen atmosphere and from the standard sublimation enthalpy determined by Calvet microcalorimetry. In addition, we report the results of a systematic theoretical study of the keto and enol tautomers in benzoxazinones and diones using density functional theory. The keto tautomers are computed to be more stable than the enols. Tautomerization energies are reported.

  18. Theoretical study of radiative electron attachment to CN, C{sub 2}H, and C{sub 4}H radicals

    SciTech Connect

    Douguet, Nicolas; Fonseca dos Santos, S.; Orel, Ann E.; Raoult, Maurice; Dulieu, Olivier

    2015-06-21

    A first-principle theoretical approach to study the process of radiative electron attachment is developed and applied to the negative molecular ions CN{sup −}, C{sub 4}H{sup −}, and C{sub 2}H{sup −}. Among these anions, the first two have already been observed in the interstellar space. Cross sections and rate coefficients for formation of these ions by direct radiative electron attachment to the corresponding neutral radicals are calculated. For the CN molecule, we also considered the indirect pathway, in which the electron is initially captured through non-Born-Oppenheimer coupling into a vibrationally resonant excited state of the anion, which then stabilizes by radiative decay. We have shown that the contribution of the indirect pathway to the formation of CN{sup −} is negligible in comparison to the direct mechanism. The obtained rate coefficients for the direct mechanism at 30 K are 7 × 10{sup −16} cm{sup 3}/s for CN{sup −}, 7 × 10{sup −17} cm{sup 3}/s for C{sub 2}H{sup −}, and 2 × 10{sup −16} cm{sup 3}/s for C{sub 4}H{sup −}. These rates weakly depend on temperature between 10 K and 100 K. The validity of our calculations is verified by comparing the present theoretical results with data from recent photodetachment experiments.

  19. Ab initio study of {sup 2}H(d,{gamma}){sup 4}He, {sup 2}H(d,p){sup 3}H, and {sup 2}H(d,n){sup 4}He reactions and the tensor force

    SciTech Connect

    Arai, K.; Aoyama, S.; Suzuki, Y.; Descouvemont, P.; Baye, D.

    2012-11-12

    The {sup 2}H(d,p){sup 3}H, {sup 2}H(d,n){sup 3}He, and {sup 2}H(d,{gamma}){sup 4}He reactions at low energies are studied with realistic nucleon-nucleon interactions in an ab initio approach. The obtained astrophysical S-factors are all in very good agreement with experiment. The most important channels for both transfer and radiative capture are all found to dominate thanks to the tensor force.

  20. Photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 in the VUV region

    NASA Technical Reports Server (NTRS)

    Xia, T. J.; Chien, T. S.; Wu, C. Y. Robert; Judge, D. L.

    1991-01-01

    Using synchrotron radiation as a continuum light source, the photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 have been measured from their respective ionization thresholds to 1060 A. The vibrational constants associated with the nu(2) totally symmetric, out-of-plane bending vibration of the ground electronic state of PH3(+) have been obtained. The cross sections and quantum yields for producing neutral products through photoexcitation of these molecules in the given spectral regions have also been determined. In the present work, autoionization processes were found to be less important than dissociation and predissociation processes in NH3, PH3, and C2H4. Several experimental techniques have been employed in order to examine the various possible systematic errors critically.

  1. {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions at sub-coulomb energies

    SciTech Connect

    Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Sparta, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.

    2012-11-20

    The {sup 2}H({sup 3}He,p{sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n{sup 3}He){sup 1}H processes have been measured in quasi free kinematics to investigate for the first time the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions by means of the Trojan Horse Method. The {sup 3}He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4{+-}1.8 MeVb for {sup 3}H+p and 60.1{+-}1.9 MeVb for {sup 3}He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

  2. A Diels–Alder super diene breaking benzene into C2H2 and C4H4 units

    PubMed Central

    Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira

    2014-01-01

    Cyclic polyene with six carbon atoms (benzene) is very stable, whereas cyclic polyene with four carbon atoms (cyclobutadiene) is extremely unstable. The electron-withdrawing pentafluorophenyl group of a substituted cyclobutadiene lowers the energy of the lowest unoccupied molecular orbital, greatly increasing its reactivity as a diene in Diels–Alder reactions with acetylene, ethylene and even benzene. Here we show that the reaction with benzene occurs cleanly at the relatively low temperature of 120 °C and results in the formal fragmentation of benzene into C2H2 and C4H4 units, via a unique Diels–Alder/retro-Diels–Alder reaction. This is a new example of the rare case where breaking the C–C bond of benzene is possible with no activation by a transition metal. PMID:24398593

  3. New determination of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reaction rates at astrophysical energies

    SciTech Connect

    Tumino, A.; Spartà, R.; Spitaleri, C.; Pizzone, R. G.; La Cognata, M.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Mukhamedzhanov, A. M.; Typel, S.; Tognelli, E.; Degl'Innocenti, S.; Prada Moroni, P. G.; Burjan, V.; Kroha, V.; Hons, Z.; Mrazek, J.; Piskor, S.; Lamia, L.

    2014-04-20

    The cross sections of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions have been measured via the Trojan Horse method applied to the quasi-free {sup 2}H({sup 3}He,p {sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n {sup 3}He){sup 1}H processes at 18 MeV off the proton in {sup 3}He. For the first time, the bare nucleus S(E) factors have been determined from 1.5 MeV, across the relevant region for standard Big Bang nucleosynthesis, down to the thermal energies of deuterium burning in the pre-main-sequence (PMS) phase of stellar evolution, as well as of future fusion reactors. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from the available direct data and existing fitting curves, with substantial variations in the electron screening by more than 50%. As a consequence, the reaction rates for astrophysics experience relevant changes, with a maximum increase of up to 20% at the temperatures of the PMS phase. From a recent primordial abundance sensitivity study, it turns out that the {sup 2}H(d,n){sup 3}He reaction is quite influential on {sup 7}Li, and the present change in the reaction rate leads to a decrease in its abundance by up to 10%. The present reaction rates have also been included in an updated version of the FRANEC evolutionary code to analyze their influence on the central deuterium abundance in PMS stars with different masses. The largest variation of about 10%-15% pertains to young stars (≤1 Myr) with masses ≥1 M {sub ☉}.

  4. The Organocatalytic Approach to Enantiopure 2H- and 3H-Pyrroles: Inhibitors of the Hedgehog Signaling Pathway.

    PubMed

    Kötzner, Lisa; Leutzsch, Markus; Sievers, Sonja; Patil, Sumersing; Waldmann, Herbert; Zheng, Yiying; Thiel, Walter; List, Benjamin

    2016-06-27

    A divergent approach to enantioenriched 2H- and 3H-pyrroles catalyzed by a spirocyclic phosphoric acid is reported that makes use of a Fischer-type indolization and a [1,5]-alkyl shift. Catalyzed by the chiral phosphoric acid STRIP, good to excellent yields and enantioselectivities could be obtained. Remarkably, biological evaluation reveals one of these novel 2H-pyrroles to be a potent but nontoxic inhibitor of the Hedgehog signaling pathway by binding to the Smoothened protein. PMID:27239757

  5. Measurement of the 2H(d ,p ) 3H reaction at astrophysical energies via the Trojan-horse method

    NASA Astrophysics Data System (ADS)

    Li, Chengbo; Wen, Qungang; Fu, Yuanyong; Zhou, Jing; Zhou, Shuhua; Meng, Qiuying; Spitaleri, C.; Tumino, A.; Pizzone, R. G.; Lamia, L.

    2015-08-01

    The study of the 2H(d ,p ) 3H reaction is very important for the nucleosynthesis in both the standard Big Bang and stellar evolution, as well as for the future fusion reactor's planning of energy production. The 2H(d ,p ) 3H bare nucleus astrophysical S (E ) factor has been measured indirectly at energies from about 400 keV down to several keV by means of the Trojan-horse method applied to the quasifree process 2H(6Li ,p t ) 4He induced at a lithium beam energy of 9.5 MeV, which is closer to the zero-quasifree-energy point. An accurate analysis leads to the determination of the Sbare(0 ) =56.7 ±2.0 keV b and of the corresponding electron screening potential Ue=13.2 ±4.3 eV. In addition, this work gives an updated test for the Trojan-horse nucleus invariance by comparing with previous indirect investigations using the 3He=(d +p ) breakup.

  6. Synthesis of 2H-Azirines by Iridium-Catalyzed Decarboxylative Ring Contraction of Isoxazol-5(4H)-ones.

    PubMed

    Okamoto, Kazuhiro; Shimbayashi, Takuya; Yoshida, Masato; Nanya, Atsushi; Ohe, Kouichi

    2016-06-13

    A phosphine-free iridium-catalyzed reaction of isoxazol-5(4H)-ones (isoxazolones) has been developed, and affords 2H-azirines through decarboxylation and ring contraction. This method provides an efficient and environmentally benign protocol which could replace the conventional approaches used to synthesize 2H-azirines. PMID:27125870

  7. Synthesis of 2H-Azirines by Iridium-Catalyzed Decarboxylative Ring Contraction of Isoxazol-5(4H)-ones.

    PubMed

    Okamoto, Kazuhiro; Shimbayashi, Takuya; Yoshida, Masato; Nanya, Atsushi; Ohe, Kouichi

    2016-06-13

    A phosphine-free iridium-catalyzed reaction of isoxazol-5(4H)-ones (isoxazolones) has been developed, and affords 2H-azirines through decarboxylation and ring contraction. This method provides an efficient and environmentally benign protocol which could replace the conventional approaches used to synthesize 2H-azirines.

  8. Synthesis and Antibacterial Activity of 3-(Substituted)-2-(4-oxo-2-phenylquinazolin-3(4H)-ylamino)quinazolin-4(3H)-one

    PubMed Central

    Appani, Ramgopal; Bhukya, Baburao; Gangarapu, Kiran

    2016-01-01

    A series of novel 3-(substituted)-2-(substituted quinazolinylamino)quinazolin-4(3H)-ones were synthesized by the reaction of 3-(substituted)-2-hydrazino-quinazoline-4(3H)-ones with 2-phenyl-3,1-benzoxazin-4-one. The starting materials 3-(substituted)-2-hydrazino-quinazolin-4(3H)-ones were synthesized from various primary amines by a multistep synthesis. All the title compounds were tested for their antibacterial activity using ciprofloxacin as reference standard. Compounds 3-(4-fluorophenyl)-2-(4-oxo-2-phenylquinazolin-3(4H)-ylamino)quinazolin-4(3H)-one (9a) and 3-(4-chlorophenyl)-2-(4-oxo-2-phenylquinazolin-3(4H)-ylamino)quinazolin-4(3H)-one (9h) emerged as the most active compounds of the series. These compounds have shown most potent antibacterial activity against the tested organisms of Proteus vulgaris and Bacillus subtilis having zone of inhibition values of 1.1 cm and 1.4 cm for compound 9a 1.2 cm and 1.0 cm for compound 9h, respectively. PMID:27190676

  9. Facile synthesis and herbicidal evaluation of 4H-3,1-benzoxazin-4-ones and 3H-quinazolin-4-ones with 2-phenoxymethyl substituents.

    PubMed

    Aibibuli, Zumuretiguli; Wang, Yufeng; Tu, Haiyang; Huang, Xiaoting; Zhang, Aidong

    2012-03-14

    Series of 4H-3,1-benzoxazin-4-ones and 3H-quinazolin-4-ones with phenoxy-methyl substituents were rationally designed and easily synthesized via one-pot N-acylation/ring closure reactions of anthranilic acids with 2-phenoxyacetyl chlorides to yield the 4H-3,1-benzoxazin-4-ones, and subsequently substituted with amino derivatives to obtain the 3H-quinazolin-4-ones. The herbicidal evaluation was performed on the model plants barnyard grass (a monocotyledon) and rape (a dicotyledon), and most of the title compounds displayed high levels of phytotoxicity. The active substructure and inhibitory phenotype analysis indicated that these compounds could be attributed to the class of plant hormone inhibitors. A docking study of several representative compounds with the hormone receptor TIR1 revealed an appreciable conformational match in the active site, implicating these compounds are potential lead hits targeting this receptor.

  10. Syntheses of (3) H-labeled, (14) C-labeled, and (2) H4 -labeled SCH 444877, phosphodiesterase type 5 inhibitors.

    PubMed

    Ren, Sumei; Hesk, David; McNamara, Paul; Koharski, David; Hendershot, Sharon

    2013-01-01

    The syntheses of [(3) H]SCH 444877, [(2) H4 ]SCH 444877, and [(14) C]SCH 444877 are described. [(3) H]SCH 444877 was prepared in three steps from tritium gas. [(2) H4 ]SCH 444877 was synthesized from [(2) H4 ]ethanolamine in four steps with an overall yield of 40%. [(14) C]SCH 444877 was prepared from barium [(14) C]cyanamide in 10 steps with an overall yield of 8.1%. PMID:24285525

  11. Iron-Catalyzed Directed C(sp(2))-H and C(sp(3))-H Functionalization with Trimethylaluminum.

    PubMed

    Shang, Rui; Ilies, Laurean; Nakamura, Eiichi

    2015-06-24

    Conversion of a C(sp(2))-H or C(sp(3))-H bond to the corresponding C-Me bond can be achieved by using AlMe3 or its air-stable diamine complex in the presence of catalytic amounts of an inorganic iron(III) salt and a diphosphine along with 2,3-dichlorobutane as a stoichiometric oxidant. The reaction is applicable to a variety of amide substrates bearing a picolinoyl or 8-aminoquinolyl directing group, enabling methylation of a variety of (hetero)aryl, alkenyl, and alkyl amides. The use of the mild aluminum reagent prevents undesired reduction of iron and allows the reaction to proceed with catalyst turnover numbers as high as 6500. PMID:26061014

  12. Background considerations for the 2H(7Be,3H)6Be experimental data II: Three-body continuum

    NASA Astrophysics Data System (ADS)

    Chae, K. Y.; Guimarães, V.

    2015-11-01

    The present article reports second background considerations for the experimentally obtained 2H(7Be,3H)6Be differential cross sections. The one-neutron transfer reaction was measured in inverse kinematics by using radioactive 7Be ( t 1/2 = 53.2 days) beams at the Holifield Radioactive Ion Beam Facility of the Oak Ridge National Laboratory in 2004 in order to search for the resonances in the unbound 6Be nucleus. Resonances in this nucleus would affect the 3He(3He,2 p)4He reaction rate of the proton-proton chain occurring in stars such as our sun. The result shows, however, that the direct transfer to 6Be resonances is not particularly strong compared to other reaction channels that can produce tritons in the exit channels. The goals of the present work is to better understand the cross section data from transfer reaction measurements by adopting background considerations using the three-body continuum.

  13. Meridional Distribution of CH3C2H and C4H2 in Saturn's Stratosphere from CIRS/Cassini Limb and Nadir Observations

    NASA Technical Reports Server (NTRS)

    Guerlet, Sandrine; Fouchet, Thierry; Bezard, Bruno; Moses, Julianne I.; Fletcher, Leigh N.; Simon-Miller, Amy A.; Flasar, F. Michael

    2010-01-01

    Limb and nadir spectra acquired by Cassini/CIRS (Composite InfraRed Spectrometer) are analyzed in order to derive, for the first time, the meridional variations of diacetylene (C4H2) and methylacetylene (CH3C2H) mixing ratios in Saturn's stratosphere, from 5 hPa up to 0.05 hPa and 80 deg S to 45 deg N. We find that the C4H2 and CH3C2H meridional distributions mimic that of acetylene (C2H2), exhibiting small-scale variations that are not present in photochemical model predictions. The most striking feature of the meridional distribution of both molecules is an asymmetry between mid-southern and mid-northern latitudes. The mid-southern latitudes are found depleted in hydrocarbons relative to their northern counterparts. In contrast, photochemical models predict similar abundances at north and south mid-latitudes. We favor a dynamical explanation for this asymmetry, with upwelling in the south and downwelling in the north, the latter coinciding with the region undergoing ring shadowing. The depletion in hydrocarbons at mid-southern latitudes could also result from chemical reactions with oxygen-bearing molecules. Poleward of 60 deg S, at 0.1 and 0.05 hPa, we find that the CH3C2H and C4H2 abundances increase dramatically. This behavior is in sharp contradiction with photochemical model predictions, which exhibit a strong decrease towards the south pole. Several processes could explain our observations, such as subsidence, a large vertical eddy diffusion coefficient at high altitudes, auroral chemistry that enhances CH3C2H and C4H2 production, or shielding from photolysis by aerosols or molecules produced from auroral chemistry. However, problems remain with all these hypotheses, including the lack of similar behavior at lower altitudes. Our derived mean mixing ratios at 0.5 hPa of (2.4 +/- 0.3) 10(exp -10) for C4H2 and of (1.1 +/- 0.3) 10(exp -9) for CH3C2H are compatible with the analysis of global-average ISO observations performed by Moses et al. Finally, we provide

  14. Rate constants and isotope effects for the CH3+ H2 → CH4+ H reaction by an approximate semiclassical initial-value representation method

    NASA Astrophysics Data System (ADS)

    Fernández-Ramos, Antonio; Martínez-Núñez, Emilio; Smedarchina, Zorka; Vázquez, Saulo A.

    2001-06-01

    Rate constants and kinetic isotope effects are calculated for the CH3+ H2 → CH4+ H reaction by two theoretical methods: variational transition state theory with semiclassical corrections for tunneling and an approximate (linearized) semiclassical initial-value representation method, recently proposed by H. Wang, X. Sun, W.H. Miller [J. Chem. Phys. 108 (1998) 9726]. The theoretical results agree well with each other and with the experimental data in the temperature range 500-1500 K. For high temperatures, the differences between the two theoretical rate constants arise from the more accurate treatment of dividing surface recrossings by Miller's method.

  15. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H8O2 Ethyl ethanoate (VMSD1212, LB4262_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H8O2 Ethyl ethanoate (VMSD1212, LB4262_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  16. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H9NO N,N-Dimethylethanamide (VMSD1412, LB4275_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H9NO N,N-Dimethylethanamide (VMSD1412, LB4275_V)' providing data by calculation of isentropic compressibility from low-pressure density and thermodynamic speed of sound data at variable mole fraction and constant temperature, in the single-phase region(s).

  17. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-1-ol (VMSD1511, LB4927_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-1-ol (VMSD1511, LB4927_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  18. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-2-ol (VMSD1212, LB4923_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-2-ol (VMSD1212, LB4923_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  19. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H8O2 Ethyl ethanoate (VMSD1511, LB4268_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H8O2 Ethyl ethanoate (VMSD1511, LB4268_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  20. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-1-ol (VMSD1212, LB4919_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-1-ol (VMSD1212, LB4919_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  1. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H9NO N,N-Dimethylethanamide (VMSD1212, LB4263_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H9NO N,N-Dimethylethanamide (VMSD1212, LB4263_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  2. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H9NO N,N-Dimethylethanamide (VMSD1511, LB4269_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H9NO N,N-Dimethylethanamide (VMSD1511, LB4269_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  3. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-2-ol (VMSD1111, LB4915_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-2-ol (VMSD1111, LB4915_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  4. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-1-ol (VMSD1111, LB4911_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H10O Butan-1-ol (VMSD1111, LB4911_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  5. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H8O2 Ethyl ethanoate (VMSD1111, LB4252_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H8O2 Ethyl ethanoate (VMSD1111, LB4252_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  6. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H9NO N,N-Dimethylethanamide (VMSD1111, LB4255_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H9NO N,N-Dimethylethanamide (VMSD1111, LB4255_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  7. Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H8O2 Ethyl ethanoate (VMSD1412, LB4274_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Propenenitrile C3H3N + C4H8O2 Ethyl ethanoate (VMSD1412, LB4274_V)' providing data by calculation of isentropic compressibility from low-pressure density and thermodynamic speed of sound data at variable mole fraction and constant temperature, in the single-phase region(s).

  8. Elaborating the phase behaviour of ethylene oxide oligomers and analogues in 2H, 3H-perfluoropentane.

    PubMed

    Griffiths, Peter C; Côte, Marie; Rogueda, Philippe G A

    2008-10-01

    Pressure metered dose inhalers (pMDIs) are seen as an attractive option for the delivery of active molecules to the bloodstream via the lungs. Formulation issues are important as it is necessary to disperse the active substance into a volatile propellant. The phase behaviour of a range of common formulation agents - excipients - in 2H, 3H-perfluoropentane is reported here, focussing on the effects of simple elaboration of a central ethylene-oxide (EO) moiety. The base series of hydroxyl terminated EO fragments exhibited lower consolute solution temperature (LCST) behaviour that was strongly molecular weight-dependent. Substitution of methyl groups in place of the hydroxyl groups at the terminus of the EO fragment had a pronounced effect on the solubility of the oligomeric or polymeric material, the material becoming fully miscible with the HPFP. Substitution of methyl groups along the backbone of the hydroxyl terminated EO greatly enhanced the solubility of the materials, but the exhibited phase behaviour was still that of LCST. Longer alkyl groups at the terminus of the EO were found to promote the solubility compared to the hydroxyl terminated material, but to a relatively smaller degree compared with the methyl group. It is hoped that these simple "design rules" should facilitate the development of designer excipients tailored for a particular application. PMID:18601989

  9. Fabrication of Indocyanine Green and 2H, 3H-perfluoropentane loaded microbubbles for fluorescence and ultrasound imaging

    NASA Astrophysics Data System (ADS)

    He, Yutong; Wu, Qiang; Ma, Rong; Chang, Shufang; Shao, Pengfei; Xu, Ronald

    2016-03-01

    As a near-infrared (NIR) fluorescence dye, Indocyanine Green (ICG) has not gained broader clinical applications, owing to its multiple limitations such as concentration-dependent aggregation, low fluorescence quantum yield, poor physicochemical stability and rapid elimination from the body. In the meanwhile, 2H,3H-perfluoropentane (H-PFP) has been widely studied in ultrasound imaging as a vehicle for targeted delivery of contrast agents and drugs. We synthesized a novel dual-modal fluorescence and ultrasound contrast agent by encapsulating ICG and H-PFP in lipid microbubbles using a liquid-driven coaxial flow focusing (LDCFF) process. Uniform microbubbles with the sizes ranging from 1-10um and great ICG loading efficiency was achieved by this method. Our benchtop experiments showed that ICG/H-PFP microbubbles exhibited less aggregation, increased fluorescence intensity and more stable photostability compared to free ICG aqueous solution. Our phantom experiments demonstrated that ICG/H-PFP microbubbles enhanced the imaging contrasts in fluorescence imaging and ultrasonography. Our animal experiments indicated that ICG/H-PFP microbubbles extended the ICG life time and facilitated dual mode fluorescence and ultrasound imaging in vivo.

  10. 2H,3H-Decafluoropentane-Based Nanodroplets: New Perspectives for Oxygen Delivery to Hypoxic Cutaneous Tissues

    PubMed Central

    Jose, Jithin; Khadjavi, Amina; Cavallo, Federica; Quaglino, Elena; Panariti, Alice; Rivolta, Ilaria; Benintende, Emilio; Varetto, Gianfranco; Argenziano, Monica; Troia, Adriano; Cavalli, Roberta; Guiot, Caterina

    2015-01-01

    Perfluoropentane (PFP)-based oxygen-loaded nanobubbles (OLNBs) were previously proposed as adjuvant therapeutic tools for pathologies of different etiology sharing hypoxia as a common feature, including cancer, infection, and autoimmunity. Here we introduce a new platform of oxygen nanocarriers, based on 2H,3H-decafluoropentane (DFP) as core fluorocarbon. These new nanocarriers have been named oxygen-loaded nanodroplets (OLNDs) since DFP is liquid at body temperature, unlike gaseous PFP. Dextran-shelled OLNDs, available either in liquid or gel formulations, display spherical morphology, ~600 nm diameters, anionic charge, good oxygen carrying capacity, and no toxic effects on human keratinocytes after cell internalization. In vitro OLNDs result more effective in releasing oxygen to hypoxic environments than former OLNBs, as demonstrated by analysis through oxymetry. In vivo, OLNDs effectively enhance oxy-hemoglobin levels, as emerged from investigation by photoacoustic imaging. Interestingly, ultrasound (US) treatment further improves transdermal oxygen release from OLNDs. Taken together, these data suggest that US-activated, DFP-based OLNDs might be innovative, suitable and cost-effective devices to topically treat hypoxia-associated pathologies of the cutaneous tissues. PMID:25781463

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

    NASA Astrophysics Data System (ADS)

    Ahmad, Bhat Zahoor; Want, Basharat

    2016-04-01

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

  12. 6-Hydroxy-1,2,4-triazine-3,5(2H,4H)-dione Derivatives as Novel d-Amino Acid Oxidase Inhibitors

    PubMed Central

    2015-01-01

    A series of 2-substituted 6-hydroxy-1,2,4-triazine-3,5(2H,4H)-dione derivatives were synthesized as inhibitors of d-amino acid oxidase (DAAO). Many compounds in this series were found to be potent DAAO inhibitors, with IC50 values in the double-digit nanomolar range. The 6-hydroxy-1,2,4-triazine-3,5(2H,4H)-dione pharmacophore appears metabolically resistant to O-glucuronidation unlike other structurally related DAAO inhibitors. Among them, 6-hydroxy-2-(naphthalen-1-ylmethyl)-1,2,4-triazine-3,5(2H,4H)-dione 11h was found to be selective over a number of targets and orally available in mice. Furthermore, oral coadministration of d-serine with 11h enhanced the plasma levels of d-serine in mice compared to the oral administration of d-serine alone, demonstrating its ability to serve as a pharmacoenhancer of d-serine. PMID:26309148

  13. Application of a quantum cascade laser for time-resolved, in situ probing of CH4/H2 and C2H2/H2 gas mixtures during microwave plasma enhanced chemical vapor deposition of diamond.

    PubMed

    Cheesman, A; Smith, J A; Ashfold, M N R; Langford, N; Wright, S; Duxbury, G

    2006-03-01

    First illustrations of the utility of pulsed quantum cascade lasers for in situ probing of the chemistry prevailing in microwave plasma activated hydrocarbon/Ar/H2 gas mixtures used for diamond thin film growth are reported. CH4 and C2H2 molecules, and their interconversion, have been monitored by line-of-sight single pass absorption methods, as a function of process conditions (e.g., choice of input hydrocarbon (CH4 or C2H2), hydrocarbon mole fraction, total gas pressure, and applied microwave power). The observed trends can be rationalized, qualitatively, within the framework of the previously reported modeling of the gas-phase chemistry prevailing in hot filament activated hydrocarbon/H2 gas mixtures (Ashfold et al. Phys. Chem. Chem. Phys. 2001, 3, 3471). Column densities of vibrationally excited C2H2(v5=1) molecules at low input carbon fractions are shown to be far higher than expected on the basis of local thermodynamic equilibrium. The presence of vibrationally excited C2H2 molecules (C2H2(double dagger)) can be attributed to the exothermicity of the C2H3 + H <==> C2H2 + H2 elementary reaction within the overall multistep CH4 --> C2H2 conversion. Diagnostic methods that sample just C2H2(v=0) molecules thus run the risk of underestimating total C2H2 column densities in hydrocarbon/H2 mixtures operated under conditions where the production rate of C2H2(double dagger) molecules exceeds their vibrational relaxation (and thermal equilibration) rates.

  14. Cascade alkylarylation of substituted N-allylbenzamides for the construction of dihydroisoquinolin-1(2H)-ones and isoquinoline-1,3(2H,4H)-diones

    PubMed Central

    Qian, Ping; Du, Bingnan; Jiao, Wei; Mei, Haibo

    2016-01-01

    Summary An oxidative reaction for the synthesis of 4-alkyl-substituted dihydroisoquinolin-1(2H)-ones with N-allylbenzamide derivatives as starting materials has been developed. The radical alkylarylation reaction proceeds through a sequence of alkylation and intramolecular cyclization. The substituent on the C–C double bond was found to play a key role for the progress of the reaction to give the expected products with good chemical yields. Additionally, N-methacryloylbenzamides were also suitable substrates for the current reaction and provided the alkyl-substituted isoquinoline-1,3(2H,4H)-diones in good yield. PMID:26977189

  15. Electronic-state-specific transition metal cation chemistry: Fe++C3H8 and n-C4H10

    NASA Astrophysics Data System (ADS)

    Hanton, Scott D.; Noll, Robert J.; Weisshaar, James C.

    1992-04-01

    We present total reaction cross sections and product branching fractions for collisions of specific electronic states of Fe+ with the linear alkanes C3H8 and n-C4H10 at two collision energies each, 0.2 and 1.0 eV. Resonant two-photon ionization prepares specific electronic state distributions of Fe+, as described in the preceding paper. A crossed beam experiment using pulsed, time-of-flight mass spectrometry measures total reaction cross sections averaged over known state distributions, from which we extract state-specific cross sections. The three lowest energy electronic terms of Fe+, 3d64s(6D), 3d7(4F), and 3d64s(4D), show remarkably similar reactivity with both alkanes. The relative cross section varies only a factor of 4 in Fe++C3H8 and less than a factor of 2 in Fe++C4H10, in spite of sampling both sextet and quartet spins, 3d64s and 3d7 configurations, and a range of 1.1 eV electronic energy. Product branching between H2 and alkane elimination is insensitive to initial electronic state as well. All reactions are inefficient compared with the Langevin cross section. We propose a model of Fe++alkane chemistry that assumes that all those Fe+ that insert in a C-H bond of the alkane proceed to elimination products. Spin-changing surface hops between diabatic potential surfaces correlating to different reactant asymptotes (i.e., electronic quenching) competes with bond insertion, explaining the low reactivity of the 3d7(4F) term.

  16. Improvement in the etching performance of the acrylonitrile-butadiene-styrene resin by MnO2-H3PO4-H2SO4 colloid.

    PubMed

    Zhao, Wenxia; Ding, Jie; Wang, Zenglin

    2013-05-21

    The present study aimed to evaluate the surface etching of the acrylonitrile-butadiene-styrene (ABS) resin in the MnO2-H3PO4-H2SO4 colloid. To enhance the soluble Mn(IV) ion concentration and improve the etching performance of ABS resin, H3PO4 was added as a complexing agent into the MnO2-H2SO4 etching system. The effects of the H2SO4 concentration and etching time on the surface topography, surface roughness, adhesion strength, and the surface chemistry of the ABS substrates were investigated. The optimal oxidation potentials of MnO2 in the colloids decreased from 1.426 to 1.369 V with the addition of H3PO4. Though the etching conditions changed from 70 °C for 20 min to 60 °C for 10 min, the adhesion strength between the ABS substrates and electroless copper film increased from 1.19 to 1.33 KN/m after etching treatment. This could be attributed to the significant increase of the soluble Mn(IV) ion concentration in the MnO2-H3PO4-H2SO4 colloid. The surface chemistry results demonstrated that the oxidation reaction of -C═C- bonds in the polybutadiene phase was accelerated in the etching process by the addition of H3PO4, and the abundant -COOH and -OH groups were formed rapidly on the ABS surface with the etching treatment. These results were in agreement with the results of surface scanning electron microscopic observations and adhesion strength measurement. The results suggested that the MnO2-H3PO4-H2SO4 colloid was an effective surface etching system for the ABS surface roughness. PMID:23611532

  17. Theoretical study of the bonding of Sc, Y, and La singly charged and dipositive ions to C2H2, C2H4, and C3H6

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.

    1991-01-01

    The interaction of the Sc and Y singly-charged and dipositive ions with C2H2, C2H4, and C3H6 is studied using electronic structure calculations that include high levels of electron correlation. These results are compared with comparable calculations performed previously for La(+) and La(2+). For C2H2 and C2H4, all three metal ions insert into the C-C pi bond, making a three-membered ring. The optimal structures for the MC3H6(+) ions all involve rearrangement to make a four-membered ring. The strength of the metal-ligand bond for the singly charged ions follows the order La greater than Sc equal to about Y. In contrast, the bonds involving the dipositive ions are electrostatic, so that the binding energy increases as the size of the ion decreases, leading to the trend Sc greater than Y greater than La.

  18. Rhodium-catalyzed cascade oxidative annulation leading to substituted naphtho[1,8-bc]pyrans by sequential cleavage of C(sp2)-H/C(sp3)-H and C(sp2)-H/O-H bonds.

    PubMed

    Tan, Xing; Liu, Bingxian; Li, Xiangyu; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan

    2012-10-01

    The cascade oxidative annulation reactions of benzoylacetonitrile with internal alkynes proceed efficiently in the presence of a rhodium catalyst and a copper oxidant to give substituted naphtho[1,8-bc]pyrans by sequential cleavage of C(sp(2))-H/C(sp(3))-H and C(sp(2))-H/O-H bonds. These cascade reactions are highly regioselective with unsymmetrical alkynes. Experiments reveal that the first-step reaction proceeds by sequential cleavage of C(sp(2))-H/C(sp(3))-H bonds and annulation with alkynes, leading to 1-naphthols as the intermediate products. Subsequently, 1-naphthols react with alkynes by cleavage of C(sp(2))-H/O-H bonds, affording the 1:2 coupling products. Moreover, some of the naphtho[1,8-bc]pyran products exhibit intense fluorescence in the solid state. PMID:22989331

  19. Freestanding AlN single crystals enabled by self-organization of 2H-SiC pyramids on 4H-SiC substrates

    NASA Astrophysics Data System (ADS)

    Yazdi, G. R.; Beckers, M.; Giuliani, F.; Syväjärvi, M.; Hultman, L.; Yakimova, R.

    2009-02-01

    A sublimation-recondensation process is presented for high quality AlN (0001) crystals at a high growth rate by employing 4H-SiC substrates with a predeposited epilayer. It is based on the coalescence of well oriented AlN microrods, which evolve from the apex of 2H-SiC pyramids grown out of hexagonal pits formed by thermal etching of the substrate during a temperature ramp up. This process yields stress-free 120-μm-thick AlN single crystals with a dislocation density as low as 2×106cm-2.

  20. Testing the Palma-Clary Reduced Dimensionality Model Using Classical Mechanics on the CH4 + H → CH3 + H2 Reaction.

    PubMed

    Vikár, Anna; Nagy, Tibor; Lendvay, György

    2016-07-14

    Application of exact quantum scattering methods in theoretical reaction dynamics of bimolecular reactions is limited by the complexity of the equations of nuclear motion to be solved. Simplification is often achieved by reducing the number of degrees of freedom to be explicitly handled by freezing the less important spectator modes. The reaction cross sections obtained in reduced-dimensionality (RD) quantum scattering methods can be used in the calculation of rate coefficients, but their physical meaning is limited. The accurate test of the performance of a reduced-dimensionality method would be a comparison of the RD cross sections with those obtained in accurate full-dimensional (FD) calculations, which is not feasible because of the lack of complete full-dimensional results. However, classical mechanics allows one to perform reaction dynamics calculations using both the RD and the FD model. In this paper, an RD versus FD comparison is made for the 8-dimensional Palma-Clary model on the example of four isotopologs of the CH4 + H → CH3 + H2 reaction, which has 12 internal dimensions. In the Palma-Clary model, the only restriction is that the methyl group is confined to maintain C3v symmetry. Both RD and FD opacity and excitation functions as well as differential cross sections were calculated using the quasiclassical trajectory method. The initial reactant separation has been handled according to our one-period averaging method [ Nagy et al. J. Chem. Phys. 2016, 144, 014104 ]. The RD and FD excitation functions were found to be close to each other for some isotopologs, but in general, the RD reactivity parameters are lower than the FD reactivity parameters beyond statistical error, and for one of the isotopologs, the deviation is significant. This indicates that the goodness of RD cross sections cannot be taken for granted. PMID:26918703

  1. Synthesis and Application of Tetrahydro-2H-fluorenes by a Pd(0)-Catalyzed Benzylic C(sp(3) )-H Functionalization.

    PubMed

    Suetsugu, Satoshi; Muto, Nobusuke; Horinouchi, Misa; Tsukano, Chihiro; Takemoto, Yoshiji

    2016-06-01

    A new method has been developed for the synthesis of tetrahydro-2H-fluorenes based on a Pd(0)-catalyzed benzylic C(sp(3) )-H functionalization. Importantly, the success of the cyclization step was dependent on there being substituents at the two positions ortho to the benzylic group to avoid an undesired C(sp(2) )-H functionalization. This method was subsequently used to prepare the right-hand fragment of the hexacyclic triterpenoid benzohopanes, and therefore represents a powerful tool for the construction of the related compounds.

  2. A new room-temperature ultraviolet emission material: K2[Ni(C2O4)2(H2O)2]·4H2O

    NASA Astrophysics Data System (ADS)

    Narsimhulu, M.; Raju, B.; Saritha, A.; Narayana Rao, D.; Hussain, K. A.

    2015-09-01

    In this study, we investigated the crystal structure, ultraviolet (UV) luminescence, and magnetic properties of potassium bis oxalate nickel(II) tetrahydrate {K2[Ni(C2O4)2(H2O)2]·4H2O} crystals. This compound crystallizes in the monoclinic system with a P21/c space group and exhibits a one-dimensional (1D) chain structure. The Ni(II) metal center possesses an octahedral environment, with four oxygen atoms from two bidentate oxalate ligands and two oxygen atoms from water molecules. Infrared spectroscopy was used to study the vibrational modes of the compound. Interestingly, the complex exhibits intense UV emission at 364 nm when excited at 323 nm. Furthermore, the luminescence lifetime is approximately 50 μs. The magnetic susceptibility and field dependent magnetization measurements revealed a paramagnetic behavior above 20 K and antiferromagnetic ordering at low temperatures.

  3. Catalytic functionalization of low reactive C(sp(3))-H and C(sp(2))-H bonds of alkanes and arenes by carbene transfer from diazo compounds.

    PubMed

    Caballero, Ana; Díaz-Requejo, M Mar; Fructos, Manuel R; Olmos, Andrea; Urbano, Juan; Pérez, Pedro J

    2015-12-21

    The direct functionalization of low reactive C(sp(3))-H and C(sp(2))-H bonds of alkanes and arenes, respectively, by metal-induced carbene transfer from diazo compounds is reviewed. To date, this methodology has enabled the incorporation of CR(1)R(2) moieties from N2[double bond, length as m-dash]CR(1)R(2) in a chemo, regio, enantio or diastereoselective manner in those substrates with the appropriate selection of metal and ligands.

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

    SciTech Connect

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

    2009-12-22

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

  5. Reaction of the C2H radical with 1-butyne (C4H6): low-temperature kinetics and isomer-specific product detection.

    PubMed

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

    2010-03-11

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

  6. Ab initio chemical kinetics for SiH2 + Si2H6 and SiH3 + Si2H5 reactions and the related unimolecular decomposition of Si3H8 under a-Si/H CVD conditions.

    PubMed

    Raghunath, P; Lin, M C

    2013-10-24

    The kinetics and mechanisms for SiH2 + Si2H6 and SiH3 + Si2H5 reactions and the related unimolecular decomposition of Si3H8 have been investigated by ab initio molecular orbital theory based on the QCISD(T)/CBS//QCISD/6-311++G(d,p) method in conjunction with quantum statistical variational Rice-Ramsperger-Kassel-Marcus (RRKM) calculations. For the barrierless radical association processes, their variational transition states have been characterized by the CASPT2//CASSCF method. The species involved in the study are known to coexist under CVD conditions. The results show that the association reaction of SiH2 and Si2H6 producing Si3H8 occurs by insertion via its lowest-energy path forming a loose hydrogen-bonding molecular complex with 8.3 kcal/mol binding energy; the reaction is exothermic by 55.0 kcal/mol. The chemically activated Si3H8 adduct can fragment by several paths, producing SiH4 + SiH3SiH (-0.7 kcal/mol), Si(SiH3)2 + H2 (-1.4 kcal/mol), and SiH3SiH2SiH + H2 (-1.4 kcal/mol). The predicted enthalpy changes as given agree well with available thermochemical data. Three other decomposition channels of Si3H8 occurring by Si-H or Si-Si breaking were found to be highly endothermic, and the reactions take place without a well-defined barrier. The heats of formation of Si3H8, SiH2SiH, Si2H4, i-Si3H7, n-Si3H7, Si(SiH3)2, and SiH3SiH2SiH have been predicted and found to be in close agreement with those available data in the literature. The product branching rate constants for SiH2 + Si2H6 and SiH3 + Si2H5 reactions and the thermal unimolecular decomposition of Si3H8 for all low-energy paths have been calculated with multichannel variational RRKM theory covering varying P,T conditions typically employed in PECVD and Cat-CVD processes for hydrogenated amorphous silicon (a-Si/H) film growth. The results were also found to be in good agreement with available kinetic data. Our kinetic results may be employed to model and control very large-area a-Si/H film growth for a

  7. Water - Isotope - Map (δ 18O, δ 2H, 3H) of Austria: Applications, Extremes and Trends

    NASA Astrophysics Data System (ADS)

    Wyhlidal, Stefan; Kralik, Martin; Benischke, Ralf; Leis, Albrecht; Philippitsch, Rudolf

    2016-04-01

    The isotopic ratios of oxygen and hydrogen in water (2H/1H and 18O/16O) are important tools to characterise waters and their cycles. This starts in the atmosphere as rain or snow and continues in surface water and ends in shallow groundwater as well as in deep groundwater. Tritium formed by natural cosmic radiation in the upper atmosphere and in the last century by tests of thermonuclear bombs in the atmosphere, is characterised by its radioactive decay with a half-life of 12.32 years and is an ideal age-marker during the last 60 years. To determine the origin and mean age of waters in many projects concerning water supply, engineering and scientific projects in the last 45 years on more than 1,350 sites, more than 40,000 isotope measurements were performed in Austria. The median value of all sites of oxygen-18 is δ 18O -10.7 ‰ and for hydrogen-2 δ 2H -75 ‰. As the fractionation is mainly temperature dependent the lowest negative values are observed in winter precipitation (oxygen-18 as low as δ 18O -23 ‰) and in springs in the mountain regions (δ 18O -15.1 ‰). In contrast the highest values were observed in summer precipitation (up to δ 18O - 0.5 ‰) and in shallow lakes in the Seewinkel (up to δ 18O + 5 ‰). The isotopic ratios of the Austrian waters are also influenced by the origin of the evaporated water masses. Therefore the precipitation in the region south of the main Alpine crest (East-Tyrol, Carinthia and South-East Styria) is approximately 1 ‰ higher in δ 18O-values than sites at the same altitude in the northern part. This is most probably caused by the stronger influence of precipitation from the mediterranean area. The median value of all 1,120 sampling sites of decay corrected (2015) tritium measurements is 6.2 tritium units (TU). This is somewhat smaller than the median value of all precipitation stations with 7.2 TU. This can be explained by the fact that in most cases in groundwater the median value has been reduced by decay

  8. The {sup 3}He(e,e'p){sup 2}H and {sup 4}He(e,e'p){sup 3}H reactions at high momentum transfer

    SciTech Connect

    Ford, William P.; Schiavilla, Rocco; Van Orden, J. W.

    2014-03-01

    We present updated calculations for observables in the processes {sup 3}He(e,e'p){sup 2}H, {sup 4}He(e,e'p){sup 3}H and {sup 4}He(e-vector, e'p-vector){sup 3}H. This update entails the implementation of improved nucleon-nucleon (NN) amplitudes to describe final state interactions (FSI) within a Glauber approximation and includes full spin-isospin dependence in the profile operator. In addition, an optical potential, which has also been updated since previous work, is utilized to treat FSI for the {sup 4}He(e,e'p){sup 3}H and {sup 4}He(e-vector, e'p-vector){sup 3}H reactions. The calculations are compared with experimental data and show good agreement between theory and experiment. Comparisons are made between the various approximations in the Glauber treatment, including model dependence due to the NN scattering amplitudes, rescattering contributions, and spin dependence. We also analyze the validity of the Glauber approximation at the kinematics the data is available, by comparing to the results obtained with the optical potential.

  9. Hydration of DNA by tritiated water and isotope distribution: a study by /sup 1/H, /sup 2/H, and /sup 3/H NMR spectroscopy

    SciTech Connect

    Mathur-De Vre, R.; Grimee-Declerck, R.; Lejeune, P.; Bertinchamps, A.J.

    1982-06-01

    The hydration layer of DNA (0.75%) in tritiated water represents 3.5% of solvent /sup 3/HHO. The combined effects of temperature (-6 to -40/sup 0/C) and H/sub 2/O//sup 2/H/sub 2/O solvent composition on the spin-lattice relaxation times of water protons and deuterons suggest selective distribution of isotopes in the hydration layer. The ''hydration isotope'' effect and the localization of tritiated water molecules in the hydration layer of DNA have important implications in describing the radiobiological effects of tritiated water because the initial molecular damage caused by /sup 3/HHO (internal radiation source) localizes close to /sup 3/H due to the short range and low energy of /sup 3/H ..beta.. rays.

  10. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (VMSD1212, LB5136_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (VMSD1212, LB5136_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  11. Heat of Mixing and Solution of Ethanol C2H6O + C3H6O3 Dimethyl carbonate (HMSD1121, LB4328_H)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'heat of Mixing and Solution of Ethanol C2H6O + C3H6O3 Dimethyl carbonate (HMSD1121, LB4328_H)' providing data from direct calorimetric measurement of molar excess enthalpy at variable mole fraction and constant pressure and temperature.

  12. Heat of Mixing and Solution of Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (HMSD1111, LB4314_H)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'heat of Mixing and Solution of Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (HMSD1111, LB4314_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  13. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (VMSD1111, LB5133_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H6O3 Dimethyl carbonate (VMSD1111, LB5133_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  14. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H3N Propenenitrile (VMSD1511, LB4270_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H3N Propenenitrile (VMSD1511, LB4270_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  15. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H3N Propenenitrile (VMSD1212, LB4258_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H3N Propenenitrile (VMSD1212, LB4258_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  16. Volumetric Properties of the Mixture Ethanenitrile C2H3N + C3H3N Propenenitrile (VMSD1111, LB4250_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethanenitrile C2H3N + C3H3N Propenenitrile (VMSD1111, LB4250_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  17. Volumetric Properties of the Mixture Ethanol C2H6O + C3H3N Propenenitrile (VMSD1511, LB4925_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethanol C2H6O + C3H3N Propenenitrile (VMSD1511, LB4925_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  18. Volumetric Properties of the Mixture Ethanol C2H6O + C3H3N Propenenitrile (VMSD1212, LB4917_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethanol C2H6O + C3H3N Propenenitrile (VMSD1212, LB4917_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  19. Vapor-Liquid Equilibrium in the Mixture 1,2-Dichloroethane C2H4Cl2 + C3H3N Propenenitrile (EVLM1211, LB5647_E)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'vapor-Liquid Equilibrium in the Mixture 1,2-Dichloroethane C2H4Cl2 + C3H3N Propenenitrile (EVLM1211, LB5647_E)' providing data from direct measurement of temperature at variable mole fraction in liquid phase and constant pressure.

  20. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H3N Propenenitrile (VMSD1111, LB4256_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H3N Propenenitrile (VMSD1111, LB4256_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  1. Volumetric Properties of the Mixture Ethanenitrile C2H3N + C3H3N Propenenitrile (VMSD1212, LB4257_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethanenitrile C2H3N + C3H3N Propenenitrile (VMSD1212, LB4257_V)' providing data by calculation of molar excess volume from low-pressure density measurements at variable mole fraction and constant temperature.

  2. Volumetric Properties of the Mixture Ethanenitrile C2H3N + C3H3N Propenenitrile (VMSD1511, LB4264_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethanenitrile C2H3N + C3H3N Propenenitrile (VMSD1511, LB4264_V)' providing data from direct measurement of low-pressure thermodynamic speed of sound at variable mole fraction and constant temperature, in the single-phase region(s).

  3. Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H3N Propenenitrile (VMSD1412, LB4276_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Dimethyl sulfoxide C2H6OS + C3H3N Propenenitrile (VMSD1412, LB4276_V)' providing data by calculation of isentropic compressibility from low-pressure density and thermodynamic speed of sound data at variable mole fraction and constant temperature, in the single-phase region(s).

  4. Volumetric Properties of the Mixture Ethanenitrile C2H3N + C3H3N Propenenitrile (VMSD1412, LB4277_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethanenitrile C2H3N + C3H3N Propenenitrile (VMSD1412, LB4277_V)' providing data by calculation of isentropic compressibility from low-pressure density and thermodynamic speed of sound data at variable mole fraction and constant temperature, in the single-phase region(s).

  5. Volumetric Properties of the Mixture Ethanol C2H6O + C3H3N Propenenitrile (VMSD1111, LB4908_V)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume A 'Binary Liquid Systems of Nonelectrolytes I' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Ethanol C2H6O + C3H3N Propenenitrile (VMSD1111, LB4908_V)' providing data from direct low-pressure measurement of mass density at variable mole fraction and constant temperature, in the single-phase region(s).

  6. Unexpected formation of new fluoroboranes from the reaction of NMe4B3H8 with BF3 and MeC identical with CH: exo-2-FB4H9 and trans-MeCH=CHBF2.

    PubMed

    Fox, Mark A; Greatrex, Robert; Ormsby, Daniel L

    2002-09-21

    The new fluoroboranes exo-2-FB4H9 1 and trans-MeCH=CHBF2 2 have been obtained unexpectedly and in good yield from the reaction of tetramethylammonium octahydrotriborate (NMe4B3H8) with boron trifluoride and propyne (MeC identical to CH).

  7. The distribution of radioactive ( 3H, 14C) and stable ( 2H, 18O) isotopes in precipitation, surface and groundwaters of NW Yugoslavia

    NASA Astrophysics Data System (ADS)

    Horvatinčić, Nada; Krajcar-Bronić, Ines; Pezdič, Jože; Srdoč, Dušan; Obelić, Bogomil

    1986-11-01

    The isotopic measurements ( 2H, 3H, 18O) of precipitiation in Zagreb (since 1976) and Ljubljana (since 1981) in NW Yugoslavia show seasonal variations typical of the Northern hemisphere. Continuous measurements of tritium concentration in the Sava River ca 10 km upstream from Zagreb have been performed since 1976. Data show a smooth line without periodical changes, but a steady decrease is obvious. The sampling place is situated ca 30 km downstream from the Kr\\vsko Nuclear Power Plant. No change in tritium concentration due to the operation of the power plant has been observed. A comprehensive program of monitoring of the 14C activity in air CO 2 as well as in vegetables, cereals and tree-rings in the surroundings of the Nuclear Power Plant Kr\\vsko has been carried out since 1984. The measurement of 2H and 18O in karst springs of the Korana River catchmet area (Plitvice National Park) gave a meteoric water line equal to δ2H = 7.9 δ18O + 8.5, which is typical of the NW part of Yugoslavia. A fairly constant concentration of 2H and 18O in spring water indicates a thorough mixing of water in the karst aquifers. The mean residence time (MRT) of karst water was determined by measuring monthly tritium activity of spring water. The MRT is very short, ranging between 1 and 4 years on average.

  8. Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease

    PubMed Central

    2015-01-01

    Seasonal and pandemic influenza outbreaks remain a major human health problem. Inhibition of the endonuclease activity of influenza RNA-dependent RNA polymerase is attractive for the development of new agents for the treatment of influenza infection. Our earlier studies identified a series of 5- and 6-phenyl substituted 3-hydroxypyridin-2(1H)-ones that were effective inhibitors of influenza endonuclease. These agents identified as bimetal chelating ligands binding to the active site of the enzyme. In the present study, several aza analogues of these phenyl substituted 3-hydroxypyridin-2(1H)-one compounds were synthesized and evaluated for their ability to inhibit the endonuclease activity. In contrast to the 4-aza analogue of 6-(4-fluorophenyl)-3-hydroxypyridin-2(1H)-one, the 5-aza analogue (5-hydroxy-2-(4-fluorophenyl)pyrimidin-4(3H)-one) did exhibit significant activity as an endonuclease inhibitor. The 6-aza analogue of 5-(4-fluorophenyl)-3-hydroxypyridin-2(1H)-one (6-(4-fluorophenyl)-4-hydroxypyridazin-3(2H)-one) also retained modest activity as an inhibitor. Several varied 6-phenyl-4-hydroxypyridazin-3(2H)-ones and 2-phenyl-5-hydroxypyrimidin-4(3H)-ones were synthesized and evaluated as endonuclease inhibitors. The SAR observed for these aza analogues are consistent with those previously observed with various phenyl substituted 3-hydroxypyridin-2(1H)-ones. PMID:25225968

  9. DETECTIONS OF C{sub 2}H, CYCLIC-C{sub 3}H{sub 2}, AND H{sup 13}CN IN NGC 1068

    SciTech Connect

    Nakajima, T.; Takano, S.; Kohno, K.; Inoue, H.

    2011-02-20

    We used the Nobeyama 45 m telescope to conduct a spectral line survey in the 3 mm band (85.1-98.4 GHz) toward one of the nearest galaxies with an active galactic nucleus (AGN), NGC 1068, and the prototypical starburst galaxy NGC 253. The beam size of this telescope is {approx} 18'', which was sufficient to spatially separate the nuclear molecular emission from the emission of the circumnuclear starburst region in NGC 1068. We detected rotational transitions of C{sub 2}H, cyclic-C{sub 3}H{sub 2}, and H{sup 13}CN in NGC 1068. These are detections of carbon-chain and carbon-ring molecules in NGC 1068. In addition, the C{sub 2}H N = 1-0 lines were detected in NGC 253. The column densities of C{sub 2}H were determined to be 3.4 x 10{sup 15} cm{sup -2} in NGC 1068 and 1.8 x 10{sup 15} cm{sup -2} in NGC 253. The column densities of cyclic-C{sub 3}H{sub 2} were determined to be 1.7 x 10{sup 13} cm{sup -2} in NGC 1068 and 4.4 x 10{sup 13} cm{sup -2} in NGC 253. We calculated the abundances of these molecules relative to CS for both NGC 1068 and NGC 253, and found that there were no significant differences in the abundances between the two galaxies. This result suggests that the basic carbon-containing molecules are either insusceptible to AGN or are tracing cold (T{sub rot} {approx} 10 K) molecular gas rather than X-ray irradiated hot gas.

  10. Theoretical study of the radiative capture reactions {sup 2}H(n,{gamma}){sup 3}H and {sup 2}H(p,{gamma}){sup 3}He at low energies

    SciTech Connect

    M. Viviani; R. Schiavilla; A. Kievsky

    1996-02-01

    Correlated Hyperspherical Harmonics wave functions with {Delta}-isobar admixtures obtained from realistic interactions are used to study the thermal neutron radiative capture on deuterium, and the {sup 2}H({rvec p},{gamma}){sup 3}He and p({rvec d},{gamma}){sup 3}He reactions in the center of mass energy range 0-100 keV. The nuclear electromagnetic current includes one and two-body components. Results for the {sup 2}H({rvec d},{gamma}){sup 3}H cross section and photon polarization parameter, as well as for the energy dependence of the astrophysical factor and angular distributions of the differential cross section, vector and tensor analyzing powers, and photon linear polarization coefficient of the {sup 2}H({rvec p},{gamma}){sup 3}He and p({rvec d},{gamma}){sup 3}He reactions are reported. Large effects due to two-body currents, in particular the long-range ones associated with the tensor component of the nucleon-nucleon interaction, are observed in the photon polarization parameter and vector analyzing power. Good, quantitative agreement between theory and experiment is found for all observables, with the exception of the vector analyzing power for which the calculated values underestimate the data by about 30%.

  11. Origin of methane in serpentinite-hosted hydrothermal systems: The CH4-H2-H2O hydrogen isotope systematics of the Hakuba Happo hot spring

    NASA Astrophysics Data System (ADS)

    Suda, Konomi; Ueno, Yuichiro; Yoshizaki, Motoko; Nakamura, Hitomi; Kurokawa, Ken; Nishiyama, Eri; Yoshino, Koji; Hongoh, Yuichi; Kawachi, Kenichi; Omori, Soichi; Yamada, Keita; Yoshida, Naohiro; Maruyama, Shigenori

    2014-01-01

    Serpentinite-hosted hydrothermal systems have attracted considerable attention as sites of abiotic organic synthesis and as habitats for the earliest microbial communities. Here, we report a systematic isotopic study of a new serpentinite-hosted system: the Hakuba Happo hot spring in the Shiroumadake area, Japan (36°42‧N, 137°48‧E). We collected water directly from the hot spring from two drilling wells more than 500 m deep; all water samples were strongly alkaline (pH>10) and rich in H2 (201-664 μmol/L) and CH4 (124-201 μmol/L). Despite the relatively low temperatures (50-60 °C), thermodynamic calculations suggest that the H2 was likely derived from serpentinization reactions. Hydrogen isotope compositions for Happo #1 (Happo #3) were found to be as follows: δD-H2=-700‰ (-710‰), δD-CH4=-210‰ (-300‰), and δD-H2O=-85‰ (-84‰). The carbon isotope compositions of methane from Happo #1 and #3 were found to be δC13=-34.5‰ and -33.9‰, respectively. The CH4-H2-H2O hydrogen isotope systematics indicate that at least two different mechanisms were responsible for methane formation. Happo #1 has a similar hydrogen isotope compositions to other serpentinite-hosted systems reported previously. The elevated δD-CH4 (with respect to the equilibrium relationship) suggests that the hydrogen of the Happo #1 methane was not sourced from molecular hydrogen but was derived directly from water. This implies that the methane may not have been produced via the Fischer-Tropsch-type (FTT) synthesis but possibly by the hydration of olivine. Conversely, the depleted δD-CH4 (with respect to the equilibrium relationship) in Happo #3 suggests the incorporation of biological methane. Based on a comparison of the hydrogen isotope systematics of our results with those of other serpentinite-hosted hydrothermal systems, we suggest that abiotic CH4 production directly from H2O (without mediation by H2) may be more common in serpentinite-hosted systems. Hydration of olivine

  12. Precision measurements of {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He total cross sections at Big Bang nucleosynthesis energies

    SciTech Connect

    Leonard, D.S.; Karwowski, H.J.; Brune, C.R.; Fisher, B.M.; Ludwig, E.J.

    2006-04-15

    Recent Wilkinson Microwave Anisotropy Probe (WMAP) measurements have determined the baryon density of the Universe {omega}{sub b} with a precision of about 4%. With {omega}{sub b} tightly constrained, comparisons of Big Bang nucleosynthesis (BBN) abundance predictions to primordial abundance observations can be made and used to test BBN models and/or to further constrain abundances of isotopes with weak observational limits. To push the limits and improve constraints on BBN models, uncertainties in key nuclear reaction rates must be minimized. To this end, we made new precise measurements of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He total cross sections at lab energies from 110 to 650 keV. A complete fit was performed in energy and angle to both angular distribution and normalization data for both reactions simultaneously. By including parameters for experimental variables in the fit, error correlations between detectors, reactions, and reaction energies were accurately tabulated by computational methods. With uncertainties around 2%{+-}1% scale error, these new measurements significantly improve on the existing data set. At relevant temperatures, by using the data of the present work, both reaction rates are found to be about 7% higher than those in the widely used NACRE (nuclear astrophysics compilation of reaction rates) database. These data will thus lead not only to reduced uncertainties, but also to modifications in the BBN abundance predictions.

  13. Microwave Plasma-Activated Chemical Vapor Deposition of Nitrogen-Doped Diamond. I. N2/H2 and NH3/H2 Plasmas.

    PubMed

    Truscott, Benjamin S; Kelly, Mark W; Potter, Katie J; Johnson, Mack; Ashfold, Michael N R; Mankelevich, Yuri A

    2015-12-31

    We report a combined experimental/modeling study of microwave activated dilute N2/H2 and NH3/H2 plasmas as a precursor to diagnosis of the CH4/N2/H2 plasmas used for the chemical vapor deposition (CVD) of N-doped diamond. Absolute column densities of H(n = 2) atoms and NH(X(3)Σ(-), v = 0) radicals have been determined by cavity ring down spectroscopy, as a function of height (z) above a molybdenum substrate and of the plasma process conditions, i.e., total gas pressure p, input power P, and the nitrogen/hydrogen atom ratio in the source gas. Optical emission spectroscopy has been used to investigate variations in the relative number densities of H(n = 3) atoms, NH(A(3)Π) radicals, and N2(C(3)Πu) molecules as functions of the same process conditions. These experimental data are complemented by 2-D (r, z) coupled kinetic and transport modeling for the same process conditions, which consider variations in both the overall chemistry and plasma parameters, including the electron (Te) and gas (T) temperatures, the electron density (ne), and the plasma power density (Q). Comparisons between experiment and theory allow refinement of prior understanding of N/H plasma-chemical reactivity, and its variation with process conditions and with location within the CVD reactor, and serve to highlight the essential role of metastable N2(A(3)Σ(+)u) molecules (formed by electron impact excitation) and their hitherto underappreciated reactivity with H atoms, in converting N2 process gas into reactive NHx (x = 0-3) radical species. PMID:26593853

  14. Synthesis, cytotoxic activity, and tubulin polymerization inhibitory activity of new pyrrol-2(3H)-ones and pyridazin-3(2H)-ones.

    PubMed

    Abbas, Samar Hafez; Abuo-Rahma, Gamal El-Din A A; Abdel-Aziz, Mohamed; Aly, Omar M; Beshr, Eman A; Gamal-Eldeen, Amira M

    2016-06-01

    A series of new pyrrol-2(3H)-ones 4a-f and pyridazin-3(2H)-ones 7a-f were synthesized and characterized using different spectroscopic tools. Some of the tested compounds revealed moderate activity against 60 cell lines. The E form of the pyrrolones 4 showed good cytotoxic activity than both the Z form and the corresponding open amide form. Furthermore, the in vitro cytotoxic activity against HepG2 and MCF-7 cell lines revealed that compounds (E)4b, 6f and 7f showed good cytotoxic activity against HepG2 with IC50 values of 11.47, 7.11 and 14.80μM, respectively. Compounds (E)4b, 6f, 7d and 7f showed a pronounced inhibitory effect against cellular localization of tubulin. Flow cytometric analysis indicated that HepG2 cells treated with (E)4b showed a predominated growth arrest at the S-phase compared to that of G2/M-phase. Molecular modeling study using MOE® program indicated that most of the target compounds showed good binding of β-subunit of tubulin with the binding free energy (dG) values about -10kcal/mole.

  15. Preparation of sup 2 H- and sup 3 H-labeled phaseic acid and dihydrophaseic acid as standards for determination of abscisic acid metabolites in tomato fruit

    SciTech Connect

    Kubik, M.; Buta, J.G. )

    1990-05-01

    There have been reports that the level of abscisic acid (ABA) increases during the cold storage of tomatoes. However, the important ABA metabolites, phaseic acid (PA) and dihydrophaseic acid (DPA) were never quantitatively determined in such a system. In order to obtain the labeled standards for quantitative determination of those compounds by GC-MS-SIM, we fed bean plants with 6,6,6-({sup 2}H{sub 3})-ABA (mean isotopic enrichment 60%) with addition of about 10{sup 5} Bq per mg of ({sup 3}H)-ABA. After 100 hours the plants were harvested and extracted with acetone. The extract were purified by solvent partitioning and, Prep-Sep amino column and on an HPLC C{sub 18} reverse phase column. Two major radioactive metabolites of ABA were obtained and identified by GC-MS as PA and DPA. Some results on the quantitation of ABA, PA and DPA in tomato fruit after cold storage will be presented.

  16. Solvation effects on reactive intermediates: The benzyl radical and its clusters with Ar, N2, CH4, C2H6, and C3H8

    NASA Astrophysics Data System (ADS)

    Disselkamp, R.; Bernstein, E. R.

    1993-03-01

    Mass resolved excitation spectra are presented for the benzyl radical and its clusters with Ar, N2, CH4, C2H6, and C3H8. The cluster spectra exhibit small redshifts (≤50 cm-1) relative to the unclustered benzyl radical for the D1(1 2A2)←D0(1 2B2) and D2(2 2B2)←D0(1 2B2) electronic transition regions. A unique set of low energy van der Waals modes is observed for these clusters for each excited electronic state investigated. The cluster spectra also reveal significant vibronic coupling between the two excited electronic states of the benzyl radical, as evidenced by a single vibrational predissociation threshold for each cluster. Ab initio calculations are performed on the benzyl radical to examine excited electronic state structure, predict transition energies, estimate ionization energy, and determine partial atomic charges in the electronic states of interest. The resulting partial charges are used in empirical atom-atom potential energy calculations to aid in the understanding of cluster spectroscopic shifts, binding energies, and van der Waals modes.

  17. Down-regulation of p-coumaroyl quinate/shikimate 3'-hydroxylase (C3'H) and cinnamate 4-hydroxylase (C4H) genes in the lignin biosynthetic pathway of Eucalyptus urophylla x E. grandis leads to improved sugar release

    DOE PAGES

    Sykes, Robert W.; Gjersing, Erica L.; Foutz, Kirk; Rottmann, William H.; Kuhn, Sean A.; Foster, Cliff E.; Ziebell, Angela; Turner, Geoffrey B.; Decker, Stephen R.; Hinchee, Maud A. W.; et al

    2015-08-27

    In this study, lignocellulosic materials provide an attractive replacement for food-based crops used to produce ethanol. Understanding the interactions within the cell wall is vital to overcome the highly recalcitrant nature of biomass. One factor imparting plant cell wall recalcitrance is lignin, which can be manipulated by making changes in the lignin biosynthetic pathway. In this study, eucalyptus down-regulated in expression of cinnamate 4-hydroxylase (C4H, EC 1.14.13.11) or p-coumaroyl quinate/shikimate 3'-hydroxylase (C3'H, EC 1.14.13.36) were evaluated for cell wall composition and reduced recalcitrance.

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

    SciTech Connect

    Huang, Zheng; Lü, Tie-Yu; Wang, Hui-Qiong; Zheng, Jin-Cheng

    2015-09-15

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

  19. REACTIONS FORMING C{sub n=2,10}{sup (0,+)}, C{sub n=2,4}H{sup (0,+)}, AND C{sub 3}H{sub 2}{sup (0,+)} IN THE GAS PHASE: SEMIEMPIRICAL BRANCHING RATIOS

    SciTech Connect

    Chabot, M.; Jallat, A.; Beroff, K.; Gratier, P.; Wakelam, V.

    2013-07-10

    The aim of this paper is to provide a new set of branching ratios (BRs) for interstellar and planetary chemical networks based on a semiempirical model. We applied, instead of zero-order theory (i.e., only the most exoergic decaying channel is considered), a statistical microcanonical model based on the construction of breakdown curves and using experimental high velocity collision BRs for their parameterization. We applied the model to ion-molecule, neutral-neutral, and ion-pair reactions implemented in the few popular databases for astrochemistry, such as KIDA, OSU, and UMIST. We studied the reactions of carbon and hydrocarbon species with electrons, He{sup +}, H{sup +}, CH{sup +}, CH, C, and C{sup +} leading to intermediate complexes of the type C{sub n=2,10}, C{sub n=2,4}H, C{sub 3}H{sub 2}, C{sub n=2,10}{sup +}, C{sub n=2,4}H{sup +}, or C{sub 3}H{sub 2}{sup +}. Comparison of predictions with measurements supports the validity of the model. Huge deviations with respect to database values are often obtained. Effects of the new BRs in time-dependent chemistry for dark clouds and for photodissociation region chemistry with conditions similar to those found in the Horsehead Nebula are discussed.

  20. Results from Boiling Temperature Measurements for Saturated Solutions in the Systems NaCl + Ca(NO3)2 + H2O, NaNO3 + KNO3 + H2O, and NaCl + KNO3 + H2O, and Dry Out Temperatures for NaCl + NaNO3 + KNO3 + Ca(NO3)2 + H2O

    SciTech Connect

    Rard, J A

    2005-11-29

    Boiling temperature measurements have been made for saturated ternary solutions of NaCl + KNO{sub 3} + H{sub 2}O and NaNO{sub 3} + KNO{sub 3} + H{sub 2}O at three selected salt ratios and for NaCl + Ca(NO{sub 3}){sub 2} + H{sub 2}O over the full composition range. The maximum boiling temperature found for the NaCl + Ca(NO{sub 3}){sub 2} + H{sub 2}O system is 164.7 {+-} 0.6 C, and the composition is estimated to occur at x(Ca(NO{sub 3}){sub 2}) {approx} 0.25. Experiments were also performed for the five component NaCl + NaNO{sub 3} + KNO{sub 3} + Ca(NO{sub 3}){sub 2} + H{sub 2}O mixtures with the molar ratio of NaCl:NaNO{sub 3}:KNO{sub 3} held essentially constant at 1:0.9780:1.1468 as the solute mole fraction of Ca(NO{sub 3}){sub 2}, x(Ca(NO{sub 3}){sub 2}), was varied between 0 and 0.25. The NaCl + NaNO{sub 3} + KNO{sub 3} + Ca(NO{sub 3}){sub 2} + H{sub 2}O system forms low melting mixtures and thus boiling temperatures for saturated were not determined. Instead, the temperatures corresponding to the cessation of boiling (i.e., dry out temperatures) of these liquid mixtures were determined. These dry out temperatures range from {approx} 300 C when x(Ca(NO{sub 3}){sub 2}) = 0 to {ge} 400 C when x(Ca(NO{sub 3}){sub 2}) = 0.20 and 0.25. The investigated mixture compositions correspond to some of the major mineral assemblages that are predicted to control the deliquescence relative humidity of salts formed by leaching dust samples from the proposed nuclear repository at Yucca Mountain, Nevada.

  1. Method for determination of {sup 18}O/{sup 16}O and {sup 2}H/{sup 1}H ratios and {sup 3}H (tritium) concentrations of xylem waters and subsurface waters using time-series sampling

    SciTech Connect

    1999-11-09

    This application describes a method for the determination of {sup 18}O/{sup 16}O and {sup 2}H/{sup 1}H ratios and {sup 3}H concentrations of xylem and subsurface waters using time-series sampling, insulating sampling chambers, and combined {sup 18}O/{sup 16}O, {sup 2}H/{sup 1}H and {sup 3}H concentration data on transpired water. The method involves collecting water samples transpired from living plants and correcting the measured isotopic compositions of oxygen ({sup 18}O/{sup 16}O) and hydrogen ({sup 2}H/{sup 1}H and/or {sup 3}H concentrations) to account for evaporative isotopic fractionation in the leafy material of the plant.

  2. Method for determination of .sup.18 O/.sup.16 O and .sup.2 H/.sup.1 H ratios and .sup.3 H (tritium) concentrations of xylem waters and subsurface waters using time series sampling

    DOEpatents

    Smith, Brian; Menchaca, Leticia

    1999-01-01

    A method for determination of .sup.18 O/.sup.16 O and .sup.2 H/.sup.1 H ratios and .sup.3 H concentrations of xylem and subsurface waters using time series sampling, insulating sampling chambers, and combined .sup.18 O/.sup.16 O, .sup.2 H/.sup.1 H and .sup.3 H concentration data on transpired water. The method involves collecting water samples transpired from living plants and correcting the measured isotopic compositions of oxygen (.sup.18 O/.sup.16 O) and hydrogen (.sup.2 H/.sup.1 H and/or .sup.3 H concentrations) to account for evaporative isotopic fractionation in the leafy material of the plant.

  3. Cometary implications of the internal energy distributions of the C2 and C3 radicals produced in the photolysis of the C2H and C3H2

    NASA Technical Reports Server (NTRS)

    Jackson, William M.; Bao, Yihan; Urdahl, Randall S.; Song, Xueyu; Gosine, Jai; Luu, Chi

    1991-01-01

    The C2 and C3 radicals are prominent emission in the visible region of cometary spectra. Observational evidence exists that suggests these radicals are formed as granddaughter fragments in the photolysis of more stable molecules. Likely candidates for these parent molecules ar C2H2, C3H4 (allene), and CH3C2H (propyne). Recent laboratory studies were performed on all of these parent molecules and they indicate that they can indeed produce the observed cometary radicals. In the case of C2H2, the laboratory evidence suggest that C2 is formed via the following mechanisms: (1) C2H2 + photon(193 nm) yields C2H + H; and (2) C2H + photon(193 nm) yields C2 + H. Evidence is presented to show that the C2 radical produced in the second reaction occurs in a variety of electronic, vibrational, and rotational states. It is argued that this is a result of conical intersections in the potential energy curves and the density of states associated with these curves. Since this is a property of the C2H radical similar initial product state distributions are expected to occur in comets. This means that any models of the C2 emission may have to start off with rotationally excited C2 radicals in both the singlet and the triplet manifolds. When C3H4 (allene) and CH3C2H (propyne) were photolyzed, the C3 radical is formed. In the allene case, laboratory evidence shows that the C3 radical is formed via the following mechanism: (1) C3H4 + photon(193 nm) yields C3H2 + H2; and (2) C3H2 + photon(193 nm) yields C3 + H2. More C3 is formed in the case of allene than in the propyne case, even though the absorption cross section for propyne is a factor of 2 larger. This suggests that competing dissociation pathways are present during the photolysis of propyne that are not available to allene. The observed quantum state distributions of the C3 product were the same for both parent molecules, indicating that the same intermediate state is involved. These observations can be understood if the excited

  4. Effect of non-magnetic organic cation (A) on the magnetic properties of ANi II[Fe III(ox) 3], A= N(n- C4H9) 4+ and N( n-C 3H 7) 4+

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, A.

    1999-08-01

    The effect of the non-magnetic organic cation A on the magnetic properties of molecule based material ANi II[Fe III(ox) 3] with A= N(n- C4H9) 4+ and N( n-C 3H 7) 4+ has been measured in the temperature range of 5-300 K under different conditions. The compounds are ferrimagnetic with T N=28 and 25 K, respectively. Spin-glass-like states have been observed below TN. The MZFC( T) and MFC( T) plots branch out at Tbranch and this branching, represented by a power law, is highly magnetic field dependent. The non-magnetic cation A plays an important role in determining the magnetic exchange interaction and the disordered states below TN.

  5. Seasonal evolution of C2N2, C3H4, and C4H2 in Titan's lower stratosphere, inferred from Cassini/CIRS far-IR observations

    NASA Astrophysics Data System (ADS)

    Sylvestre, Melody; Teanby, Nicholas A.; Vinatier, Sandrine; Irwin, Patrick Gerard Joseph

    2016-10-01

    Due to its obliquity (26.7°), Titan's atmosphere undergoes significant seasonal variations of insolation, which are expected to affect significantly its photochemistry and large-scale dynamics. The duration of the Cassini mission enables us to monitor these changes and to better understand the atmospheric processes at play.Here, we study the seasonal evolution of the composition of Titan's lower stratosphere (10 mbar). We analyse nadir and limb high resolution (0.5 cm-1) spectra from Cassini/CIRS (Composite InfraRed Spectrometer) in the far infrared (200-400 cm-1), in order to retrieve the abundances of three photochemical species: C2N2 (cyanogen), C4H2 (diacetylene), and C3H4 (methylacetylene). These data span all the latitudes and were acquired from 2004 to 2015. Consequently, they provide a good overview of the seasonal evolution of the meridional distributions of C2N2, C4H2, and C3H4, from northern winter to mid-spring. For instance, these measurements show a strong enrichment in these three species at the South pole in the lower stratosphere, consistent with previous observations (Coustenis et al., 2016 ; Vinatier et al., 2015 ; Teanby et al., 2012). In contrast, other latitudes present much less variations in the mixing ratios of these gases, especially at the North Pole. These vertical and meridional abundances profiles and their comparison with previous studies provide constraints on the photochemical processes in Titan's atmosphere. We also use these measurements to monitor the seasonal evolution of atmospheric circulation in the lower stratosphere.

  6. Fast Switching of CO3(-)(H2O)n and O2(-)(H2O)n reactant ions in dopant-assisted negative photoionization ion mobility spectrometry for explosives detection.

    PubMed

    Cheng, Shasha; Wang, Weiguo; Zhou, Qinghua; Chen, Chuang; Peng, Liying; Hua, Lei; Li, Yang; Hou, Keyong; Li, Haiyang

    2014-03-01

    Ion mobility spectrometry (IMS) has become the most deployed technique for on-site detection of trace explosives, and the reactant ions generated in the ionization source are tightly related to the performances of IMS. Combination of multiform reactant ions would provide more information and is in favor of correct identification of explosives. Fast switchable CO3(-)(H2O)n and O2(-)(H2O)n reactant ions were realized in a dopant-assisted negative photoionization ion mobility spectrometer (DANP-IMS). The switching could be achieved in less than 2 s by simply changing the gas flow direction. Up to 88% of the total reactant ions were CO3(-)(H2O)n in the bidirectional mode, and 89% of that were O2(-)(H2O)n in the unidirectional mode. The characteristics of combination of CO3(-)(H2O)n and O2(-)(H2O)n were demonstrated by the detection of explosives, including 2,4,6-trinitrotoluene (TNT), cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX), ammonium nitrate fuel oil (ANFO), and black powder (BP). For TNT, RDX, and BP, product ions with different reduced mobility values (K0) were observed with CO3(-)(H2O)n and O2(-)(H2O)n, respectively, which is a benefit for the accurate identification. For ANFO, the same product ions with K0 of 2.07 cm(2) V(-1) s(-1) were generated, but improved peak-to-peak resolution as well as sensitivity were achieved with CO3(-)(H2O)n. Moreover, an improved peak-to-peak resolution was also obtained for BP with CO3(-)(H2O)n, while the better sensitivity was obtained with O2(-)(H2O)n.

  7. Hydrothermal synthesis and structural characterization of a family of lanthanide tartrates: [Ln 2(C 4H 4O 6) 3(H 2O) 3]·1.5H 2O (Ln = La, Ce, Pr, Nd, Sm)

    NASA Astrophysics Data System (ADS)

    Athar, Muhammad; Li, Guanghua; Shi, Zhan; Chen, Yan; Feng, Shouhua

    2008-12-01

    Coordination polymers containing lanthanides with tartaric acid [Ln 2(C 4H 4O 6) 3(H 2O) 3]·1.5H 2O (Ln = La, Ce, Pr, Nd, Sm and C 4H 4O 6 = D(-) or L(+) tartrate anion) have been synthesized using hydrothermal techniques and characterized by single crystal X-ray diffraction. The compounds are all isotypic with a monoclinic crystal system in the P2 1/ n space group. The asymmetric units of coordination polymers contain two metal centers having different coordination environments. One metal is bonded to four tartrate groups having three D and one L isomers (or three L and one D isomers), whereas the other metal is bonded to five tartrate groups having two D and three L isomers (or two L and three D isomers). Each trivalent metal center is coordinated to nine oxygen atoms that originate from carboxylate and hydroxyl groups of the tartrate anions and water molecules. These new polymers have three-dimensional structures containing open channels that are occupied by non-coordinating water molecules. Thermogravimetric and differential thermal analyses and adsorption of nitrogen have also been studied for these compounds.

  8. 21 CFR 73.3123 - 6-Ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene) benzo[b]thiophen-3 (2H)-one.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ..., DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Medical Devices § 73.3123 6-Ethoxy-2-(6-ethoxy-3-oxobenzo thien-2(3H)-ylidene) benzo thiophen-3 (2H)-one....

  9. 21 CFR 73.3123 - 6-Ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene) benzo[b]thiophen-3 (2H)-one.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ..., DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Medical Devices § 73.3123 6-Ethoxy-2-(6-ethoxy-3-oxobenzo thien-2(3H)-ylidene) benzo thiophen-3 (2H)-one....

  10. 21 CFR 73.3123 - 6-Ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene) benzo[b]thiophen-3 (2H)-one.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false 6-Ethoxy-2-(6-ethoxy-3-oxobenzo thien-2(3H)-ylidene) benzo thiophen-3 (2H)-one. 73.3123 Section 73.3123 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION...

  11. Synthesis, resolution and anticonvulsant activity of chiral N-1'-ethyl,N-3'-(1-phenylethyl)-(R,S)-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-trione diastereomers.

    PubMed

    Sadarangani, Ishwar R; Bhatia, Souful; Amarante, Daniel; Lengyel, Istvan; Stephani, Ralph A

    2012-04-01

    Four new N-1',N-3'-disubstituted-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-triones bearing a chiral N-3' substituent were synthesized, resolved and their anticonvulsant activity was obtained and determined that the activity was not stereoselective. PMID:22401865

  12. Syntheses of 24R,25-dihydroxy-(6,19,19-3H)vitamin D3 and 24R,25-dihydroxy-(6,19,19-2H)vitamin D3

    SciTech Connect

    Yamada, S.; Shimizu, M.; Fukushima, K.; Niimura, K.; Maeda, Y. )

    1989-08-01

    24R,25-Dihydroxy-(6,19,19-3H)vitamin D3 with a specific activity of 54 Ci/mmol and 24R,25-dihydroxy-(6,19,19-2H)vitamin D3 with 2.6 deuterium atoms/mol were synthesized in four steps starting from 24R,25-Dihydroxyvitamin D3 via its sulfur dioxide adduct.

  13. Synthesis, resolution and anticonvulsant activity of chiral N-1'-ethyl,N-3'-(1-phenylethyl)-(R,S)-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-trione diastereomers.

    PubMed

    Sadarangani, Ishwar R; Bhatia, Souful; Amarante, Daniel; Lengyel, Istvan; Stephani, Ralph A

    2012-04-01

    Four new N-1',N-3'-disubstituted-2'H,3H,5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-triones bearing a chiral N-3' substituent were synthesized, resolved and their anticonvulsant activity was obtained and determined that the activity was not stereoselective.

  14. Measurements of the Differential Cross Sections for the Elastic n-{sup 3}H and n-{sup 2}H Scattering at 14.1 MeV by Using an Inertial Confinement Fusion Facility

    SciTech Connect

    Frenje, J. A.; Li, C. K.; Seguin, F. H.; Casey, D. T.; Petrasso, R. D.; McNabb, D. P.; Navratil, P.; Quaglioni, S.; Sangster, T. C.; Glebov, V. Yu; Meyerhofer, D. D.

    2011-09-16

    For the first time the differential cross section for the elastic neutron-triton (n-{sup 3}H) and neutron-deuteron (n-{sup 2}H) scattering at 14.1 MeV has been measured by using an inertial confinement fusion facility. In these experiments, which were carried out by simultaneously measuring elastically scattered {sup 3}H and {sup 2}H ions from a deuterium-tritium gas-filled inertial confinement fusion capsule implosion, the differential cross section for the elastic n-{sup 3}H scattering was obtained with significantly higher accuracy than achieved in previous accelerator experiments. The results compare well with calculations that combine the resonating-group method with an ab initio no-core shell model, which demonstrate that recent advances in ab initio theory can provide an accurate description of light-ion reactions.

  15. Crystal structures of Sr(ClO4)2·3H2O, Sr(ClO4)2·4H2O and Sr(ClO4)2·9H2O.

    PubMed

    Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang

    2014-12-01

    The title compounds, strontium perchlorate trihydrate {di-μ-aqua-aquadi-μ-perchlorato-strontium, [Sr(ClO4)2(H2O)3] n }, strontium perchlorate tetra-hydrate {di-μ-aqua-bis-(tri-aqua-diperchloratostrontium), [Sr2(ClO4)4(H2O)8]} and strontium perchlorate nona-hydrate {hepta-aqua-diperchloratostrontium dihydrate, [Sr(ClO4)2(H2O)7]·2H2O}, were crystallized at low temperatures according to the solid-liquid phase diagram. The structures of the tri- and tetra-hydrate consist of Sr(2+) cations coordinated by five water mol-ecules and four O atoms of four perchlorate tetra-hedra in a distorted tricapped trigonal-prismatic coordination mode. The asymmetric unit of the trihydrate contains two formula units. Two [SrO9] polyhedra in the trihydrate are connected by sharing water mol-ecules and thus forming chains parallel to [100]. In the tetra-hydrate, dimers of two [SrO9] polyhedra connected by two sharing water mol-ecules are formed. The structure of the nona-hydrate contains one Sr(2+) cation coordinated by seven water mol-ecules and by two O atoms of two perchlorate tetra-hedra (point group symmetry ..m), forming a tricapped trigonal prism (point group symmetry m2m). The structure contains additional non-coordinating water mol-ecules, which are located on twofold rotation axes. O-H⋯O hydrogen bonds between the water mol-ecules as donor and ClO4 tetra-hedra and water mol-ecules as acceptor groups lead to the formation of a three-dimensional network in each of the three structures.

  16. Formation of Polyynes C4H2, C6H2, C8H2, and C10H2 from Reactions of C2H, C4H, C6H, and C8H Radicals with C2H2.

    PubMed

    Sun, Yi-Lun; Huang, Wen-Jian; Lee, Shih-Huang

    2015-10-15

    Some of the polyynes (HC2n+2H, 1 ≤ n ≤ 4) are observable in planetary atmospheres, interstellar space, and flames. Polyynes are proposed to play an important role in synthesis of large carbonaceous molecules. We explore the dynamics of reactions of C2nH (n = 1-4) radicals with C2H2 by interrogating time-of-flight spectra and photoionization efficiency spectra of products C2n+2H2. The reactions of n = 2-4 were investigated for the first time. The translational energy release is biased to low energy but extends to the energetic limit of product HC2n+2H + H, corresponding to a fraction of 0.34-0.36 on translational energy. Product C2n+2H2 has a deconvoluted ionization threshold in good agreement with the ionization energy of polyynes. The quantum chemical calculations support the experimental observations. This work verifies that the title reaction is an important source for formation of polyynes that have been observed in interstellar/circumstellar media and combustion processes. PMID:26722787

  17. Experimentally determined standard thermodynamic properties of synthetic MgSO(4)·4H(2)O (Starkeyite) and MgSO(4)·3H(2)O: a revised internally consistent thermodynamic data set for magnesium sulfate hydrates.

    PubMed

    Grevel, Klaus-Dieter; Majzlan, Juraj; Benisek, Artur; Dachs, Edgar; Steiger, Michael; Fortes, A Dominic; Marler, Bernd

    2012-11-01

    The enthalpies of formation of synthetic MgSO(4)·4H(2)O (starkeyite) and MgSO(4)·3H(2)O were obtained by solution calorimetry at T=298.15 K. The resulting enthalpies of formation from the elements are [Formula: see text] (starkeyite)=-2498.7±1.1 kJ·mol(-1) and [Formula: see text] (MgSO(4)·3H(2)O)=-2210.3±1.3 kJ·mol(-1). The standard entropy of starkeyite was derived from low-temperature heat capacity measurements acquired with a physical property measurement system (PPMS) in the temperature range 5 K

  18. Effects of distortion of the intercluster motion in {sup 2}H, {sup 3}He, {sup 3}H, {sup 6}Li, and {sup 9}Be on Trojan horse applications

    SciTech Connect

    Pizzone, R. G.; Spitaleri, C.; La Cognata, M.; Lamia, L.; Romano, S.; Mukhamedzhanov, A. M.; Blokhintsev, L. D.; Bertulani, C. A.; Irgaziev, B. F.

    2009-08-15

    Deuteron induced quasifree scattering and reactions have been extensively investigated in the past few decades as well as {sup 6}Li, {sup 3}H, {sup 3}He, and {sup 9}Be induced reactions. This was done not only for the investigation of nuclear structure and reaction mechanisms but also for important astrophysical applications (Trojan horse method). In particular the widths of the spectator momentum distributions in several nuclei, which have been used as Trojan horses, have been obtained as a function of the transferred momentum. Applications of Trojan horse method will also be discussed because the momentum distribution of the spectator particle inside the nucleus is a important input for this method. This gives hints on distortion effects at low energies important for nuclear astrophysics.

  19. Infrared matrix isolation studies of hydrogen bonds involving C-H bonds: CF 3H, (CF 2H) 2O and CF 3OCF 2H with selected bases

    NASA Astrophysics Data System (ADS)

    Jeng, Mei-Lee H.; Ault, Bruce S.

    1991-06-01

    Hydrogen bonded complexes of fluoroform and fluoromethylethers with halide anions and amines have been isolated at 15 K in argon matrices and characterized by IR spectroscopy. The observed red shifts of the CH stretching mode were significantly less than for analogous alkyne complexes. For a given alkane, the magnitude of shifts for complexes with the halide anions were greater than complexes with neutral amines, consistent with the greater basicity of the halide anions. The perturbed and shifted CH bending mode and its overtone were also observed, as well as perturbations to the CF stretching and bending modes. The spectral evidence tentatively suggests a monodentate hydrogen bond for the (CF 2H) 2O•F - complex, rather than the bidentate structure inferred from ion cyclotron resonance data.

  20. New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site.

    PubMed

    Ghani, Usman; Ullah, Nisar

    2010-06-01

    A series of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides were tailored and synthesized as new potent inhibitors of tyrosinase. The rationale for inhibitor design was based on the active site structural evidence from the crystal structures of bacterial tyrosinase and potato catechol oxidase enzymes. Kinetic and active site binding studies suggested mono-dentate binding of thiadiazole, oxadiazole, and triazole rings to the active site dicopper center of tyrosinase including hydrophobicity contributing to the potent inhibition. Kinetic plots showed mixed-type of inhibition by all 25 compounds. Substitutions at C3 of the triazole ring and C5 of the thiadiazole/oxadiazole rings were found to be playing a major role in the high binding affinity to tyrosinase. The current work may help develop new potent tyrosinase inhibitors against hyperpigmentation including potential insecticides. PMID:20452224

  1. MOLECULAR SURVIVAL IN EVOLVED PLANETARY NEBULAE: DETECTION OF H{sub 2}CO, c-C{sub 3}H{sub 2}, AND C{sub 2}H IN THE HELIX

    SciTech Connect

    Tenenbaum, E. D.; Woolf, N. J.; Ziurys, L. M.; Milam, S. N. E-mail: nwoolf@as.arizona.ed E-mail: Stefanie.N.Milam@nasa.go

    2009-10-20

    H{sub 2}CO, c-C{sub 3}H{sub 2}, and C{sub 2}H have been identified in the neutral envelope of the highly evolved planetary nebula (PN), the Helix (also know as NGC 7293). Emission from these species were detected toward a peak position in CO, 372'' east of the central star, using the facilities of the Arizona Radio Observatory (ARO). C{sub 2}H and c-C{sub 3}H{sub 2} were identified on the basis of their 3 mm transitions, measured with the ARO 12 m, while five lines of H{sub 2}CO were observed using the 12 m at 2 and 3 mm and the ARO Submillimeter Telescope at 1 mm. From a radiative transfer analysis of the formaldehyde emission, the molecular material was determined to have a density of n(H{sub 2}) approx3 x 10{sup 5} cm{sup -3}, with a kinetic temperature of T {sub kin} approx20 K. Column densities for C{sub 2}H, H{sub 2}CO, and c-C{sub 3}H{sub 2} of N {sub tot} approx1.4 x 10{sup 13} cm{sup -2}, 1.1 x 10{sup 12} cm{sup -2}, and 3 x 10{sup 11} cm{sup -2}, respectively, were derived, corresponding to fractional abundances relative to H{sub 2} of f (H{sub 2}CO) = 1 x 10{sup -7}, f (c-C{sub 3}H{sub 2}) = 3 x 10{sup -8}, and f (C{sub 2}H) = 1 x 10{sup -6} {sub .} The physical conditions found support the notion that molecules in evolved PNe survive in dense clumps in pressure equilibrium, shielded from photodissociation. The presence of H{sub 2}CO, c-C{sub 3}H{sub 2}, and C{sub 2}H, along with the previously observed species CN, HNC, HCN, and HCO{sup +}, indicates that a relatively complex chemistry can occur in the late stages of PN evolution, despite potentially destructive ultraviolet radiation. These molecules have also been observed in diffuse clouds, suggesting a possible connection between molecular material in evolved PNe and the diffuse ISM.

  2. Gas-phase reactions of the bare Th2+ and U2+ ions with small alkanes, CH4, C2H6, and C3H8: experimental and theoretical study of elementary organoactinide chemistry.

    PubMed

    Di Santo, Emanuela; Santos, Marta; Michelini, Maria C; Marçalo, Joaquim; Russo, Nino; Gibson, John K

    2011-02-16

    The gas-phase reactions of two dipositive actinide ions, Th(2+) and U(2+), with CH(4), C(2)H(6), and C(3)H(8) were studied by both experiment and theory. Fourier transform ion cyclotron resonance mass spectrometry was employed to study the bimolecular ion-molecule reactions; the potential energy profiles (PEPs) for the reactions, both observed and nonobserved, were computed by density functional theory (DFT). The experiments revealed that Th(2+) reacts with all three alkanes, including CH(4) to produce ThCH(2)(2+), whereas U(2+) reacts with C(2)H(6) and C(3)H(8), with different product distributions than for Th(2+). The comparative reactivities of Th(2+) and U(2+) toward CH(4) are well explained by the computed PEPs. The PEPs for the reactions with C(2)H(6) effectively rationalize the observed reaction products, ThC(2)H(2)(2+) and UC(2)H(4)(2+). For C(3)H(8) several reaction products were experimentally observed; these and additional potential reaction pathways were computed. The DFT results for the reactions with C(3)H(8) are consistent with the observed reactions and the different products observed for Th(2+) and U(2+); however, several exothermic products which emerge from energetically favorable PEPs were not experimentally observed. The comparison between experiment and theory reveals that DFT can effectively exclude unfavorable reaction pathways, due to energetic barriers and/or endothermic products, and can predict energetic differences in similar reaction pathways for different ions. However, and not surprisingly, a simple evaluation of the PEP features is insufficient to reliably exclude energetically favorable pathways. The computed PEPs, which all proceed by insertion, were used to evaluate the relationship between the energetics of the bare Th(2+) and U(2+) ions and the energies for C-H and C-C activation. It was found that the computed energetics for insertion are entirely consistent with the empirical model which relates insertion efficiency to the

  3. Experimentally Determined Standard Thermodynamic Properties of Synthetic MgSO4·4H2O (Starkeyite) and MgSO4·3H2O: A Revised Internally Consistent Thermodynamic Data Set for Magnesium Sulfate Hydrates

    PubMed Central

    Majzlan, Juraj; Benisek, Artur; Dachs, Edgar; Steiger, Michael; Fortes, A. Dominic; Marler, Bernd

    2012-01-01

    Abstract The enthalpies of formation of synthetic MgSO4·4H2O (starkeyite) and MgSO4·3H2O were obtained by solution calorimetry at T=298.15 K. The resulting enthalpies of formation from the elements are \\documentclass{aastex}\\usepackage{amsbsy}\\usepackage{amsfonts}\\usepackage{amssymb}\\usepackage{bm}\\usepackage{mathrsfs}\\usepackage{pifont}\\usepackage{stmaryrd}\\usepackage{textcomp}\\usepackage{portland, xspace}\\usepackage{amsmath, amsxtra}\\pagestyle{empty}\\DeclareMathSizes{10}{9}{7}{6}\\begin{document}$$\\Delta_{ \\rm f}H^0_{298}$$\\end{document} (starkeyite)=−2498.7±1.1 kJ·mol−1 and \\documentclass{aastex}\\usepackage{amsbsy}\\usepackage{amsfonts}\\usepackage{amssymb}\\usepackage{bm}\\usepackage{mathrsfs}\\usepackage{pifont}\\usepackage{stmaryrd}\\usepackage{textcomp}\\usepackage{portland, xspace}\\usepackage{amsmath, amsxtra}\\pagestyle{empty}\\DeclareMathSizes{10}{9}{7}{6}\\begin{document}$$\\Delta_{ \\rm f}H^0_{298}$$\\end{document} (MgSO4·3H2O)=−2210.3±1.3 kJ·mol−1. The standard entropy of starkeyite was derived from low-temperature heat capacity measurements acquired with a physical property measurement system (PPMS) in the temperature range 5 K

  4. Vapor-Liquid Equilibrium in the Mixture 1,1,2,2-Tetrachloroethane C2H2Cl4 + C3H3N Propenenitrile (EVLM1211, LB5648_E)

    NASA Astrophysics Data System (ADS)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'vapor-Liquid Equilibrium in the Mixture 1,1,2,2-Tetrachloroethane C2H2Cl4 + C3H3N Propenenitrile (EVLM1211, LB5648_E)' providing data from direct measurement of temperature at variable mole fraction in liquid phase and constant pressure.

  5. Coordination Modes of Americium in the Am2(C2O4)3(H2O)6·4H2O Oxalate: Synthesis, Crystal Structure, Spectroscopic Characterizations and Comparison in the M2(C2O4)3(H2O)6·nH2O (M = Ln, An) Series.

    PubMed

    Tamain, C; Arab-Chapelet, B; Rivenet, M; Legoff, X F; Loubert, G; Grandjean, S; Abraham, F

    2016-01-01

    Americium oxalate single crystals, Am2(C2O4)3(H2O)6·4H2O, were prepared by in situ oxalic acid generation by slow hydrolysis of the diester. Their structure was determined by single-crystal X-ray diffraction and was solved by the direct methods and Fourier difference techniques. The structure (space group P21/c, a = 11.184(4) Å, b = 9.489(4) Å, c = 10.234(4) Å, β = 114.308(8)°, Z = 2) consists of layers formed by six-membered rings of actinide metals connected through oxalate ions. The americium atoms are nine-coordinated by six oxygen atoms from three bidentate oxalate ligands and three water molecules. The distances within the coordination sphere as well as infrared and Raman spectra of several isostructural lanthanide (Ce(III), Pr(III), Nd(III), Sm(III), Gd(III)) and actinide (Pu(III), Am(III)) oxalates were compared to evaluate the similarities and the differences between the two series. PMID:26675037

  6. 2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (DIMBOA) inhibits trichothecene production by Fusarium graminearum through suppression of Tri6 expression.

    PubMed

    Etzerodt, Thomas; Maeda, Kazuyuki; Nakajima, Yuichi; Laursen, Bente; Fomsgaard, Inge S; Kimura, Makoto

    2015-12-01

    Fusarium head blight (FHB) is a devastating disease of wheat (Triticum aestivum L.) caused by a mycotoxigenic fungus Fusarium graminearum resulting in significantly decreased yields and accumulation of toxic trichothecenes in grains. We tested 7 major secondary metabolites from wheat for their effect on trichothecene production in liquid cultures of F. graminearum producing trichothecene 15-acetyldeoxynivalenol (15-ADON). 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (DIMBOA) benzoxazinoid completely abolished toxin production without any apparent effect on fungal growth. DIMBOA strongly affected the expression of Tri6, encoding a major transcriptional regulator of several genes of the trichothecene biosynthesis pathway. DIMBOA also repressed expression of Tri5, encoding trichodiene synthase, the first enzyme in the trichothecene biosynthesis pathway. Thus, DIMBOA could play an important role against the accumulation of trichothecenes in wheat grain. Breeding or engineering of wheat with increased levels of benzoxazinoids could provide varieties with increased resistance against trichothecene contamination of grain and lower susceptibility to FHB.

  7. 2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (DIMBOA) inhibits trichothecene production by Fusarium graminearum through suppression of Tri6 expression.

    PubMed

    Etzerodt, Thomas; Maeda, Kazuyuki; Nakajima, Yuichi; Laursen, Bente; Fomsgaard, Inge S; Kimura, Makoto

    2015-12-01

    Fusarium head blight (FHB) is a devastating disease of wheat (Triticum aestivum L.) caused by a mycotoxigenic fungus Fusarium graminearum resulting in significantly decreased yields and accumulation of toxic trichothecenes in grains. We tested 7 major secondary metabolites from wheat for their effect on trichothecene production in liquid cultures of F. graminearum producing trichothecene 15-acetyldeoxynivalenol (15-ADON). 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one (DIMBOA) benzoxazinoid completely abolished toxin production without any apparent effect on fungal growth. DIMBOA strongly affected the expression of Tri6, encoding a major transcriptional regulator of several genes of the trichothecene biosynthesis pathway. DIMBOA also repressed expression of Tri5, encoding trichodiene synthase, the first enzyme in the trichothecene biosynthesis pathway. Thus, DIMBOA could play an important role against the accumulation of trichothecenes in wheat grain. Breeding or engineering of wheat with increased levels of benzoxazinoids could provide varieties with increased resistance against trichothecene contamination of grain and lower susceptibility to FHB. PMID:26276561

  8. Synthesis, characterization, single crystal X-ray structure, EPR and theoretical studies of a new hybrid inorganic-organic compound [Cu(Hdien)2(H2O)2](pnb)4·4H2O and its structural comparison with related [Cu(en)2(H2O)2](pnb)2

    NASA Astrophysics Data System (ADS)

    Kumar, Santosh; Sharma, Raj Pal; Venugopalan, Paloth; Witwicki, Maciej; Ferretti, Valeria

    2016-11-01

    A new hybrid inorganic-organic compound [Cu(Hdien)2(H2O)2](pnb)4·4H2O (1) (where pnb = p-nitrobenzoate), in which the tridentate ligand diethylenetriamine (dien) shows an unusual coordination behavior acting as a bidentate ligand when present in its monoprotonated form (Hdien+) has been synthesized by the reaction of copper(II) p-nitrobenzoate and slight excess of dien in methanol-water mixture (4:1v/v). Re-crystallization of the violet precipitated product from hot water gave single crystals suitable for X-ray diffraction studies. The newly synthesized compound 1 has been characterized by spectroscopic techniques (UV-Vis, FT-IR, EPR), and theoretical methods (DFT and MRCI/SORCI). Single crystal X-ray structure determination revealed the existence of the cationic species [Cu(Hdien)2(H2O)2]4+, four p-nitrobenzoate as counter anions and four water molecules are present as solvent of crystallization. Packing analyses of title compound as well as of the structurally similar [Cu(en)2(H2O)2](pnb)2,2 has shown similarities in the crystalline architecture that both hybrid inorganic-organic compounds is stabilized by various non-covalent interactions such as N-H⋯O, C-H⋯O, O-H⋯O etc.

  9. Monitoring dehydration of the organic-inorganic [(C3H7)4N][SnCl5(H2O)]·2H2O compound using simultaneous thermal and Raman studies

    NASA Astrophysics Data System (ADS)

    Hajlaoui, S.; Chaabane, I.; Guidara, K.; Bulou, A.

    2016-07-01

    In this work we report the experimental studies of the structural phase transition in the [(C3H7)4N]SnCl5(H2O)]·2H2O compound by differential scanning calorimetric (DSC) and Raman spectroscopic. The X-ray powder diffraction study of the [(C3H7)4N][SnCl5(H2O)]·2H2O sample at room temperature showed that this compound is monoclinic and has P121/c1 space group. Differential scanning calorimetric disclosed two types of phase transitions in the temperature range 356-376 (T1) K and at 393 K (T2) characterized, by a loss of water molecules and probably a reconstruction of new anionic parts after T2 transition. The Raman scattering spectra recorded at various temperatures in the wavenumber range from 100 to 3800 cm- 1 covering the domains of existence of changes in the vicinity of the two phase transitions detected by DSC measurement. A detailed study of the spectral parameters (wave number, reduced intensity and the full width at half maximum) as a function of temperature of a chosen band, associated with (νs(Snsbnd O) + νs(Snsbnd Cl)), based on an order-disorder model allowed us to obtain information relative to the activation energy and correlation length.

  10. Study of the tau- ---> pi- pi- pi+ pi0 pi0 nu/tau and tau- --> 3h- 2h+ nu/tau Decays Using the BaBar Detector

    SciTech Connect

    Sobie, R.; /Victoria U.

    2005-06-21

    The {tau}{sup -} {yields} {pi}{sup -}{pi}{sup -}{pi}{sup +}{pi}{sup 0}{pi}{sup 0}{nu}{sub {tau}} and {tau}{sup -} {yields} 3h{sup -} 2h{sup +} {nu}{sub {tau}} decays have been studied using the BABAR experiment at the PEP-II e{sup +}e{sup -} storage ring. Preliminary branching fractions are given for the {tau}{sup -} {yields} {pi}{sup -}{pi}{sup -}{pi}{sup +}{pi}{sup 0}{pi}{sup 0}{nu}{sub {tau}} and to the sub-channels {tau}{sup -} {yields} {eta}{pi}{sup -} {pi}{sup 0}{nu}{sub {tau}} and {tau}{sup -} {yields} {omega}(782){pi}{sup -}{pi}{sup 0}{nu}{sub {tau}}. A preliminary upper limit is given on the branching fraction for the {phi}(1020){pi}{sup -}{pi}{sup 0}{nu}{sub {tau}} mode. In addition a preliminary measurement of the branching fraction of the {tau}{sup -} {yields} 3h{sup -}2h{sup +} {nu}{sub {tau}} decay (h = {pi}, K) is presented.

  11. On the Formation and Isomer Specific Detection of Propenal (C2H3CHO) and Cyclopropanone (c-C3H4O) in Interstellar Model Ices - A Combined FTIR and Reflectron Time-of-Flight Mass Spectroscopic Study

    NASA Astrophysics Data System (ADS)

    Abplanalp, Matthew J.; Borsuk, Aleca; Jones, Brant M.; Kaiser, Ralf I.

    2015-11-01

    The formation routes of two structural isomers—propenal (C2H3CHO) and cyclopropanone (c-C3H4O)—were investigated experimentally by exposing ices of astrophysical interest to energetic electrons at 5.5 K thus mimicking the interaction of ionizing radiation with interstellar ices in cold molecular clouds. The radiation-induced processing of these ices was monitored online and in situ via Fourier Transform Infrared spectroscopy and via temperature programmed desorption exploiting highly sensitive reflectron time-of-flight mass spectrometry coupled with single photon ionization in the post irradiation phase. To selectively probe which isomer(s) is/are formed, the photoionization experiments were conducted with 10.49 and 9.60 eV photons. Our studies provided compelling evidence on the formation of both isomers—propenal (C2H3CHO) and cyclopropanone (c-C3H4O)—in ethylene (C2H4)—carbon monoxide (CO) ices forming propenal and cyclopropanone at a ratio of (4.5 ± 0.9):1. Based on the extracted reaction pathways, the cyclopropanone molecule can be classified as a tracer of a low temperature non-equilibrium chemistry within interstellar ices involving most likely excited triplet states, whereas propenal can be formed at ultralow temperatures, but also during the annealing phase via non-equilibrium as well as thermal chemistry (radical recombination). Since propenal has been detected in the interstellar medium and our laboratory experiments demonstrate that both isomers originated from identical precursor molecules our study predicts that the hitherto elusive second isomer—cyclopropanone—should also be observable toward those astronomical sources such as Sgr B2(N) in which propenal has been detected.

  12. Theoretical studies of the local structures and electron paramagnetic resonance parameters for Cu2+ center in Zn(C3H3O4)2(H2O)2 single crystal

    NASA Astrophysics Data System (ADS)

    Zhang, Hua-Ming; Xiao, Wen-Bo; Wan, Xiong

    2014-07-01

    The electron paramagnetic resonance (EPR) parameters (g factors gxx, gyy, gzz and hyperfine structure constants Axx, Ayy, Azz) are interpreted by taking account of the admixture of d-orbitals in the ground state wave function of the Cu2+ ion in a Zn(C3H3O4)2(H2O)2 (DABMZ) single crystal. Based on the calculation, local structural parameters of the impurity Cu2+ center were obtained (i.e. Ra≈1.92 Å, Rb≈1.96 Å, Rc≈1.99 Å). The theoretical EPR parameters based on the above Cu2+-O2- bond lengths in the DABMZ crystal show good agreement with the observed values and some improvements have been made as compared with those in the previous studies.

  13. Synthesis and structure of new light-resistant bactericide bis(nitrilotrismethylenephosphonato)diaquatetrasilver monohydrate {Ag4[NH(CH2PO3H)3]2(H2O)2} · H2O

    NASA Astrophysics Data System (ADS)

    Somov, N. V.; Chausov, F. F.

    2016-01-01

    A new four-core silver complex {Ag4[NH(CH2PO3H)3]2(H2O)2} · H2O has been synthesized and investigated. Its crystallographic characteristics are sp. gr. Pbar 1, Z = 1, a = 7.5806(2) Å, b = 8.4946(2) Å, c = 10.1092(3) Å, α = 81.087(2)°, β = 88.356(2)°, γ = 82.132(2)°. The ligand in the form of zwitterion is hexdentate. The complex is chelating; each silver atom closes an eight-membered cycle Ag-O-P-C-N-C-P-O. Simultaneously, two ligand molecules form six bridge bonds with neighboring formula units. Silver atoms form a polycyclic cluster Ag4O6, the configuration of which is stabilized by coordination and hydrogen bonds.

  14. ACE-FTS Observation of a Young Biomass Burning Plume: First Reported Measurements of C2H4, C3H6O, H2CO and PAN by Infrared Occultation from Space

    NASA Technical Reports Server (NTRS)

    Coheur, Pierre-Francois; Herbin, Herve; Clerbaux, Cathy; Hurtmans, Daniel; Wespes, Catherine; Carleer, Michel; Turquety, Solene; Rinsland, Curtis P.; Remedios, John; Hauglustaine, Didier; Boone, Chris D.; Bernath, Peter F.

    2007-01-01

    In the course of our study of the upper tropospheric composition with the infrared 35 Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE FTS), we 36 found an occultation sequence that on 8 October 2005, sampled a remarkable plume near the 37 east coast of Tanzania. Model simulations of the CO distribution in the Southern hemisphere 38 are performed for this period and they demonstrate that the emissions for this event originated 39 from a nearby forest fire, after which the plume was transported from the source region to the 40 upper troposphere. Taking advantage of the very high signal-to-noise ratio of the ACE FTS 41 spectra over a wide wavenumber range (750-4400 cm(exp -1), we present in-depth analyses of the 42 chemical composition of this plume in the middle and upper troposphere, focusing on the 43 measurements of weakly absorbing pollutants. For this specific biomass burning event, we 44 report simultaneous observations of an unprecedented number of organic species. 45 Measurements of C2H4 (ethene), C3H4 (propyne), H2CO (formaldehyde), C3H6O (acetone) 46 and CH3COO2NO2 (perxoxyacetylnitrate, abbreviated as PAN) are the first reported 47 detections using infrared occultation spectroscopy from satellites. Based on the lifetime of the 48 emitted species, we discuss the photochemical age of the plume and also report, whenever 49 possible, the enhancement ratios relative to CO.

  15. Crystal-field energy level analysis for Nd(3+) ions at the low symmetry C(1) site in [Nd(hfa)(4)(H(2)O)](N(C(2)H(5))(4)) single crystals.

    PubMed

    Mech, Agnieszka; Gajek, Zbigniew; Karbowiak, Mirosław; Rudowicz, Czesław

    2008-09-24

    Optical absorption measurements of Nd(3+) ions in single crystals of [Nd(hfa)(4)(H(2)O)](N(C(2)H(5))(4)) (hfa = hexafluoroacetyloacetonate), denoted Nd(hfa) for short, have been carried out at 4.2 and 298 K. This compound crystallizes in the monoclinic system (space group P 2(1)/n). Each Nd ion is coordinated to eight oxygen atoms that originate from the hexafluoroacetylacetonate ligands and one oxygen atom from the water molecule. A total of 85 experimental crystal-field (CF) energy levels arising from the Nd(3+) (4f(3)) electronic configuration were identified in the optical spectra and assigned. A three-step CF analysis was carried out in terms of a parametric Hamiltonian for the actual C(1) symmetry at the Nd(3+) ion sites. In the first step, a total of 27 CF parameters (CFPs) in the Wybourne notation B(kq), admissible by group theory, were determined in a preliminary fitting constrained by the angular overlap model predictions. The resulting CFP set was reduced to 24 specific independent CFPs using appropriate standardization transformations. Optimizations of the second-rank CFPs and extended scanning of the parameter space were employed in the second step to improve reliability of the CFP sets, which is rather a difficult task in the case of no site symmetry. Finally, seven free-ion parameters and 24 CFPs were freely varied, yielding an rms deviation between the calculated energy levels and the 85 observed ones of 11.1 cm(-1). Our approach also allows prediction of the energy levels of Nd(3+) ions that are hidden in the spectral range overlapping with strong ligand absorption, which is essential for understanding the inter-ionic energy transfer. The orientation of the axis system associated with the fitted CF parameters w.r.t. the crystallographic axes is established. The procedure adopted in our calculations may be considered as a general framework for analysis of CF levels of lanthanide ions at low (triclinic) symmetry sites.

  16. (2RS,4'RS)-3'-(3-Chloro-4-meth-oxy-phen-yl)-4'-phenyl-4'H-spiro-[indene-2,5'-isoxazol]-1(3H)-one ethanol monosolvate.

    PubMed

    Boughaleb, Adil; Zouihri, Hafid; Gmouh, Said; Kerbal, Abdelali; El Yazidi, Mohamed

    2011-09-01

    The title compound, C(23)H(17)ClN(2)O(3)·C(2)H(6)O, is the stoichiometric 1:1 ethanol solvate of a racemic reaction product, which forms a conglomerate. The refined Flack parameter of 0.36 (3) indicates racemic twinning. In the structure, mol-ecules are linked into zigzag chains by a series of inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.

  17. Metal-containing ligands for mixed-metal polymers: novel Cu(II)-Ag(I) mixed-metal coordination polymers generated from [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O and silver(I) salts.

    PubMed

    Dong, Y B; Smith, M D; zur Loye, H C

    2000-05-01

    One Cu(II)-containing ligand and two Cu(II)-Ag(I) mixed-metal coordination polymers have been synthesized. [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O (1) was obtained as a molecular complex with two uncoordinated nitrogen donors by the reaction of 2-methylpyrazine-5-carboxylate sodium with CuCl(2).2H2O in water. Compound 1 crystallized in the triclinic space group P1, with a = 10.498(2) A, b = 11.000(2) A, c = 8.1424(16) A, alpha = 98.33(3) degrees, beta = 101.83(3) degrees, gamma = 66.68(3) degrees, and Z = 2. Reactions of 1 with silver(I) salts have been studied. Two Cu(II)-Ag(I) mixed-metal coordination polymers, namely, Ag[Cu(2-methylpyrazine-5-carboxylate)2.(H2O)2](BF4) (2) and Ag[Cu(2-methylpyrazine-5-carboxylate)2.(H2O)2](NO3) (3), have been generated by treating 1 with AgBF4 and AgNO3, respectively. Compound 2 crystallized in the monoclinic space group C2/c, with a = 25.827(5) A, b = 9.6430(19) A, c = 7.4525(15) A, beta = 94.74(3) degrees, and Z = 4. Compound 3 also crystallized in the monoclinic space group C2/c, with a = 25.855(5) A, b = 9.782(2) A, c = 7.1201(14) A, beta = 96.90(3) degrees, and Z = 4. The main structural feature in both 2 and 3 is a zigzag Cu(II)-Ag(I) mixed-metal chain, in which the alternating Cu(II) and Ag(I) centers are linked by 2-methylpyrazine-5-carboxylate spacers. The effect of the nitrate counterion was illustrated by compound 3, in which a novel [Ag+...NO3-] coordination chain has been found which acts as the connector to cross-link the one-dimensional zigzag chains into a three-dimensional network. In addition, an identical interchain O-H...O hydrogen bonding system has been found in both 2 and 3 and has been shown to play a significant role in directing the alignment of the one-dimensional mixed-metal polymer chains in the crystalline state. The magnetic susceptibilities of 2 and 3 were measured and found to follow the Curie law (mu eff = 1.85 for 2 and 1.83 for 3). PMID:11428114

  18. The ultraviolet photochemistry of diacetylene - Direct detection of primary products of the metastable C4H2* + C4H2 reaction

    NASA Technical Reports Server (NTRS)

    Bandy, Ralph E.; Lakshminarayan, Chitra; Frost, Rex K.; Zwier, Timothy S.

    1993-01-01

    The products of diacetylene's ultraviolet photochemistry over the 245-220 nm region were directly determined in experiments where C4H2 was excited within a small reaction tube attached to a pulsed nozzle. The products formed in the collisions of C4H2* with C4H2 were subsequently ionized by vacuum UV radiation (at 118 nm) in the ion source of a time-of-flight mass spectrometer. It was found that the reaction of C4H2* with C4H2 produces C6H2 (+C2H2), C8H2 (+2H,H2), and C8H3 (+H), confirming the results of Glicker and Okabe (1987). Under certain conditions, secondary products were observed. Mechanisms for the observed reactions are proposed.

  19. A photo-induced excited state structure of a hetero-bimetallic ionic pair complex, Nd(DMA)[subscript 4](H[subscript 2]O)[subscript 4]Fe(CN)[subscript 6]·3H[subscript 2]O, analyzed by single crystal X-ray diffraction

    SciTech Connect

    Svendsen, Helle; Overgaard, Jacob; Chen, Yu-Sheng; Iversen, Bo B.

    2012-02-07

    The excited state crystal structure of the ionic complex Nd(DMA){sub 4}(H{sub 2}O){sub 4}-Fe(CN){sub 6} {center_dot} 3H{sub 2}O (DMA = dimethylacetamide) has been determined at 15 K upon UV illumination by single crystal X-ray diffraction. Significant structural changes are observed around the Fe site in the excited state. These changes are similar to those observed for a related molecular compound exhibiting photomagnetic properties.

  20. Identification of ligand efficient, fragment-like hits from an HTS library: structure-based virtual screening and docking investigations of 2H- and 3H-pyrazolo tautomers for Aurora kinase A selectivity.

    PubMed

    Sarvagalla, Sailu; Singh, Vivek Kumar; Ke, Yi-Yu; Shiao, Hui-Yi; Lin, Wen-Hsing; Hsieh, Hsing-Pang; Hsu, John T A; Coumar, Mohane Selvaraj

    2015-01-01

    Furanopyrimidine 1 (IC50 = 273 nM, LE = 0.36, LELP = 10.28) was recently identified by high-throughput screening (HTS) of an in-house library (125,000 compounds) as an Aurora kinase inhibitor. Structure-based hit optimization resulted in lead molecules with in vivo efficacy in a mouse tumour xenograft model, but no oral bioavailability. This is attributed to "molecular obesity", a common problem during hit to lead evolution during which degradation of important molecular properties such as molecular weight (MW) and lipophilicity occurs. This could be effectively tackled by the right choice of hit compounds for optimization. In this regard, ligand efficiency (LE) and ligand efficiency dependent lipophilicity (LELP) indices are more often used to choose fragment-like hits for optimization. To identify hits with appropriate LE, we used a MW cut-off <250, and pyrazole structure to filter HTS library. Next, structure-based virtual screening using software (Libdock and Glide) in the Aurora A crystal structure (PDB ID: 3E5A) was carried out, and the top scoring 18 compounds tested for Aurora A enzyme inhibition. This resulted in the identification of a novel tetrahydro-pyrazolo-isoquinoline hit 7 (IC50 = 852 nM, LE = 0.44, LELP = 8.36) with fragment-like properties suitable for further hit optimization. Moreover, hit 7 was found to be selective for Aurora A (Aurora B IC50 = 35,150 nM) and the possible reasons for selectivity investigated by docking two tautomeric forms (2H- and 3H-pyrazole) of 7 in Auroras A and B (PDB ID: 4AF3) crystal structures. This docking study shows that the major 3H-pyrazole tautomer of 7 binds in Aurora A stronger than in Aurora B. PMID:25344840

  1. Identification of ligand efficient, fragment-like hits from an HTS library: structure-based virtual screening and docking investigations of 2H- and 3H-pyrazolo tautomers for Aurora kinase A selectivity.

    PubMed

    Sarvagalla, Sailu; Singh, Vivek Kumar; Ke, Yi-Yu; Shiao, Hui-Yi; Lin, Wen-Hsing; Hsieh, Hsing-Pang; Hsu, John T A; Coumar, Mohane Selvaraj

    2015-01-01

    Furanopyrimidine 1 (IC50 = 273 nM, LE = 0.36, LELP = 10.28) was recently identified by high-throughput screening (HTS) of an in-house library (125,000 compounds) as an Aurora kinase inhibitor. Structure-based hit optimization resulted in lead molecules with in vivo efficacy in a mouse tumour xenograft model, but no oral bioavailability. This is attributed to "molecular obesity", a common problem during hit to lead evolution during which degradation of important molecular properties such as molecular weight (MW) and lipophilicity occurs. This could be effectively tackled by the right choice of hit compounds for optimization. In this regard, ligand efficiency (LE) and ligand efficiency dependent lipophilicity (LELP) indices are more often used to choose fragment-like hits for optimization. To identify hits with appropriate LE, we used a MW cut-off <250, and pyrazole structure to filter HTS library. Next, structure-based virtual screening using software (Libdock and Glide) in the Aurora A crystal structure (PDB ID: 3E5A) was carried out, and the top scoring 18 compounds tested for Aurora A enzyme inhibition. This resulted in the identification of a novel tetrahydro-pyrazolo-isoquinoline hit 7 (IC50 = 852 nM, LE = 0.44, LELP = 8.36) with fragment-like properties suitable for further hit optimization. Moreover, hit 7 was found to be selective for Aurora A (Aurora B IC50 = 35,150 nM) and the possible reasons for selectivity investigated by docking two tautomeric forms (2H- and 3H-pyrazole) of 7 in Auroras A and B (PDB ID: 4AF3) crystal structures. This docking study shows that the major 3H-pyrazole tautomer of 7 binds in Aurora A stronger than in Aurora B.

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

    PubMed

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

    2014-11-24

    Metalation of a C2-methylated pyridylimidazolium salt with [IrCp*Cl2]2 affords either an ylidic complex, resulting from C(sp(3))-H bond activation of the C2-bound CH3 group if the metalation is performed in the presence of a base, such as AgO2 or Na2CO3, or a mesoionic complex via cyclometalation and thermally induced heterocyclic C(sp(2))-H bond activation, if the reaction is performed in the absence of a base. Similar cyclometalation and complex formation via C(sp(2))-H bond activation is observed when the heterocyclic ligand precursor consists of the analogous pyridyltriazolium salt, that is, when the metal bonding at the C2 position is blocked by a nitrogen rather than a methyl substituent. Despite the strongly mesoionic character of both the imidazolylidene and the triazolylidene, the former reacts rapidly with D(+) and undergoes isotope exchange at the heterocyclic C5 position, whereas the triazolylidene ligand is stable and only undergoes H/D exchange under basic conditions, where the imidazolylidene is essentially unreactive. The high stability of the Ir-C bond in aqueous solution over a broad pH range was exploited in catalytic water oxidation and silane oxidation. The catalytic hydrosilylation of ketones proceeds with turnover frequencies as high as 6,000 h(-1) with both the imidazolylidene and the triazolylidene system, whereas water oxidation is enhanced by the stronger donor properties of the imidazol-4-ylidene ligands and is more than three times faster than with the triazolylidene analogue. PMID:25302630

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

    PubMed

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

    2014-11-24

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

  4. Characterization, molecular modeling and antimicrobial activity of metal complexes of tridentate Schiff base derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and 2-aminophenol.

    PubMed

    Adly, Omima M I

    2012-09-01

    Metal complexes of Ni(II), Co(II), Cd(II), VO(IV) and UO(2)(VI) as well as several Cu(II) salts, including Cl(-),NO(3)(-),AcO(-),ClO(4)(-) and SO(4)(-2) with a tridentate O(2)N donor Schiff base ligand (H(2)L), synthesized by condensation of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with 2-aminophenol, were prepared and characterized on the basis of elemental analyses, spectral, magnetic, molar conductance and thermal gravimetric analysis. Square planar, tetrahedral and octahedral geometries have been assigned to the prepared complexes. Molecular parameters of the ligand and its metal complexes have been calculated and correlated with the experimental data, and the changes of bond lengths are linearly correlated with IR data. The antimicrobial activities of the synthesized compounds were tested in vitro against the sensitive organisms Staphylococcus aureus as Gram positive bacteria, Proteus vulgaris as Gram negative bacteria and Candida albicans as fungus strain, and the results are discussed.

  5. Spectral characterization, molecular modeling and antimicrobial studies on hydrazone metal complexes of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)dione and S-methyl dithiocarbazate.

    PubMed

    Taha, Ali; Emara, Adel A A; Mashaly, Mahmoud M; Adly, Omima M I

    2014-09-15

    Metal complexes of copper(II), nickel(II), cobalt(II), oxovanadium(IV), chromium(III) and cadmium(II) with a new bridged ONS dibasic tridentate hydrazone (H2L) derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with S-methyl dithiocarbazate have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, spectral (infrared, electronic, mass, 1H NMR and ESR) studies as well as thermal gravimetric analysis (TGA). The synthesized complexes have dimeric structures with the general formula [ML(NO3)m(H2O)x]2·nH2O·zMeOH, L=dianion of the hydrazone, m=0-1, x=0-2, n=0-4 and z=0-1. The metal complexes exhibited square planar, tetrahedral and octahedral geometrical arrangements, the molar conductivity data indicates that all complexes are neutral. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition stages of some complexes. Structural parameters of the ligand and its metal complexes have been theoretically computed on the basis of semiempirical PM3 level and the results were correlated with their experimental data. Antibacterial activities of the free ligand and its metal complexes were screened against various organisms.

  6. Spectral characterization, molecular modeling and antimicrobial studies on hydrazone metal complexes of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)dione and S-methyl dithiocarbazate

    NASA Astrophysics Data System (ADS)

    Taha, Ali; Emara, Adel A. A.; Mashaly, Mahmoud M.; Adly, Omima M. I.

    2014-09-01

    Metal complexes of copper(II), nickel(II), cobalt(II), oxovanadium(IV), chromium(III) and cadmium(II) with a new bridged ONS dibasic tridentate hydrazone (H2L) derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with S-methyl dithiocarbazate have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, spectral (infrared, electronic, mass, 1H NMR and ESR) studies as well as thermal gravimetric analysis (TGA). The synthesized complexes have dimeric structures with the general formula [ML(NO3)m(H2O)x]2·nH2O·zMeOH, L = dianion of the hydrazone, m = 0-1, x = 0-2, n = 0-4 and z = 0-1. The metal complexes exhibited square planar, tetrahedral and octahedral geometrical arrangements, the molar conductivity data indicates that all complexes are neutral. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition stages of some complexes. Structural parameters of the ligand and its metal complexes have been theoretically computed on the basis of semiempirical PM3 level and the results were correlated with their experimental data. Antibacterial activities of the free ligand and its metal complexes were screened against various organisms.

  7. Repetitively pulsed atmospheric pressure discharge treatment of rough polymer surfaces: II. Treatment of micro-beads in He/NH3/H2O and He/O2/H2O mixtures

    NASA Astrophysics Data System (ADS)

    Bhoj, Ananth N.; Kushner, Mark J.

    2008-08-01

    Plasmas are increasingly being used to functionalize the surface of polymers having complex shapes for biomedical applications such as tissue scaffolds and drug delivering micro-beads. The functionalization often requires affixation of amine (NH2) or O-containing groups. In this paper, results are discussed from a two-dimensional computational investigation of the atmospheric pressure plasma functionalization of non-planar and porous surfaces of polypropylene with NHx and O-containing groups. For the former, the discharge is sustained in He/NH3/H2O mixtures in a dielectric barrier-corona configuration. Significant microscopic non-uniformities arise due to competing pathways for reactive gas phase radicals such as OH and NH2, and on the surface by the availability of OH to initiate amine attachment. The treatment of inside surfaces of porous polymer micro-beads placed on an electrode is particularly sensitive to view angles to the discharge and pore size, and is ultimately controlled by the relative rates of radical transport and surface reactions deep into the pores. The functionalization of micro-beads suspended in He/O2/H2O discharges is rapid with comparable treatment of the outer and interior surfaces, but varies with the location of the micro-bead in the discharge volume.

  8. Difference between ²JC2H3 and ²JC3H2 spin-spin couplings in heterocyclic five- and six-membered rings as a probe for studying σ-ring currents: a quantum chemical analysis.

    PubMed

    Contreras, Rubén H; dos Santos, Francisco P; Ducati, Lucas C; Tormena, Cláudio F

    2010-12-01

    Adequate analyses of canonical molecular orbitals (CMOs) can provide rather detailed information on the importance of different σ-Fermi contact (FC) coupling pathways (FC term transmitted through the σ-skeleton). Knowledge of the spatial distribution of CMOs is obtained by expanding them in terms of natural bond orbitals (NBOs). Their relative importance for transmitting the σ-FC contribution to a given spin-spin coupling constants (SSCCs) is estimated by resorting to the expression of the FC term given by the polarisation propagator formalism. In this way, it is possible to classify the effects affecting such couplings in two different ways: delocalisation interactions taking place in the neighbourhood of the coupling nuclei and 'round the ring' effects. The latter, associated with σ-ring currents, are observed to yield significant differences between the FC terms of (2)J(C2H3) and (2)J(C3H2) SSCCs which, consequently, are taken as probes to gauge the differences in σ-ring currents for the five-membered rings (furan, thiophene, selenophene and pyrrol) and also for the six-membered rings (benzene, pyridine, protonated pyridine and N-oxide pyridine) used in the present study.

  9. Effects of oxygen tension and dextran-shelled/2H,3H-decafluoropentane-cored oxygen-loaded nanodroplets on secretion of gelatinases and their inhibitors in term human placenta.

    PubMed

    Prato, Mauro; Khadjavi, Amina; Magnetto, Chiara; Gulino, Giulia Rossana; Rolfo, Alessandro; Todros, Tullia; Cavalli, Roberta; Guiot, Caterina

    2016-01-01

    Matrix metalloproteinases (MMPs) and their endogenous inhibitors (TIMPs) need to be finely modulated in physiological processes. However, oxygen tension influences MMP/TIMP balances, potentially leading to pathology. Intriguingly, new 2H,3H-decafluoropentane-based oxygen-loaded nanodroplets (OLNDs) have proven effective in abrogating hypoxia-dependent dysregulation of MMP and TIMP secretion by single cell populations. This work explored the effects of different oxygen tensions and dextran-shelled OLNDs on MMP/TIMP production in an organized and multicellular tissue (term human placenta). Chorionic villous explants from normal third-trimester pregnancies were incubated with/without OLNDs in 3 or 20% O2. Explants cultured at higher oxygen tension released constitutive proMMP-2, proMMP-9, TIMP-1, and TIMP-2. Hypoxia significantly altered MMP-2/TIMP-2 and MMP-9/TIMP-1 ratios enhancing TIMP-2 and reducing proMMP-2, proMMP-9, and TIMP-1 levels. Intriguingly, OLNDs effectively counteracted the effects of low oxygen tension. Collectively, these data support OLND potential as innovative, nonconventional, and cost-effective tools to counteract hypoxia-dependent dysregulation of MMP/TIMP balances in human tissues.

  10. Characterization, molecular modeling and antimicrobial activity of metal complexes of tridentate Schiff base derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and 2-aminophenol

    NASA Astrophysics Data System (ADS)

    Adly, Omima M. I.

    Metal complexes of Ni(II), Co(II), Cd(II), VO(IV) and UO2(VI) as well as several Cu(II) salts, including Cl,NO3-,AcO,ClO4- and SO4-2 with a tridentate O2N donor Schiff base ligand (H2L), synthesized by condensation of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with 2-aminophenol, were prepared and characterized on the basis of elemental analyses, spectral, magnetic, molar conductance and thermal gravimetric analysis. Square planar, tetrahedral and octahedral geometries have been assigned to the prepared complexes. Molecular parameters of the ligand and its metal complexes have been calculated and correlated with the experimental data, and the changes of bond lengths are linearly correlated with IR data. The antimicrobial activities of the synthesized compounds were tested in vitro against the sensitive organisms Staphylococcus aureus as Gram positive bacteria, Proteus vulgaris as Gram negative bacteria and Candida albicans as fungus strain, and the results are discussed.

  11. Ion-neutral reaction of the C2H2N+ cation with C2H2: An experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Fathi, P.; Geppert, W. D.; Kaiser, A.; Ascenzi, D.

    2016-03-01

    The ion-neutral reactions of the C2H2N+ cation with C2H2 have been investigated using a Guided Ion Beam Mass Spectrometer (GIB-MS). The following ionic products were observed: CH3+, C2H2+, C2H3+, HNC+ /HCN+ , HCNH+, C3H+ , C2N+ , C3H3+, HCCN+ and C4H2N+ . Theoretical calculations have been carried out to propose reaction pathways leading to the observed products. These processes are of relevance for the generation of long chain nitrogen-containing species and they may be of interest for the chemistry of Titan's ionosphere or circumstellar envelopes.

  12. Collision efficiency of water in the unimolecular reaction CH4 (+H2O) ⇆ CH3 + H (+H2O): one-dimensional and two-dimensional solutions of the low-pressure-limit master equation.

    PubMed

    Jasper, Ahren W; Miller, James A; Klippenstein, Stephen J

    2013-11-27

    The low-pressure-limit unimolecular decomposition of methane, CH4 (+M) ⇆ CH3 + H (+M), is characterized via low-order moments of the total energy, E, and angular momentum, J, transferred due to collisions. The low-order moments are calculated using ensembles of classical trajectories, with new direct dynamics results for M = H2O and new results for M = O2 compared with previous results for several typical atomic (M = He, Ne, Ar, Kr) and diatomic (M = H2 and N2) bath gases and one polyatomic bath gas, M = CH4. The calculated moments are used to parametrize three different models of the energy transfer function, from which low-pressure-limit rate coefficients for dissociation, k0, are calculated. Both one-dimensional and two-dimensional collisional energy transfer models are considered. The collision efficiency for M = H2O relative to the other bath gases (defined as the ratio of low-pressure limit rate coefficients) is found to depend on temperature, with, e.g., k0(H2O)/k0(Ar) = 7 at 2000 K but only 3 at 300 K. We also consider the rotational collision efficiency of the various baths. Water is the only bath gas found to fully equilibrate rotations, and only at temperatures below 1000 K. At elevated temperatures, the kinetic effect of "weak-collider-in-J" collisions is found to be small. At room temperature, however, the use of an explicitly two-dimensional master equation model that includes weak-collider-in-J effects predicts smaller rate coefficients by 50% relative to the use of a statistical model for rotations. The accuracies of several methods for predicting relative collision efficiencies that do not require solving the master equation and that are based on the calculated low-order moments are tested. Troe's weak collider efficiency, βc, includes the effect of saturation of collision outcomes above threshold and accurately predicts the relative collision efficiencies of the nine baths. Finally, a brief discussion is presented of mechanistic details of the

  13. Crystal and molecular structure of Sr{sub 2}(Edta) . 5H{sub 2}O, Sr{sub 2}(H{sub 2}Edta)(HCO{sub 3}){sub 2} . 4H{sub 2}O, and Sr{sub 2}(H{sub 2}Edta)Cl{sub 2} . 5H{sub 2}O strontium ethylenediaminetetraacetates

    SciTech Connect

    Polyakova, I. N.; Poznyak, A. L.; Sergienko, V. S.

    2009-03-15

    Three Sr{sup 2+} compounds with the Edta{sup 4-} and H{sub 2}Edta{sup 2-} ligands-Sr{sub 2}(Edta) . 5H{sub 2}O (I), Sr{sub 2}(H{sub 2}Edta)(HCO{sub 3}){sub 2} . 4H{sub 2}O (II), and Sr{sub 2}(H{sub 2}Edta)Cl{sub 2} . 5H{sub 2}O (III)-are synthesized, and their crystal structures are studied. In I, the Sr(1) atom is coordinated by the hexadentate Edta{sup 4-} ligand following the 2N + 4O pattern and by two O atoms of the neighboring ligands, which affords the formation of zigzag chains. The Sr(2) atom forms bonds with O atoms of five water molecules and attaches itself to a chain via bonds with three O atoms of the Edta{sup 4-} ligands. The Sr(1)-O and Sr(2)-O bond lengths fall in the ranges 2.520(2)-2.656(3) and 2.527(3)-2.683(2) A, respectively. The Sr(1)-N bonds are 2.702(3) and 2.743(3) A long. In II and III, the H{sub 2}Edta{sup 2-} anions have a centrosymmetric structure with the trans configuration of the planar ethylenediamine fragment. The N atoms are blocked by acid protons. In II, the environment of the Sr atom is formed by six O atoms of three H{sub 2}Edta ligands, two O atoms of water molecules, and an O atom of the bicarbonate ion, which is disordered over two positions. In III, the environment of the Sr atom includes six O atoms of four H{sub 2}Edta{sup 2-} ligands and three O atoms of water molecules. The coordination number of the Sr atoms is equal to 8 + 1. In II and III, the main bonds fall in the ranges 2.534(3)-2.732(2) and 2.482(2)-2.746(3) A, whereas the ninth bond is elongated to 2.937(3) and 3.055(3) A, respectively. In II, all the structural elements are linked into wavy layers. The O-H-O interactions contribute to the stabilization of the layer and link neighboring layers. In III, hydrated Sr{sup 2+} cations and H{sub 2}Edta{sup -} anions form a three-dimensional [Sr{sub 2}(H{sub 2}Edta)(H{sub 2}O){sub 3}]{sub n}{sup 2n+} framework. The Cl{sup -} anions are fixed in channels of the framework by hydrogen bonds with four water molecules. In

  14. Dynamics of H abstraction from alcohols (CH3OH, C2H5OH and 2-C3H7OH) using velocity map imaging in crossed molecular beams

    SciTech Connect

    Ahmed, M.; Peterka, D.S.; Suits, A.G.

    1999-09-01

    The crossed beam reactions of ground state Cl ({sup 2}P{sub 3/2}) atoms with alcohols (CH{sub 3}OH, C{sub 2}H{sub 5}OH and 2-C{sub 3}H{sub 7}OH) have been studied using the technique of velocity map imaging (VELMI). The corresponding hydroxyalkyl radical was detected via single photon ionization using 157 nm laser light. The double differential cross sections were obtained at collision energies of 8.7 kcal/mol for methanol, 6.0 and 9.7 kcal/mol for ethanol, and 11.9 kcal/mol for 2-propanol. In all cases, the scattering was predominantly in the backward-sideways direction suggesting direct rebound dynamics, with varying amounts of sideways-scattering. In the case of methanol, the angular distributions were predominantly in the sideways-backward direction with respect to the incoming alcohol beam. Scattering was into the backward hemisphere at the lower collision energy for ethanol, with enhancement of sideways scattering with an increase in collision energy. Isoropanol gave scattering predominantly in the backward direction. Coupling between the translational energy and angular distributions was particularly significant for ethanol at the lower collision energy. All of the translational energy distributions peaked at about 6 kcal/mol and on average 30-40% of the available energy was deposited into product translation for all the alcohols studied. These results are contrasted with previous H abstraction studies performed on Cl-hydrocarbon systems. A case is made for the technique of vacuum ultraviolet one-photon ionization in conjunction with VELMI being useful in studying the reaction dynamics for many polyatomic systems.

  15. Synthesis, molecular modeling, thermal and spectral studies of metal complexes of hydrazone derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and thiosemicarbazide.

    PubMed

    Adly, Omima M I

    2011-09-01

    Metal complexes with the general formula [ML(H2O)(CH3OH)x]·nH2O·(CH3OH)y(NO3)z [M=Cu(II), Ni(II), Co(II), VO(IV), Cr(III), Cd(II), Zn(II) or UO2(VI); x=0-2; y=0,1; z=0,1; n=0-2, 6 and L=hydrazone (H2L) derived from condensation of thiosemicarbazide with 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione. The synthesized ligand and its metal complexes have been characterized on the basis of elemental analyses, spectral and magnetic studies as well as thermal gravimetric analysis (TGA). The deprotonated ligand acts as a dibasic tridentate (ONS) via phenolate oxygen, azomethine (CN), and thiolate (C-S) groups. Copper(II) complex exhibits square planar geometry. Nickel(II), chromium(III) and dioxouranium(VI) complexes exhibit octahedral geometry. Cobalt(II), cadmium(II) and zinc(II) complexes showed tetrahedral geometry, whereas oxovanadium(IV) reveals square pyramidal geometry. Thermal analysis are investigated and showed either three or four thermal decomposition steps. Kinetic parameters (Ea, A, ΔH, ΔS and ΔG) of the thermal decomposition stages have been evaluated using Coats-Redfern equations. The molecular parameters of the ligand and its metal complexes have been calculated and correlated with the experimental data such as IR and TGA results.

  16. Spectroscopic and structural studies of new mononucleating tetradentate Schiff base metal chelates derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and 1,3-diaminopropane

    NASA Astrophysics Data System (ADS)

    Adly, Omima M. I.; Taha, Ali; Fahmy, Shery A.

    2015-08-01

    Metal complexes with the general formula Some newly transition metal complexes, [ML(H2O)x(NO3)y], x = 1-2 and y = 0-1, [M = Cr(III), Fe(III), Co(II), Ni(II), Cu(II), Ce(III), Cd(II), Zn(II) or UO2(VI)], L= of the Schiff base (H2L) derived from the reaction of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with 1,3-diaminopropane have been prepared and characterized by physical, spectral and analytical data. The structure of the Schiff - base acts as dibasic tetradentate N2O2 for the complexation reaction with Cr(III), Fe(III), Co(II), Cu(II), Ni(II), Ce(III), Cd(II), and UO2(II) ions via phenolates oxygen and nitrogen of azomethine groups. Based on spectral data and magnetic moments, an octahedral geometry may be proposed for the synthesized complexes except cerium(III) complex which has pentagonal bipyramidal arrangement. The low values of the molar conductance indicate non-electrolyte nature of complexes, while 1:1 electrolyte for cerium(III)- and chromium(III)-complexes. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition steps of some complexes. All the synthesized compounds were tested for in vitro antibacterial activity against some Gram-positive and Gram-negative bacteria, yeast and fungus. Molecular structure of the Schiff base ligand and its complexes were optimized for the proposed structures on the basis of semiempirical PM3 method.

  17. Down-regulation of p-coumaroyl quinate/shikimate 3'-hydroxylase (C3'H) and cinnamate 4-hydroxylase (C4H) genes in the lignin biosynthetic pathway of Eucalyptus urophylla x E. grandis leads to improved sugar release

    SciTech Connect

    Sykes, Robert W.; Gjersing, Erica L.; Foutz, Kirk; Rottmann, William H.; Kuhn, Sean A.; Foster, Cliff E.; Ziebell, Angela; Turner, Geoffrey B.; Decker, Stephen R.; Hinchee, Maud A. W.; Davis, Mark F.

    2015-08-27

    In this study, lignocellulosic materials provide an attractive replacement for food-based crops used to produce ethanol. Understanding the interactions within the cell wall is vital to overcome the highly recalcitrant nature of biomass. One factor imparting plant cell wall recalcitrance is lignin, which can be manipulated by making changes in the lignin biosynthetic pathway. In this study, eucalyptus down-regulated in expression of cinnamate 4-hydroxylase (C4H, EC 1.14.13.11) or p-coumaroyl quinate/shikimate 3'-hydroxylase (C3'H, EC 1.14.13.36) were evaluated for cell wall composition and reduced recalcitrance.

  18. Synthesis and Biological Activity of Manganese (II) Complexes of Phthalic and Isophthalic Acid: X-Ray Crystal Structures of [Mn(ph)(Phen)2(H2O)]· 4H2O, [Mn(Phen)2(H2O)2]2(Isoph)2(Phen)· 12H2O and {[Mn(Isoph)(bipy)]4· 2.75biby}n(phH2 = Phthalic Acid; isoph = Isophthalic Acid; phen = 1,10-Phenanthroline; bipy = 2,2-Bipyridine)

    PubMed Central

    McCann, Malachy; Leon, Vanessa; Geraghty, Majella; McKee, Vickie; Wikaira, Jan

    2000-01-01

    Manganese(II) acetate reacts with phthalic acid (phH2) to give [Mn(ph)]·0.5H2O (1). Reaction of 1 with 1,10-phenanthroline produces [Mn(ph)(phen)]·2H2O (2) and [Mn(ph)(phen)2(H2O)]·4H2O (3). Reaction of isophthalic acid (isophH2) with manganese(II) acetate results in the formation of [Mn(isoph)]·2H2O (4). The addition of the N,N-donor ligands 1,10-phenanthroline or 2,2'-bipyridine to 4 leads to the formation of [Mn2 (isoph)2(phen)3)]·4H2O (5), [(Mn(phen)2(H2O)2]2(isoph)2(phen)·12H2O (6) and {[Mn(isoph)(bipy)]4·2.75 biby}n (7), respectively. Molecular structures of 3, 6 and 7 were determined crystallographically. In 3 the phthalate ligand is bound to the manganese via just one of its carboxylate groups in a monodentate mode with the remaining coordination sites filled by four phenanthroline nitrogen and one water oxygen atoms. In 6 the isophthalates are uncoordinated with the octahedral manganese center ligated by two phenanthrolines and two waters. In 7 the Isophthalate ligands act as bridges resulting in a polymeric structure. One of the carboxylate groups is chelating a single manganese with the other binding two metal centres in a bridging bidentate mode. The phthalate and isophthalate complexes, the metal free ligands and a number of simple manganes salts were each tested for their ability, to inhibit the growth of Candida albicans. Only the “metal free” 1,10-phenanthroline and its manganese complexes were found to be active. PMID:18475957

  19. Energetics of phosphate frameworks containing zinc and cobalt: NaZnPO{sub 4}, NaH(ZnPO{sub 4}){sub 2}, NaZnPO{sub 4}.H{sub 2}O, NaZnPO{sub 4}.4/3 H{sub 2}O, and NaCo{sub x}Zn{sub 1-x}PO{sub 4}.4/3 H{sub 2}O

    SciTech Connect

    Le, So-Nhu; Navrotsky, Alexandra

    2007-09-15

    Differential scanning calorimetry and high temperature oxide melt solution calorimetry were used to study the enthalpy of the {alpha}-{beta} phase transformation of NaZnPO{sub 4} and enthalpies of formation of {alpha}-NaZnPO{sub 4}, NaH(ZnPO{sub 4}){sub 2}, NaZnPO{sub 4}.H{sub 2}O, and NaCo{sub x}Zn{sub 1-x}PO{sub 4}.4/3 H{sub 2}O (x=0, 0.1, 0.2, 0.3). The enthalpies of formation from the oxides of cobalt substituted in NaZnPO{sub 4}.4/3 H{sub 2}O do not depend on cobalt content, confirming similar acid-base interactions for Zn-PO{sub 4} and Co-PO{sub 4}. While water molecules stabilize zinc phosphate frameworks through solvating a cation or forming extra hydrogen bonds, the partial substitution of water for sodium oxide to form NaH(ZnPO{sub 4}){sub 2} represents the formation of an acidic compound with weaker acid-base interactions and less exothermic enthalpy of formation from oxides than Na{sub 2}(ZnPO{sub 4}){sub 2}. - Graphical abstract: Relative stability of NaZnPO{sub 4} dense phases, open frameworks, and hydrated frameworks. Enthalpy of interaction between water and NaZnPO{sub 4} frameworks is presented by reaction: NaZnPO{sub 4} (cr, open framework) + nH{sub 2}O (l) {yields} NaZnPO{sub 4}.nH{sub 2}O (cr, hydrated framework)

  20. Synthesis and antitumor activity of some 2, 3-disubstituted quinazolin-4(3H)-ones and 4, 6- disubstituted- 1, 2, 3, 4-tetrahydroquinazolin-2H-ones.

    PubMed

    Abdel Gawad, Nagwa M; Georgey, Hanan H; Youssef, Riham M; El-Sayed, Nehad A

    2010-12-01

    The synthesis of some new 3-substituted quinazolin-4(3H)-ones and 3,4-dihydro-quinazolin-2(1H)-one derivatives and their biological evaluation as antitumor agents using the National Cancer Institute (NCI), disease oriented antitumor screening protocol are investigated. Compounds 2-[2-(4-chlorophenyl)-2-oxo-ethylthio]-3-(4-methoxyphenyl)quinazolin-4(3H)-one (3b), and 3-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethylthio]quinazolin-4(3H)-one (3d), are broad-spectrum antitumors showing effectiveness toward numerous cell lines that belong to different tumor subpanels, Compounds 3b, 3d are the most active members in this study. Those two quinazoline analogues could be considered as useful templates for future development to obtain more potent antitumor agent(s).

  1. 4-H and Iowa.

    ERIC Educational Resources Information Center

    Gore, Deborah, Ed.

    1988-01-01

    This issue focuses on Iowa's role in the historical development of the 4-H youth program. "Roots in Iowa" and "Jessie Field Shambaugh: The Mother of 4-H" (J. Friedel) describes the rural Iowan roots of the 4-H program, which today is located in 80 different countries, and give the story of its founder. Jessie Shambaugh, a rural Iowa teacher and…

  2. Palladium-catalyzed through-space C(sp(3))-H and C(sp(2))-H bond activation by 1,4-palladium migration: efficient synthesis of [3,4]-fused oxindoles.

    PubMed

    Piou, Tiffany; Bunescu, Ala; Wang, Qian; Neuville, Luc; Zhu, Jieping

    2013-11-18

    Palladium two step: Linear anilides were converted into the title compounds in good to excellent yields through a palladium-catalyzed domino carbopalladation/1,4-palladium shift sequence. The C(sp(3) )-H activation involves a seven-membered palladacycle, and is chemoselective in the presence of competitive C(sp(2) )H bonds. DMA=N,N-dimethylacetamide, OPiv=pivalate.

  3. Degradation studies on benzoxazinoids. Soil degradation dynamics of (2R)-2-O-beta-D-glucopyranosyl-4-hydroxy-(2H)- 1,4-benzoxazin-3(4H)-one (DIBOA-Glc) and its degradation products, phytotoxic allelochemicals from Gramineae.

    PubMed

    Macías, Francisco A; Oliveros-Bastidas, Alberto; Marín, David; Castellano, Diego; Simonet, Ana M; Molinillo, José M G

    2005-02-01

    Wheat (Triticum aestivum L.) has been found to possess allelopathic potential and studies have been conduced to apply wheat allelopathy for biological weed control. 2,4-Dihydroxy-(2H)-1,4-benzoxazin-3(4H)-one (DIBOA) is a common product found in wheat, corn, and rye exudates and it can be released to the environment by that way. In this report, the stability of DIBOA is studied in two soils from crop lands of wheat cv. Astron and cv. Ritmo. These varieties were selected by their concentrations of DIBOA and 2,4-dihydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one (DIMBOA) from aerial parts and by the bioactivities of their aqueous extracts in the growth of wheat coleoptile sections. The degradation rate of DIBOA in these soils was measured in laboratory tests during 90 h by high-pressure liquid chromatography methods. These analyses demonstrate that DIBOA was transformed primarily into 2-benzoxazolinone (BOA). This transformation was similar in both soil types with an average half-life of 43 h. The degradation studies for BOA show its biotransformation to 2-aminophenoxazin-3-one (APO) with a half-life of 2.5 days. Therefore, BOA is an intermediate product in the biotransformation from DIBOA to APO in these wheat crop soils and is consistent with previous findings. APO was not degraded after three months in soil, suggesting that its degradation rate in soil is very slow.

  4. Effect of sequence of administration on the pharmacokinetic interaction between the anticholinergic drug biperiden and [3H]quinuclidinyl benzylate or [3H]N-methylscopolamine in rats.

    PubMed

    Ishizaki, J; Yokogawa, K; Nakashima, E; Takayasu, T; Ohshima, T; Ichimura, F

    1998-02-01

    In rats the pharmacokinetic interactions between the anticholinergic drug biperiden and [3H]quinuclidinyl benzylate ([3H]QNB) or [3H]N-methylscopolamine ([3H]NMS) is affected by the sequence in which the drugs are administered. Drug concentrations in various tissues were determined after intravenous administration of [3H]QNB or [3H]NMS (325 ng kg(-1)). Biperiden (6.4 mg kg(-1)) was administered either 5 min before, concomitantly with or 20 min after injection of [3H]QNB or [3H]NMS. When biperiden was administered concomitantly with or before [3H]QNB, distribution of [3H]QNB among the regions of the brain and other tissues was reduced; at 4 h the ratio of the distribution of [3H]QNB for experimental animals to that for control animals ranged from 0.15 to 0.9. When biperiden was administered after [3H]QNB, the distribution of [3H]QNB in the brain and other tissues was significantly higher than for the other two treatments (P < 0.01). However, for [3H]NMS the sequence of administration had no effect on the distribution of the drug in the brain and other tissues except for the kidney. In-vitro, in crude synaptosomal membranes, the amount of [3H]QNB at 2 h relative to the control concentration at equilibrium was 87% when biperiden was added before [3H]QNB and 56% when biperiden was added after [3H]QNB. In both instances the concentration of [3H]NMS reached equilibrium within 30 min. These findings suggest that the difference between the rate constant of association and dissociation at the possible site of action gives rise to the effect of the sequence of administration on the pharmacokinetic interaction.

  5. Contributions of excited {sup 6}Li and {sup 7}Li nuclei to the production of {sup 4}He+{sup 2}H and {sup 4}He+{sup 3}H systems in {sup 16}O{sub p} collisions at a momentum of 3.25 GeV/c per nucleon

    SciTech Connect

    Olimov, K.; Glagolev, V. V.; Gulamov, K. G.; Lutpullaev, S. L.; Kurbanov, A. R.; Olimov, A. K.; Petrov, V. I.; Yuldashev, A. A.

    2013-07-15

    New experimental data on the cross sections for the yield of excited {sup 6}Li* and {sup 7}Li* nuclei and on their contributions to the production of {sup 4}He + {sup 2}H and {sup 4}He+{sup 3}H light dinuclear systems in {sup 16}O{sub p} collisions at a momentumof 3.25 A GeV/c per nucleon are presented.

  6. Isochoric p-{rho}-T and heat capacity C{sub v} measurements on {l_brace}xC{sub 3}H{sub 8} + (1 {minus} x)i-C{sub 4}H{sub 10}, x {approx} 0.7, 0.3{r_brace} from 200 to 400 K at pressures to 35 MPa

    SciTech Connect

    Duarte-Garza, H.A.; Magee, J.W.

    1999-09-01

    The p-{rho}-T relationships and constant volume heat capacity C{sub v} were measured for binary hydrocarbon mixtures containing propane (C{sub 3}H{sub 8}) and isobutane (i-C{sub 4}H{sub 10}). Temperatures ranged from 200 K to 400 K for p-{rho}-T and from 203 K to 342 K for C{sub v} with pressures up to 35 MPa for both measurements. Measurements of p-{rho}-T and C{sub v} were conducted on liquid samples with the mole fraction compositions {l_brace}xC{sub 3}H{sub 8} + (1 {minus} x)i-C{sub 4}H{sub 10}{r_brace} for x = 0.7006 and x = 0.2979. Determinations of saturated-liquid densities were made by extrapolating each isochore to the saturated-liquid pressure and determining the temperature and density at the intersection. Published p-{rho}-T data are in good agreement with this study. For the p-{rho}-T apparatus, the uncertainty of the temperature is 0.03 K, and for pressure it is 0.01% at p > 3 MPa and 0.05% at p < 3 MPa. The principal source of uncertainty in density is the cell volume ({approximately}28.5 cm{sup 3}) with a standard uncertainty of 0.003 cm{sup 3}. When all components of experimental uncertainty are considered, the expanded relative uncertainty (with a coverage factor {kappa} = 2 and thus a two-standard-deviation estimate) of the density measurements is estimated to be 0.05%. For the C{sub v} apparatus, the uncertainty is 0.002 K for the temperature rise and 0.2% for the change-of-volume work, which is the principal source of uncertainty. The expanded relative uncertainty of the heat capacity measurements is estimated to be 0.7%. Hydrocarbon mixtures are considered to be leading candidates to replace chlorofluorocarbon refrigerants, which will be phased out under the terms of the Montreal Protocol.

  7. Microcrystalline phase transformation from ZrF4·HF·2H2O to ZrO2 through the intermediate phases ZrF4·3H2O, ZrF4·H2O, Zr2OF6·H2O and ZrF4

    NASA Astrophysics Data System (ADS)

    Dey, C. C.

    2014-09-01

    The behavior of hydrated zirconium fluoride has been studied by perturbed angular correlation spectroscopy. It is found that the crystalline compound ZrF4·HF·2H2O, formed initially by drying solution of Zr metal in concentrated HF, transforms spontaneously to ZrF4·3H2O. This trihydrated compound dehydrates to ZrF4 through the intermediate monohydrates ZrF4·H2O and Zr2OF6·H2O. The compound ZrF4 finally transforms to ZrO2 at ∼343 K. Different crystalline phases of ZrF4·HF·2H2O, ZrF4·3H2O, ZrF4·H2O, Zr2OF6·H2O, ZrF4 and ZrO2 have been identified and characterized by PAC spectroscopy. From previous PAC measurements, the intermediate ZrF4·H2O and Zr2OF6·H2O were not observed and the dehydration from ZrF4·3H2O to ZrF4 was found to be routed directly. Present measurements by PAC exhibits dissimilar crystal structures for ZrF4·3H2O and ZrF4·H2O unlike the crystal structures found in hafnium analogous compounds.

  8. A novel technique for measurement of thermal rate constants and temperature dependences of dissociative recombination: CO2(+), CF3(+), N2O(+), C7H8(+), C7H7(+), C6H6(+), C6H5(+), C5H6(+), C4H4(+), and C3H3(+).

    PubMed

    Fournier, Joseph A; Shuman, Nicholas S; Melko, Joshua J; Ard, Shaun G; Viggiano, Albert A

    2013-04-21

    A novel technique using a flowing afterglow-Langmuir probe apparatus for measurement of temperature dependences of rate constants for dissociative recombination (DR) is presented. Low (~10(11) cm(-3)) concentrations of a neutral precursor are added to a noble gas∕electron afterglow plasma thermalized at 300-500 K. Charge exchange yields one or many cation species, each of which may undergo DR. Relative ion concentrations are monitored at a fixed reaction time while the initial plasma density is varied between 10(9) and 10(10) cm(-3). Modeling of the decrease in concentration of each cation relative to the non-recombining noble gas cation yields the rate constant for DR. The technique is applied to several species (O2(+), CO2(+), CF3(+), N2O(+)) with previously determined 300 K values, showing excellent agreement. The measurements of those species are extended to 500 K, with good agreement to literature values where they exist. Measurements are also made for a range of CnHm(+) (C7H7(+), C7H8(+), C5H6(+), C4H4(+), C6H5(+), C3H3(+), and C6H6(+)) derived from benzene and toluene neutral precursors. CnHm(+) DR rate constants vary from 8-12 × 10(-7) cm(3) s(-1) at 300 K with temperature dependences of approximately T(-0.7). Where prior measurements exist these results are in agreement, with the exception of C3H3(+) where the present results disagree with a previously reported flat temperature dependence. PMID:23614415

  9. Structural and computational characterization of 4‧,4‧,6‧,6‧-tetrachloro-3-(2-methoxyethyl)-3H,4H-spiro-1,3,2-benzoxaza phosphinine-2,2‧- [1,3,5,2,4,6] triazatriphosphinine

    NASA Astrophysics Data System (ADS)

    Işıklan, Muhammet; Yıldırım, Erdem Kamil; Atiş, Murat; Sonkaya, Ömer; Çoşut, Bünyemin

    2016-08-01

    In this study a new monospirocyclic phosphazene derivative, 4‧,4‧,6‧,6‧-tetrachloro-3-(2-methoxyethyl)-3H,4H-spiro [1,3,2-benzoxazaphosphinine-2,2‧- [1,3,5,2,4,6] triazatriphosphinine] (SP1) was synthesized from the reaction of hexachlorocyclotriphosphazene (N3P3Cl6) with N/O donor-type, 2-{[(2-Metoxyethyl) amino]methyl}phenol. The structural investigations of the compound were verified by elemental analyses, MS, FTIR, 1H, 13C, 31P NMR spectroscopy and the single crystal X-ray diffraction analysis. The structural and spectroscopic data of the molecule in the ground state were calculated by using density functional method (DFT) using 6-311++G (d, p) basis set. The complete assignments of all vibrational modes were performed on the basis of the total energy distributions (TED). Isotropic chemical shifts (31P, 1H and 13C NMR) were calculated using the gauge-invariant atomic orbital (GIAO) method. Theoretical calculations of bond parameters, harmonic vibration frequencies and nuclear magnetic resonance are in good agreement with experimental results. The electrophilic and nucleophilic attack centers in SP1 were predicted with the local softness values (sk+, and sk-) of individual atoms and it is confirmed that P atoms of the PCl2 groups are nucleophilic attack centers.

  10. Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies.

    PubMed

    Ozarowski, Andrew; Calzado, Carmen J; Sharma, Raj Pal; Kumar, Santosh; Jezierska, Julia; Angeli, Celestino; Spizzo, Federico; Ferretti, Valeria

    2015-12-21

    The trinuclear [Cu3(RCOO)4(H2TEA)2] copper(II) complexes, where RCOO(-) = 2-furoate (1), 2-methoxybenzoate (2), and 3-methoxybenzoate (3, 4), as well as dimeric species [Cu2(H2TEA)2(RCOO)2]·2H2O, have been prepared by adding triethanolamine (H3TEA) at ambient conditions to hydrated Cu(RCOO)2 salts. The newly synthesized complexes have been characterized by elemental analyses, spectroscopic techniques (IR and UV-visible), magnetic susceptibility, single crystal X-ray structure determination and theoretical calculations, using a Difference Dedicated Configuration Interaction approach for the evaluation of magnetic coupling constants. In 1 and 2, the central copper atom lies on an inversion center, while in the polymorphs 3 and 4, the three metal centers are crystallographically independent. The zero-field splitting parameters of the trimeric compounds, D and E, were derived from high-field, high-frequency electron paramagnetic resonance spectra at temperatures ranging from 3 to 290 K and were used for the interpretation of the magnetic data. It was found that the dominant interaction between the terminal and central Cu sites J12 is ferromagnetic in nature in all complexes, even though differences have been found between the symmetrical or quasi-symmetrical complexes 1-3 and non-symmetrical complex 4, while the interaction between the terminal centers, J23, is negligible.

  11. ON THE FORMATION AND ISOMER SPECIFIC DETECTION OF PROPENAL (C{sub 2}H{sub 3}CHO) AND CYCLOPROPANONE (c-C{sub 3}H{sub 4}O) IN INTERSTELLAR MODEL ICES—A COMBINED FTIR AND REFLECTRON TIME-OF-FLIGHT MASS SPECTROSCOPIC STUDY

    SciTech Connect

    Abplanalp, Matthew J.; Borsuk, Aleca; Jones, Brant M.; Kaiser, Ralf I.

    2015-11-20

    The formation routes of two structural isomers—propenal (C{sub 2}H{sub 3}CHO) and cyclopropanone (c-C{sub 3}H{sub 4}O)—were investigated experimentally by exposing ices of astrophysical interest to energetic electrons at 5.5 K thus mimicking the interaction of ionizing radiation with interstellar ices in cold molecular clouds. The radiation-induced processing of these ices was monitored online and in situ via Fourier Transform Infrared spectroscopy and via temperature programmed desorption exploiting highly sensitive reflectron time-of-flight mass spectrometry coupled with single photon ionization in the post irradiation phase. To selectively probe which isomer(s) is/are formed, the photoionization experiments were conducted with 10.49 and 9.60 eV photons. Our studies provided compelling evidence on the formation of both isomers—propenal (C{sub 2}H{sub 3}CHO) and cyclopropanone (c-C{sub 3}H{sub 4}O)—in ethylene (C{sub 2}H{sub 4})—carbon monoxide (CO) ices forming propenal and cyclopropanone at a ratio of (4.5 ± 0.9):1. Based on the extracted reaction pathways, the cyclopropanone molecule can be classified as a tracer of a low temperature non-equilibrium chemistry within interstellar ices involving most likely excited triplet states, whereas propenal can be formed at ultralow temperatures, but also during the annealing phase via non-equilibrium as well as thermal chemistry (radical recombination). Since propenal has been detected in the interstellar medium and our laboratory experiments demonstrate that both isomers originated from identical precursor molecules our study predicts that the hitherto elusive second isomer—cyclopropanone—should also be observable toward those astronomical sources such as Sgr B2(N) in which propenal has been detected.

  12. Metal-ligand interaction of lanthanides with coumarin derivatives. Part I. Complexation of 3-(1-aminoethylidene)-2H-chromene-2,4(3H)-dione with La(III), Ce(III), Nd(III) and Ho(III).

    PubMed

    Swiatek, Mirosława; Kufelnicki, Aleksander

    2012-01-01

    Solutions of lanthanum(III), cerium(III), neodymium(III) and holmium(III) nitrates with 3-(1-aminoethylidene)-2H-chromene-2,4(3H)-dione (1) in 10% v/v dioxane-water medium were used. Coordination modes of 1 with the selected lanthanides have been examined. Hydroxo-complexes with deprotonated water molecules from the inner coordination sphere have been stated in basic medium. Stability constants of the forming complex species were determined by potentiometric titrations using Superquad and Hyperquad2003 programs. The most stable complexes are formed with La(III). The UV-Vis spectra of the Nd(III)-1 system confirmed the L:M = 1:1 stoichiometry evaluated potentiometrically.

  13. Syntheses of 3-[(Alkylamino)methylene]-6-methylpyridine-2,4(1H,3H)-diones, 3-Substituted 7-Methyl-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione Fluorescence Probes, and Tetrahydro-1H,9H-2,10-dioxa-9-azaanthracen-1-ones

    PubMed Central

    Prior, Allan M.; Gunaratna, Medha J.; Kikuchi, Daisuke; Desper, John; Kim, Yunjeong; Chang, Kyeong-Ok; Maezawa, Izumi; Jin, Lee-Way; Hua, Duy H.

    2014-01-01

    Various condensation and ring-closing reactions were used for the syntheses of 3-[(alkylamino)methylene]-6-methylpyri-dine-2,4(1H,3H)-diones, bicyclic pyridinones, and tricyclic morpholinopyrones. For instance, 3-[(dialkylamino)methylene]-6-methylpyridine-2,4(1H,3H)-diones were synthesized from the condensation of dialkylamines and 3-formyl-4-hydroxy-6-methylpyridin-2(1H)-one. 3-Formyl-4-hydroxy-6-methylpyridin-2(1H)-one, derived from 3-formyl-4-hydroxy-6-methylpyridin-2(1H)-one, was used to construct a number of bicyclic pyridinones via a one-pot Knoevenagal and intramolecular lactonization reaction. Tricyclic morpholinopyrones were assembled from a dialkylation reaction involving a dinucleophile, 3-amino-4-hydroxy-6-methyl-2H-pyran-2-one, and a dielectrophile, trans-3,6-dibromocyclohexene. Depending on the reaction conditions, isomers of the tricyclic molecules can be selectively produced, and their chemical structures were unequivocally determined using single-crystal X-ray analyses and 2D COSY spectroscopy. The fluorescently active bicyclic pyridinone compounds show longer absorption (368–430 nm; maximum) and emission wavelengths (450–467 nm) than those of 7-amino-4-methylcoumarin (AMC; λabs,max = 350 nm; λem = 430 nm) suggesting these molecules, such as 3-(2-aminoacetyl)-7-methyl-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione, can be employed as fluorescence activity based probes for tracing biological pathways. PMID:25177061

  14. Managing 4-H Volunteer Staff: A 4-H Intern Report.

    ERIC Educational Resources Information Center

    Martin, Hope M.

    The 4-H intern report organizes concepts and materials to aid the extension worker in his role as coordinator and trainer of 4-H volunteer staff. A 10-item task analysis of the extension worker--4-H and youth--as volunteer leader coordinator is presented. The importance of managing a volunteer staff is touched upon, and models for job descriptions…

  15. Molecular precursors for the preparation of homogenous zirconia-silica materials by hydrolytic sol-gel process in organic media. Crystal structures of [Zr{OSi(O(t)Bu)3}4(H2O)2]·2H2O and [Ti(O(t)Bu){OSi(O(t)Bu)3}3].

    PubMed

    Dhayal, Veena; Chaudhary, Archana; Choudhary, Banwari Lal; Nagar, Meena; Bohra, Rakesh; Mobin, Shaikh M; Mathur, Pradeep

    2012-08-21

    [Zr(OPr(i))(4)·Pr(i)OH] reacts with [HOSi(O(t)Bu)(3)] in anhydrous benzene in 1:1 and 1:2 molar ratios to afford alkoxy zirconosiloxane precursors of the types [Zr(OPr(i))(3){OSi(O(t)Bu)(3)}] (A) and [Zr(OPr(i))(2){OSi(O(t)Bu)(3)}(2)] (B), respectively. Further reactions of A or B with glycols in 1:1 molar ratio afforded six chemically modified precursors of the types [Zr(OPr(i))(OGO){OSi(O(t)Bu)(3)}] (1A-3A) and [Zr(OGO){OSi(O(t)Bu)(3)}(2)] (1B-3B), respectively [where G = (-CH(2)-)(2) (1A, 1B); (-CH(2)-)(3) (2A, 2B) and (-CH(2)CH(2)CH(CH(3)-)} (3A, 3B)]. The precursors A and B are viscous liquids, which solidify on ageing whereas the other products are all solids, soluble in common organic solvents. These were characterized by elemental analyses, molecular weight measurements, FAB mass, FTIR, (1)H, (13)C and (29)Si-NMR studies. Cryoscopic molecular weight measurements of all the products, as well as the FAB mass studies of 3A and 3B, indicate their monomeric nature. However, FAB mass spectrum of the solidified B suggests that it exists in dimeric form. Single crystal structure analysis of [Zr{OSi(O(t)Bu)(3)}(4)(H(2)O)(2)]·2H(2)O (3b) (R(fac) = 11.9%) as well as that of corresponding better quality crystals of [Ti(O(t)Bu){OSi(O(t)Bu)(3)}(3)] (4) (R(fac) = 5.97%) indicate the presence of a M-O-Si bond. TG analyses of 3A, B, and 3B indicate the formation of zirconia-silica materials of the type ZrO(2)·SiO(2) from 3A and ZrO(2)·2SiO(2) from B or 3B at low decomposition temperatures (≤200 °C). The desired homogenous nano-sized zirconia-silica materials [ZrO(2)·nSiO(2)] have been obtained easily from the precursors A and B as well as from the glycol modified precursors 3A and 3B by hydrolytic sol-gel process in organic media without using any acid or base catalyst, and these were characterized by powder XRD patterns, SEM images, EDX analyses and IR spectroscopy.

  16. Keeping 4-H Volunteer Leaders.

    ERIC Educational Resources Information Center

    Smith, Keith L.; Bigler, Nancy M.

    1985-01-01

    This study showed that continuing and discontinuing volunteer 4-H Club leaders are significantly different in their geographical location, number of children in family, and number of children in family who have participated in 4-H. These variables may affect the volunteer's decision to continue serving as a 4-H Club leader. (Author/CT)

  17. Astronomical identification of the C3H radical

    NASA Technical Reports Server (NTRS)

    Thaddeus, P.; Gottlieb, C. A.; Hjalmarson, A.; Johansson, L. E. B.; Irvine, W. M.

    1985-01-01

    The C3H radical has been identified in the millimeter-wave spectra of IRC +10216 and TMC-1. In IRC +10216, four rotational transitions have been observed, three in the lower fine-structure ladder (2Pi1/2) and one in the upper (2Pi3/2), each a resolved or partially resolved lambda-doublet. In TMC-1, both lambda components of the lowest lying 3/2-1/2 transition of the 2Pi1/2 ladder have been observed, each with well-resolved hfs. In IRC +10216, the excitation of C3H is similar to that of SiCC: the rotational temperature Trot within the 2Pi1/2 ladder is low (8.5 K), because of rapid radiative decay, while Trot across the ladders is high (about 52 K), because interconnecting far-IR radiative transitions are only weakly permitted. The column density of C3H in IRC +10216 averaged over the estimated source diameter of 84 arcsec is 2.8 x 10 to the 13th/sq cm, an order of magnitude less than that of C2H and C4H.

  18. Calculational and Experimental Investigations of the Pressure Effects on Radical - Radical Cross Combinations Reactions: C2H5 + C2H3

    NASA Technical Reports Server (NTRS)

    Fahr, Askar; Halpern, Joshua B.; Tardy, Dwight C.

    2007-01-01

    Pressure-dependent product yields have been experimentally determined for the cross-radical reaction C2H5 + C2H3. These results have been extended by calculations. It is shown that the chemically activated combination adduct, 1-C4H8*, is either stabilized by bimolecular collisions or subject to a variety of unimolecular reactions including cyclizations and decompositions. Therefore the "apparent" combination/disproportionation ratio exhibits a complex pressure dependence. The experimental studies were performed at 298 K and at selected pressures between about 4 Torr (0.5 kPa) and 760 Torr (101 kPa). Ethyl and vinyl radicals were simultaneously produced by 193 nm excimer laser photolysis of C2H5COC2H3 or photolysis of C2H3Br and C2H5COC2H5. Gas chromatograph/mass spectrometry/flame ionization detection (GC/MS/FID) were used to identify and quantify the final reaction products. The major combination reactions at pressures between 500 (66.5 kPa) and 760 Torr are (1c) C2H5 + C2H3 yields 1-butene, (2c) C2H5 + C2H5 yields n-butane, and (3c) C2H3 + C2H3 yields 1,3-butadiene. The major products of the disproportionation reactions are ethane, ethylene, and acetylene. At moderate and lower pressures, secondary products, including propene, propane, isobutene, 2-butene (cis and trans), 1-pentene, 1,4-pentadiene, and 1,5-hexadiene are also observed. Two isomers of C4H6, cyclobutene and/or 1,2-butadiene, were also among the likely products. The pressure-dependent yield of the cross-combination product, 1-butene, was compared to the yield of n-butane, the combination product of reaction (2c), which was found to be independent of pressure over the range of this study. The [ 1-C4H8]/[C4H10] ratio was reduced from approx.1.2 at 760 Torr (101 kPa) to approx.0.5 at 100 Torr (13.3 kPa) and approx.0.1 at pressures lower than about 5 Torr (approx.0.7 kPa). Electronic structure and RRKM calculations were used to simulate both unimolecular and bimolecular processes. The relative importance

  19. Part 1. Spectrophotometric determination of trace mercury (II) in dental-unit wastewater and fertilizer samples using the novel reagent 6-hydroxy-3-(2-oxoindolin-3-ylideneamino)-2-thioxo-2H-1,3-thiazin-4(3H)-one and the dual-wavelength beta-correction spectrophotometry.

    PubMed

    Hamza, A; Bashammakh, A S; Al-Sibaai, A A; Al-Saidi, H M; El-Shahawi, M S

    2010-06-15

    A simple and low cost method was developed and validated for the determination of trace mercury (II) ions in dental-unit wastewater and fertilizer samples. The method was based upon the reaction of mercury (II) ions with the novel reagent 6-hydroxy-3-(2-oxoindolin-3-ylideneamino)-2-thioxo-2H-1,3-thiazin-4(3H)-one, the formed complex shows an absorption maximum at 505 nm (lambda(max)) in Britton-Robinson (B-R) buffer (pH 4-6).The corrected absorbance of the formed complex at lambda(max) was obtained employing beta-correction spectrophotometric method. Beer's-Lambert law and Ringbom's plots of the colored Hg-reagent complex were obeyed in the concentration range of 0.2-2.0 and 0.32-0.96 microg mL(-1) mercury (II) ions, respectively with a relative standard deviation in the range of 2.1+/-1.3%. The limits of detection (LOD) and quantification (LOQ) of the procedure were 0.026 and 0.086 microg mL(-1) Hg(2+), respectively. The proposed method was applied for the analysis of mercury (II) in dental-unit wastewater and fertilizer samples. The validation of the method was tested by comparison with the data obtained by the inductively coupled plasma-mass spectrometry (ICP-MS). The statistical treatment of data in terms of Student's t-tests and variance ratio f-tests has revealed no significance differences. PMID:20149525

  20. Synthesis, characterization and magnetic property of a new 3D iron phosphite: |C{sub 4}N{sub 3}H{sub 14}|[Fe{sub 3}(HPO{sub 3}){sub 4}F{sub 2}(H{sub 2}O){sub 2}] with intersecting channels

    SciTech Connect

    Qiao Jian; Zhang Lirong; Yu Yang; Li Guanghua; Jiang Tianchan; Huo Qisheng; Liu Yunling

    2009-07-15

    A new open-framework iron (III) phosphite |C{sub 4}N{sub 3}H{sub 14}|[Fe{sub 3}(HPO{sub 3}){sub 4}F{sub 2}(H{sub 2}O){sub 2}] has been solvothermally synthesized by using diethylenetriamine (DETA) as the structure-directing agent. Single-crystal X-ray diffraction analysis reveals that the compound crystallizes in the monoclinic space group C2/c having unit cell parameters a=12.877(3) A, b=12.170(2) A, c=12.159(2) A, beta=93.99(3){sup o}, V=1900.9(7) A{sup 3}, and Z=4 with R{sub 1}=0.0447, wR{sub 2}=0.0958. The complex structure consists of HPO{sub 3} pseudo-tetrahedra and {l_brace}Fe{sub 3}O{sub 14}F{sub 2}{r_brace} trimer building units. The assembly of these building units generates 3D inorganic framework with intersecting 6-, 8-, and 10-ring channels. The DETA cations are located in the 10-ring channels linked by hydrogen bonds. The Moessbauer spectrum shows that there exhibit two crystallographically independent iron (III) atoms. And the magnetic investigation shows the presence of antiferromagnetic interactions. Further characterization of the title compound was performed using X-ray powder diffraction (XRD), infrared (IR) spectra, thermal gravimetric analyses (TGA), inductively coupled plasma (ICP) and elemental analyses. - Graphical abstract: A new three-dimensional iron phosphite with intersecting 6-, 8-, 10-ring channels has been solvothermally synthesized by using diethylenetriamine (DETA) as the structure-directing agent.

  1. Experimental ion mobility measurements in Ar-C2H6 mixtures

    NASA Astrophysics Data System (ADS)

    Cortez, A. F. V.; Garcia, A. N. C.; Neves, P. N. B.; Santos, F. P.; Borges, F. I. G. M.; Barata, J. A. S.; Conde, C. A. N.

    2013-12-01

    In this paper we present the experimental results for the mobility of ions in argon-ethane gaseous mixtures (Ar-C2H6) for pressures ranging from 6 to 10 Torr and for reduced electric fields in the 10 Td to 25 Td range, at room temperature. For Ar concentrations below 80% two peaks were observed in the time of arrival spectra which were attributed to ion species with 3-carbons (C3H7+, C3H8+ and C3H9+) and with 4-carbons (which includes C4H7+, C4H9+, C4H10+ and C4H12+ ions). For Ar concentrations above 80% a third peak appears, which may belong to C5H11+. The time of arrival spectra for Ar concentrations of 80%, 85%, 90% and 95% are displayed in the present paper as well as the reduced mobilities determined from the peaks observed for a typical reduced electric field used in gaseous detectors (E/N = 15 Td).

  2. The reaction H + C4H2 - Absolute rate constant measurement and implication for atmospheric modeling of Titan

    NASA Technical Reports Server (NTRS)

    Nava, D. F.; Mitchell, M. B.; Stief, L. J.

    1986-01-01

    The absolute rate constant for the reaction H + C4H2 has been measured over the temperature (T) interval 210-423 K, using the technique of flash photolysis-resonance fluorescence. At each of the five temperatures employed, the results were independent of variations in C4H2 concentration, total pressure of Ar or N2, and flash intensity (i.e., the initial H concentration). The rate constant, k, was found to be equal to 1.39 x 10 to the -10th exp (-1184/T) cu cm/s, with an error of one standard deviation. The Arrhenius parameters at the high pressure limit determined here for the H + C4H2 reaction are consistent with those for the corresponding reactions of H with C2H2 and C3H4. Implications of the kinetic carbon chemistry results, particularly those at low temperature, are considered for models of the atmospheric carbon chemistry of Titan. The rate of this reaction, relative to that of the analogous, but slower, reaction of H + C2H2, appears to make H + C4H2 a very feasible reaction pathway for effective conversion of H atoms to molecular hydrogen in the stratosphere of Titan.

  3. Synthesis, structural characterization, and solid-state NMR spectroscopy of [Ga(phen)(H{sub 1.5}PO{sub 4}){sub 2}].H{sub 2}O and [Ga(phen)(HPO{sub 4})(H{sub 2}PO{sub 4})].1.5H{sub 2}O (phen=1, 10-phenanthroline), two organic-inorganic hybrid compounds with 1-D chain structures

    SciTech Connect

    Chang, W.-J.; Chang, P.-C.; Kao, H.-M.; Lii, K.-H. . E-mail: liikh@cc.ncu.edu.tw

    2005-12-15

    Two new organic-inorganic hybrid compounds, [Ga(phen)(H{sub 1.5}PO{sub 4}){sub 2}].H{sub 2}O (1) and [Ga(phen)(HPO{sub 4})(H{sub 2}PO{sub 4})].1.5H{sub 2}O (2) (phen=1,10-phenanthroline), have been synthesized by hydrothermal methods and structurally characterized by single-crystal X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, and solid-state NMR spectroscopy. Their structures consist of 1-D chains of strictly alternating GaO{sub 4}N{sub 2} octahedra and phosphate tetrahedra. The phen ligands in both compounds bind in a bidentate fashion to the gallium atoms and the 1-D structures extend into 3-D supramolecular arrays via {pi}-{pi} stacking interactions of phen ligands and hydrogen bonds. {sup 2}H MAS NMR spectroscopy was applied to study the deuterated sample of 1 which contains very short hydrogen bonds with an O-O distance of 2.406(2) A. Crystal data for 1: monoclinic, space group C2/c (No. 15), a=11.077(1) A, b=21.496(2) A, c=7.9989(7) A, {beta}=127.211(2){sup o}, and Z=4. The crystal symmetry is the same for 2 as for 1 except a=27.555(2) A, b=6.3501(5) A, c=21.327(2) A, {beta}=122.498(1){sup o}, and Z=8.

  4. 4-H Club Goat Guide.

    ERIC Educational Resources Information Center

    Brown, R. Kipp

    This guide provides information for 4-H Club members who have decided on a club goat project. Topics include general information in the following areas: show rules; facilities and equipment (barns/sheds, fences, feeders, water containers, and equipment); selection (structural correctness, muscle, volume and capacity, style and balance, and growth…

  5. Protonation of metal hydrides by strong acids. Formation of an equilibrium mixture of dihydride and dihydrogen complexes from protonation of Cp{sup *}Os(CO){sub 2}H. Structural characterization of [CpW(CO){sub 2}(PMe{sub 3})(H){sub 2}]{sup +}OTf{sup -}

    SciTech Connect

    Bullock, R.M.; Song, J.S.; Szalda, D.J.

    1996-05-14

    Cp{sup *}Os(CO){sub 2}H is protonated by triflic acid (HOTf) in CD{sub 2} Cl{sub 2} solution to give an equilibrium mixture (87:13) of the dihydride [Cp{sup *}Os(CO){sub 2}(H){sub 2}]{sup +}OTf{sup -} and the dihydrogen complex [Cp{sup *}Os(CO){sub 2}({eta}{sup 2}-H{sub 2})]{sup +}OTf{sup -}. The acidity of these protonated species is roughly comparable to HOTf, since only partial protonation was observed. In the absence of acid, the T{sub 1} of the hydride ligand of Cp{sup *}Os(CO){sub 2}H is 5.9 s at -80{degree}C. When all of the Cp{sup *}Os(CO){sub 2}H is protonated by excess HOTf,the T{sub l} (-80{degree}C) of the terminal hydride ligands of [Cp{sup *}Os(CO){sub 2}(H){sub 2}]{sup +}OTf{sup -} is 2.8 s, while the T{sub l} of the dihydrogen ligand of [Cp{sup *}Os(CO){sub 2}({eta}{sup 2}-H{sub 2})]{sup +} OTf{sup -} is 19 ms, (-80{degree}C). The observed T{sub l} values of the Os-H resonance of Cp{sup *}Os(CO){sub 2}H decreased significantly under conditions of partial protonation, indicating intermolecular proton transfer among [Cp{sup *}Os(CO){sub 2}({eta}{sup 2}H{sub 2})]{sup +}OTf{sup -}, [Cp{sup *}Os(CO){sub 2}(H){sub 2}]{sup +}OTf{sup -}, Cp{sup *}Os(CO){sub 2}H, and HOTf. IR spectra indicate that the two CO ligands of [Cp{sup *}Os(CO){sub 2}(H){sub 2}]{sup +} (and hence the hydrides as well) are trans to each other in the four-legged piano stool geometry. 62 refs., 6 figs., 8 tabs.

  6. Chloride-based SiC growth on a-axis 4H-SiC substrates

    NASA Astrophysics Data System (ADS)

    Booker, Ian D.; Farkas, Ildiko; Ivanov, Ivan G.; Hassan, Jawad ul; Janzén, Erik

    2016-01-01

    SiC has, during the last few years, become increasingly important as a power-device material for high voltage applications. The thick, low-doped voltage-supporting epitaxial layer is normally grown by CVD on 4° off-cut 4H-SiC substrates at a growth rate of 5 - 10 μm / h using silane (SiH4) and propane (C3H8) or ethylene (C2H4) as precursors. The concentrations of epitaxial defects and dislocations depend to a large extent on the underlying substrate but can also be influenced by the actual epitaxial growth process. Here we will present a study on the properties of the epitaxial layers grown by a Cl-based technique on an a-axis (90° off-cut from c-direction) 4H-SiC substrate.

  7. Extended networks, porous sheets, and chiral frameworks. Thorium materials containing mixed geometry anions: Structures and properties of Th(SeO{sub 3})(SeO{sub 4}), Th(IO{sub 3}){sub 2}(SeO{sub 4})(H{sub 2}O){sub 3}.H{sub 2}O, and Th(CrO{sub 4})(IO{sub 3}){sub 2}

    SciTech Connect

    Sullens, Tyler A.; Almond, Philip M.; Byrd, Jessica A.; Beitz, James V.; Bray, Travis H.; Albrecht-Schmitt, Thomas E. . E-mail: albreth@auburn.edu

    2006-04-15

    Three novel Th(IV) compounds containing heavy oxoanions, Th(SeO{sub 3})(SeO{sub 4}) (1), Th(IO{sub 3}){sub 2}(SeO{sub 4})(H{sub 2}O){sub 3}.H{sub 2}O (2), and Th(CrO{sub 4})(IO{sub 3}){sub 2} (3), have been synthesized under mild hydrothermal conditions. Each of these three distinct structures contain trigonal pyramidal and tetrahedral oxoanions. Compound 1 adopts a three-dimensional structure formed from ThO{sub 9} tricapped trigonal prisms, trigonal pyramidal selenite, SeO{sub 3}{sup 2-}, anions containing Se(IV), and tetrahedral selenate, SeO{sub 4}{sup 2-}, anions containing Se(VI). The structure of 2 contains two-dimensional porous sheets and occluded water molecules. The Th centers are found as isolated ThO{sub 9} tricapped trigonal prisms and are bound by four trigonal pyramidal iodate anions, two tetrahedral selenate anions, and three coordinating water molecules. In the structure of 3, the Th(IV) cations are found as ThO{sub 9} tricapped trigonal prisms. Each Th center is bound by six IO{sub 3}{sup 1-} anions and three CrO{sub 4}{sup 2-} anions forming a chiral three-dimensional structure. Second-harmonic generation of 532nm light from 1064nm radiation by a polycrystalline sample of 3 was observed. Crystallographic data (193K, MoK{alpha}, {lambda}=0.71073): 1; monoclinic, P2{sub 1}/c; a=7.0351(5)A, b=9.5259(7)A, c=9.0266(7)A, {beta}=103.128(1), Z=4, R(F)=2.47% for 91 parameters with 1462 reflections with I>2{sigma}(I); 2, monoclinic, P2{sub 1}/n, a=7.4889(9)A, b=8.002(1)A, c=20.165(3)A, {beta}=100.142(2), Z=4, R(F)=4.71% for 158 parameters with 2934 reflections with I>2{sigma}(I); 3, orthorhombic, P2{sub 1}2{sub 1}2{sub 1}, a=7.3672(5)A, b=9.3617(6)A, c=11.9201(7)A, Z=4, R(F)=2.04% for 129 parameters with 2035 reflections with I>2{sigma}(I)

  8. Synthesis, spectral characterizations and biological studies of transition metal mixed ligand complexes: X-ray crystal structures of [Cu(oda)(Bipy)(H 2O)]·4H 2O and [VO(oda)(Bipy)]·2H 2O

    NASA Astrophysics Data System (ADS)

    Siddiqi, Zafar A.; Sharma, Prashant K.; Shahid, M.; Khalid, Mohd.; Kumar, Sarvendra

    2011-05-01

    The ternary complexes of stoichiometries [M(oda)(Bipy)H 2O]· xH 2O [M = Cu ( 1), x = 4; Co ( 2), x = 2; Ni ( 3), x = 4 or Cr ( 4), x = 3] and [VO(oda)(Bipy)]·2H 2O ( 5), where H 2oda = oxydiacetic acid and Bipy = 2,2'-bipyridine, were prepared and characterized employing elemental, FAB-Mass, FT-IR, EPR, 1H and 13C NMR spectroscopic analyses. X-ray crystallography of ( 1) and ( 5) indicated a six coordinate distorted geometry. The antimicrobial activities of the complexes were investigated against Escherichia coli(k-12), Bacillus subtilis (MTC-121), Staphylococcus aureus (IOASA-22), Salmonella typhymurium (MTCC-98), Candida albicans, Aspergillus fumigatus and Penicillium marneffei. The superoxide dismutase (SOD) mimic activity of the Cu(II) complex ( 1) was assessed employing NBT assay.

  9. Optimizing Synthesis of Na2Ti2SiO7 - 2H2O (Na-CST) and Ion Exchange Pathways for Cs0.4H1.6Ti2SiO7 - H2O (Cs-CST) Determined from in situ Synchrotron X-ray Powder Diffraction

    SciTech Connect

    Celestian,A.; Medvedev, D.; Tripathi, A.; Parise, J.; Clearfield, A.

    2005-01-01

    Observation of wide angle diffraction data collected in situ during previous synthesis of Na-CST (Na{sub 2}Ti{sub 2}SiO{sub 7}-2H{sub 2}O) showed initial crystallization of a precursor phase (SNT) at 30 C followed by conversion to CST after 1 h at 220 C. In situ studies of Cs{sup +} ion exchange into the H{sup +} form of CST showed a site-by-site ion exchange pathway accompanied by a simultaneous structural transition from P4{sub 2}/mbc (cell parameters a = 11.0690(6) Angstroms, c = 11.8842(6) Angstroms) to P4{sub 2}/mcm (cell parameters a = 7.847(2) Angstroms, c = 11.9100(6) Angstroms). After approximately 18% Cs{sup +} exchange into site designated Cs2 in space group P4{sub 2}/mcm, a site designated Cs1 in space group P4{sub 2}/mcm began to fill at the center of the 8MR windows until a maximum of approximately 22% exchange was achieved for Cs1. Bond valence sums of site Cs1 to framework O{sup 2-} are 1.00 v.u., while bond valence sums of site Cs2 to framework O{sup 2-} are 0.712 v.u. suggesting Cs1 to have a more stable bonding environment.

  10. Optimizing synthesis of Na 2Ti 2SiO 7 · 2H 2O (Na-CST) and ion exchange pathways for Cs 0.4H 1.6Ti 2SiO 7 · H 2O (Cs-CST) determined from in situ synchrotron X-ray powder diffraction

    NASA Astrophysics Data System (ADS)

    Celestian, A. J.; Medvedev, D. G.; Tripathi, A.; Parise, J. B.; Clearfield, A.

    2005-08-01

    Observation of wide angle diffraction data collected in situ during synthesis of Na-CST (Na2Ti2O3SiO4 · 2H2O) showed initial crystallization of a precursor phase (SNT) at 30 °C followed by conversion to CST after 1 h at 220 °C. In situ studies of Cs+ ion exchange into the H+ form of CST showed a site-by-site ion exchange pathway accompanied by a simultaneous structural transition from P42/mbc (cell parameters a = 11.0690(6) Å, c = 11.8842(6) Å) to P42/mcm (cell parameters a = 7.847(2) Å, c = 11.9100(6) Å). After approximately 18% Cs+ exchange into site designated Cs2 in space group P42/mcm, a site designated Cs1 in space group P42/mcm began to fill at the center of the 8MR windows until a maximum of approximately 22% exchange was achieved for Cs1. Bond valence sums of site Cs1 to framework O2- are 1.00 v.u., while bond valence sums of site Cs2 to framework O2- are 0.712 v.u. suggesting Cs1 to have a more stable bonding environment.

  11. 4-H in the 70's.

    ERIC Educational Resources Information Center

    Extension Service (USDA), Washington, DC.

    Developed under the leadership of the 1970 and 1971 Extension Committee on Organization and Policy 4-H Youth Subcommittees, the brochure offers a statement of potential and new directions for Extension 4-H youth programs. Opening sections deal with the functions of 4-H and balanced 4-H program expansion to serve seven million youth. Succeeding…

  12. Polynuclear complexes with bridging pyrophosphate ligands: synthesis and characterisation of {[(bipy)Cu(H2O)(mu-P2O7)Na2(H2O)6] x 4H2O}, {[(bipy)Zn-(H2O)(mu-P2O7)Zn(bipy)]2 x 14H2O} and {[(bipy)(VO)2]2(mu-P2O7)] x 5H2O}.

    PubMed

    Doyle, Robert P; Nieuwenhuyzen, Mark; Kruger, Paul E

    2005-12-01

    The reaction in water of M(II) ions (M = Cu, 1; Zn, 2; VO, 3) with 2,2'-bipyridine (bipy) followed by Na4P2O7 leads to the formation of three new complexes which feature the pyrophosphate anion, P2O7(4-), as a bridging ligand. Single crystal X-ray diffraction revealed 1 to be {[(bipy)Cu(H2O)(micro-P2O7)Na2(H2O)6] x 4H2O}, and 2 as a tetranuclear Zn(II) complex, {[(bipy)Zn(H2O)(micro-P2O7)Zn(bipy)]2 x 14H2O}. The structure of 1 consists of a mononuclear [(bipy)Cu(H2O)(P2O7)]2- unit that links via a pyrophosphate bridge to two Na atoms. The hydrated six-coordinate Na atoms themselves join together through bridging water molecules to generate a 2D Na-water sheet. The structure of 2 consists of a tetranuclear Zn(II) cluster (dimer-of-dimers) with two pyrophosphate ligands bridging between four metal centres. Adjacent clusters interact through face-to-face pi-pi interactions via the bipy ligands to yield a 2D sheet. Adjacent sheets pack in register to create channels, which are filled by the water molecules of crystallisation. An intricate 2D H-bonded water network separates adjacent sheets and encapsulates the tetranuclear clusters. Aspects of the pyrophosphate coordination modes in 1 and 2 are of structural relevance to those found within the inorganic pyrophosphatases. Compound 3, {[(bipy)(VO)2]2(micro-P2O7)] x 5H2O}, was isolated as an insoluble lime-green powder. Its dinuclear structure was elucidated from elemental and thermal analysis, magnetic susceptibility measurement and IR spectroscopy. The latter displayed characteristic bridging pyrophosphate and signature V=O stretches, which were corroborated by contrast to the IR spectra of 1 and 2 and through comparison with those found in the structurally characterised dinuclear complex, {[(bipy)Cu(H2O)]2(micro-P2O7) x 7H2O}, 4. PMID:16471055

  13. Metal ion interactions with nucleobases in the tetradentate 1,4,7,10-tetraazacyclododecane (cyclen)-ligand system: Crystal structures of [Cu(cyclen)(adeninato)]·ClO 4·2H 2O, [{Cu(cyclen)} 2(hypoxanthinato)]·(ClO 4) 3, [Cu(cyclen)(theophyllinato)] 3·(ClO 4) 3·2H 2O, and [Cu(cyclen)(xanthinato)]·(0.7ClO 4)·(0.3ClO 4)·3H 2O·(0.5H 2O) 3

    NASA Astrophysics Data System (ADS)

    Rahman, Md. Shahidur; Yuan, Hou Qun; Kikuchi, Takanori; Fujisawa, Ikuhide; Aoki, Katsuyuki

    2010-03-01

    Reaction of 1,4,7,10-tetraazacyclododecane (cyclen) and Cu(ClO 4) 2·6H 2O with nucleobases (adenine, hypoxanthine, xanthine, theophylline, cytosine, or uracil) under alkaline conditions gave four ternary cyclen-metal-nucleobase complexes, [Cu(cyclen)(adeninato)]·ClO 4·2H 2O ( 1), [{Cu(cyclen)} 2(hypoxanthinato)]·(ClO 4) 3 ( 2), [Cu(cyclen)(theophyllinato)] 3·(ClO 4) 3·2H 2O ( 3), and [Cu(cyclen)(xanthinato)]·(0.7ClO 4)·(0.3ClO 4)·3H 2O·(0.5H 2O) 3 ( 4), whose crystal structures were determined by X-ray diffraction. In the adenine complex 1, a cyclen-capped square-pyramidal Cu 2+ ion binds to an adeninato ligand through N(9) with the formation of an intramolecular interligand hydrogen bond between the secondary amino nitrogen of cyclen and N(3) of the base. In the hypoxanthine complex 2, two cyclen-capped Cu 2+ ions bind to a hypoxanthinato ligand, one through N(7) with the formation of an intramolecular N(cyclen)-H···O(6) hydrogen bond and the other through N(9) to form an intramolecular N(cyclen)-H···N(3) hydrogen bond. Similarly, in both the theophylline complex 3 and the xanthine complex 4, each cyclen-capped Cu 2+ ion binds to a theophyllinato or xanthinato ligand through N(7) with the formation of an intramolecular N(cyclen)-H···O(6) hydrogen bond. However, unlike in 2, steric constraints between amino group(s) of cyclen and the methyl group at N(3) of theophylline in 3 or the proton attached to N(9) of xanthine in 4 preclude the metal bonding to N(9) in 3 or N(3) in 4. The significance of intramolecular interligand interaction as a factor that affects metal-binding site(s) on nucleobases is emphasized.

  14. The composition of Saturn's atmosphere at northern temperate latitudes from Voyager IRIS spectra - NH3, PH3, C2H2, C2H6, CH3D, CH4, and the Saturnian D/H isotopic ratio

    NASA Technical Reports Server (NTRS)

    Courtin, R.; Gautier, D.; Marten, A.; Bezard, B.; Hanel, R.

    1984-01-01

    The vertical distributions and mixing ratios of minor constituents in the northern hemisphere of Saturn are investigated. Results are obtained for NH3, PH3, C2H2, C2H6, CH3D, and CH4; the D/H ratio is obtained from the CH4 and CH3D abundances. The NH3 mixing ratio in the upper atmosphere is found to be compatible with the saturated partial pressure. The inferred PH3/H2 ratio of 1.4 + or - 0.8 x 10 to the -6th is higher than the value derived from the solar P/H ratio. The stratospheric C2H2/H2 and C2H6/H2 ratios are, respectively, 2.1 + or - 1.4 x 10 to the -7th and 3.0 + or - 1.1 x 10 to the -6th; the latter decreases sharply below the 20-50 mbar level. The results for CH3D/H2 and CH4/H2 imply an enrichment of Saturn's upper atmosphere in carbon by a factor of at least three over the solar abundance. The interpretation of two NH3 lines in the five-micron window suggests a NH3/H2 ratio at the two bar level below the solar value.

  15. Synthesis, structure, and physical properties of [Sm(C{sub 6}NO{sub 2}H{sub 5}){sub 3}(H{sub 2}O){sub 2}]{sub 2n}.(H{sub 5}O{sub 2}){sub n}(ZnCl{sub 5}){sub n}(ZnCl{sub 4}){sub 2n}.(H{sub 2}O){sub 2n} with unprecedented ZnCl{sub 5}{sup 3-} species

    SciTech Connect

    Xie Yiming Chen Wentong; Wu Jihuai

    2008-08-15

    A novel bimetallic 4f-3d metal-isonicotinic acid inorganic-organic hybrid complex [Sm(C{sub 6}NO{sub 2}H{sub 5}){sub 3}(H{sub 2}O){sub 2}]{sub 2n}.(H{sub 5}O{sub 2}){sub n}(ZnCl{sub 5}){sub n}(ZnCl{sub 4}){sub 2n}.(H{sub 2}O){sub 2n} (1) has been synthesized via hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Complex 1 is characteristic of a one-dimensional polycationic chain-like structure and unprecedented ZnCl{sub 5}{sup 3-} species. Photoluminescent investigation reveals that the title complex displays interesting emissions in a wide region. Optical absorption spectra of 1 reveal the presence of an optical gap of 3.59 eV. - Graphical abstract: A novel bimetallic 4f-3d metal-isonicotinic acid inorganic-organic hybrid complex was synthesized. It is characteristic of a one-dimensional polycationic chain-like structure. Photoluminescent investigation reveals that the title complex displays interesting emissions in a wide region. Optical absorption spectra of 1 reveal the presence of a wide optical bandgap.

  16. Adult 4-H Volunteer Empowerment in 4-H Youth Development Settings

    ERIC Educational Resources Information Center

    Olsen, Pamela

    2009-01-01

    The primary purpose of this study was to determine which factors related to adult 4-H volunteer empowerment in 4-H youth development settings. This study examined the relationship of adult 4-H volunteers' perceived leadership styles of Oregon 4-H Youth Development Educators (YDE) to the adult 4-H volunteer sense of empowerment. In addition,…

  17. Engaging Library Partners in 4-H Programming

    ERIC Educational Resources Information Center

    Fields, Nia Imani; Rafferty, Elizabeth

    2012-01-01

    When most people think about 4-H, they remember county fairs, livestock programs, and agricultural education. While these programs are still prominent, 4-H has grown in order to meet the growing demands of today's youth. The organization has expanded services and programs to serve rural, suburban, and urban youth in every state in the U.S. 4-H is…

  18. Strengthening 4-H by Analyzing Enrollment Data

    ERIC Educational Resources Information Center

    Hamilton, Stephen F.; Northern, Angela; Neff, Robert

    2014-01-01

    The study reported here used data from the ACCESS 4-H Enrollment System to gain insight into strengthening New York State's 4-H programming. Member enrollment lists from 2009 to 2012 were analyzed using Microsoft Excel to determine trends and dropout rates. The descriptive data indicate declining 4-H enrollment in recent years and peak…

  19. Rapid and convenient preparation of (4-/sup 3/H)NADP and stereospecifically tritiated NADP/sup 3/H

    SciTech Connect

    Moran, R.G.; Sartori, P.; Reich, V.

    1984-04-01

    The enzymatic preparation and chromatographic purification of (4-/sup 3/H)NADP and NADPH stereospecifically labeled with /sup 3/H on either the A or B faces at position 4 have been simplified. Commercially available (1-/sup 3/H)glucose was used as a starting material for the sequential synthesis of (4B-/sup 3/H)NADPH, (4-/sup 3/H)NADP, and (4A-/sup 3/H)NADPH. These products were rapidly purified by step elution of DEAE-cellulose minicolumns so that (4B-/sup 3/H)NADPH was produced and purified from (1-/sup 3/H)glucose in 2 h, (4-/sup 3/H)NADP in 5 h, and (4A-/sup 3/H)NADPH in 8 h. Yields of these products were 65 to 88% starting with (1-/sup 3/H)glucose. Analysis of the products by high-performance liquid chromatography indicated radiochemical purities of 82-95% for these compounds and specific activities equivalent to that of the starting material (10-15 Ci/mmol). 15 references.

  20. THE ABUNDANCE OF C{sub 3}H{sub 2} AND OTHER SMALL HYDROCARBONS IN THE DIFFUSE INTERSTELLAR MEDIUM

    SciTech Connect

    Liszt, Harvey; Sonnentrucker, Paule; Cordiner, Martin; Gerin, Maryvonne

    2012-07-10

    Hydrocarbons are ubiquitous in the interstellar medium, observed in diverse environments ranging from diffuse to molecular dark clouds and strong photon-dominated regions near H II regions. Recently, two broad diffuse interstellar bands (DIBs) at 4881 A and 5450 A were attributed to the linear version of propynylidene l-C{sub 3}H{sub 2}, a species whose more stable cyclic conformer c-C{sub 3}H{sub 2} has been widely observed in the diffuse interstellar medium at radio wavelengths. This attribution has already been criticized on the basis of indirect plausibility arguments because the required column densities are quite large, N(l-C{sub 3}H{sub 2})/E{sub B-V} =4 Multiplication-Sign 10{sup 14} cm{sup -2} mag{sup -1}. Here we present new measurements of N(l-C{sub 3}H{sub 2}) based on simultaneous 18-21 GHz Very Large Array absorption profiles of cyclic and linear C{sub 3}H{sub 2} taken along sight lines toward extragalactic radio-continuum background sources with foreground Galactic reddening E{sub B-V} = 0.1-1.6 mag. We find that N(l-C{sub 3}H{sub 2})/N(c-C{sub 3}H{sub 2}) Almost-Equal-To 1/15-1/40 and N(l-C{sub 3}H{sub 2})/E{sub B-V} Almost-Equal-To (2 {+-} 1) Multiplication-Sign 10{sup 11} cm{sup -2} mag{sup -1}, so that the column densities of l-C{sub 3}H{sub 2} needed to explain the DIBs are some three orders of magnitude higher than what is observed. We also find N(C{sub 4}H)/E{sub B-V} <1.3 Multiplication-Sign 10{sup 13} cm{sup -2} mag{sup -1} and N(C{sub 4}H{sup -})/E{sub B-V} <1 Multiplication-Sign 10{sup 11} cm{sup -2} mag{sup -1} (3{sigma}). Using available data for CH and C{sub 2}H we compare the abundances of small hydrocarbons in diffuse and dark clouds as a guide to their ability to contribute as DIB carriers over a wide range of conditions in the interstellar medium.

  1. Rate Constant and RRKM Product Study for the Reaction Between CH3 and C2H3 at T = 298K

    NASA Technical Reports Server (NTRS)

    Thorn, R. Peyton, Jr.; Payne, Walter A., Jr.; Chillier, Xavier D. F.; Stief, Louis J.; Nesbitt, Fred L.; Tardy, D. C.

    2000-01-01

    The total rate constant k1 has been determined at P = 1 Torr nominal pressure (He) and at T = 298 K for the vinyl-methyl cross-radical reaction CH3 + C2H3 yields products. The measurements were performed in a discharge flow system coupled with collision-free sampling to a mass spectrometer operated at low electron energies. Vinyl and methyl radicals were generated by the reactions of F with C2H4 and CH4, respectively. The kinetic studies were performed by monitoring the decay of C2H3 with methyl in excess, 6 < |CH3|(sub 0)/|C2H3|(sub 0) < 21. The overall rate coefficient was determined to be k1(298 K) = (1.02 +/- 0.53)x10(exp -10) cubic cm/molecule/s with the quoted uncertainty representing total errors. Numerical modeling was required to correct for secondary vinyl consumption by reactions such as C2H3 + H and C2H3 + C2H3. The present result for k1 at T = 298 K is compared to two previous studies at high pressure (100-300 Torr He) and to a very recent study at low pressure (0.9-3.7 Torr He). Comparison is also made with the rate constant for the similar reaction CH3 + C2H5 and with a value for k1 estimated by the geometric mean rule employing values for k(CH3 + CH3) and k(C2H3 + C2H3). Qualitative product studies at T = 298 K and 200 K indicated formation of C3H6, C2H2, and C2H5 as products of the combination-stabilization, disproportionation, and combination-decomposition channels, respectively, of the CH3 + C2H3 reaction. We also observed the secondary C4H8 product of the subsequent reaction of C3H5 with excess CH3; this observation provides convincing evidence for the combination-decomposition channel yielding C3H5 + H. RRKM calculations with helium as the deactivator support the present and very recent experimental observations that allylic C-H bond rupture is an important path in the combination reaction. The pressure and temperature dependencies of the branching fractions are also predicted.

  2. 4-H Clover Awareness Teaching Guide.

    ERIC Educational Resources Information Center

    Rutherford, Barbara; Leach, Jennifer

    The purpose of this teaching guide is to introduce children in grades 1-4 and their parents to the 4-H program without the long-term commitment of the traditional 4-H club. The 4-H Clover Awareness Program was designed as an after-school program; however, it could be used in other settings such as a day camp. In addition to introducing children to…

  3. The Toddler: 4-H Child Development Project.

    ERIC Educational Resources Information Center

    Francis, Connie M.

    Part of a series for 4-H members between 9 and 19 years of age, this age-graded guide is designed to help children and adolescents: (1) understand the toddler's physical, mental, social, and emotional growth; (2) learn to care for a toddler; and (3) choose types of play that toddlers enjoy. Contents include suggestions on projects that 4-H members…

  4. Strengthening 4-H Program Communication through Technology

    ERIC Educational Resources Information Center

    Robideau, Kari; Santl, Karyn

    2011-01-01

    Advances in technology are transforming how youth and parents interact with programs. The Strengthening 4-H Communication through Technology project was implemented in eight county 4-H programs in Northwest Minnesota. This article outlines the intentional process used to effectively implement technology in program planning. The project includes:…

  5. Community Development: A 4-H Intern Report.

    ERIC Educational Resources Information Center

    Scheneman, C. Stephen

    State progress reports on the 4-H/Community Development program, a 1973 nationwide Federally sponsored program facilitating youth in community decision-making processes, indicate that the program appears to be evolving into a viable and integral part of the total 4-H program. Although the report describes unique program features of various States,…

  6. A novel technique for measurement of thermal rate constants and temperature dependences of dissociative recombination: CO{sub 2}{sup +}, CF{sub 3}{sup +}, N{sub 2}O{sup +}, C{sub 7}H{sub 8}{sup +}, C{sub 7}H{sub 7}{sup +}, C{sub 6}H{sub 6}{sup +}, C{sub 6}H{sub 5}{sup +}, C{sub 5}H{sub 6}{sup +}, C{sub 4}H{sub 4}{sup +}, and C{sub 3}H{sub 3}{sup +}

    SciTech Connect

    Fournier, Joseph A.; Shuman, Nicholas S.; Melko, Joshua J.; Ard, Shaun G.; Viggiano, Albert A.

    2013-04-21

    A novel technique using a flowing afterglow-Langmuir probe apparatus for measurement of temperature dependences of rate constants for dissociative recombination (DR) is presented. Low ({approx}10{sup 11} cm{sup -3}) concentrations of a neutral precursor are added to a noble gas/electron afterglow plasma thermalized at 300-500 K. Charge exchange yields one or many cation species, each of which may undergo DR. Relative ion concentrations are monitored at a fixed reaction time while the initial plasma density is varied between 10{sup 9} and 10{sup 10} cm{sup -3}. Modeling of the decrease in concentration of each cation relative to the non-recombining noble gas cation yields the rate constant for DR. The technique is applied to several species (O{sub 2}{sup +}, CO{sub 2}{sup +}, CF{sub 3}{sup +}, N{sub 2}O{sup +}) with previously determined 300 K values, showing excellent agreement. The measurements of those species are extended to 500 K, with good agreement to literature values where they exist. Measurements are also made for a range of C{sub n}H{sub m}{sup +} (C{sub 7}H{sub 7}{sup +}, C{sub 7}H{sub 8}{sup +}, C{sub 5}H{sub 6}{sup +}, C{sub 4}H{sub 4}{sup +}, C{sub 6}H{sub 5}{sup +}, C{sub 3}H{sub 3}{sup +}, and C{sub 6}H{sub 6}{sup +}) derived from benzene and toluene neutral precursors. C{sub n}H{sub m}{sup +} DR rate constants vary from 8-12 Multiplication-Sign 10{sup -7} cm{sup 3} s{sup -1} at 300 K with temperature dependences of approximately T{sup -0.7}. Where prior measurements exist these results are in agreement, with the exception of C{sub 3}H{sub 3}{sup +} where the present results disagree with a previously reported flat temperature dependence.

  7. Relationships between 4-H Volunteer Leader Competencies and Skills Youth Learn in 4-H Programs

    ERIC Educational Resources Information Center

    Radhakrishna, Rama; Ewing, John C.

    2011-01-01

    This article examined the relationships between 4-H volunteer leader competencies and skills youth learn in 4-H. Using a descriptive-correlational research, the study reported found significant relationships between leadership competencies and skills youth learn in 4-H. Regression analysis revealed that two variables--skills and…

  8. Middle Childhood: 4-H Child Development Project.

    ERIC Educational Resources Information Center

    Francis, Connie M.

    Part of a series for 4-H members between 9 and 19 years of age, this age-graded guide to the development of 6-, 7-, and 8-year-olds aims to help 4-H members who are children and adolescents themselves: (1) understand the physical, mental, social, and emotional development of children in middle childhood; (2) learn to care for a child in middle…

  9. 4-H Textile Science Beginner Projects.

    ERIC Educational Resources Information Center

    Scholl, Jan

    This packet contains three 4-H projects for students beginning the sewing sequence of the textile sciences area. The projects cover basics of sewing using sewing machines, more difficult sewing machine techniques, and hand sewing. Each project provides an overview of what the student will learn, what materials are needed, and suggested projects…

  10. Multi-state 4-H energy program

    SciTech Connect

    Bakker, U.B.; Garthe, J.W.

    1983-06-01

    Through Agricultural Engineering 4-H Energy Programs, youth can be educated to gain knowledge, increase hands on skills, and incorporate energy-saving techniques into their lifestyle. In a pilot multi-state energy program tested by 13 states, youth increased their energy awareness.

  11. 4-H for Central City Minorities

    ERIC Educational Resources Information Center

    Paige, Joseph C.

    1970-01-01

    Joseph C. Paige is the Dean of Community Education and Director of Cooperative Extension Service of the only urban Land-Grant College, Federal City College, in Washington, D.C. Here he is interviewed about 4-H with children of poor ethnic groups in the District of Columbia. (NL)

  12. The Preschooler: 4-H Child Development Project.

    ERIC Educational Resources Information Center

    Francis, Connie M.

    Intended for 4-H participants who plan and implement activities in the area of child development, this booklet provides a study guide to help young learners: (1) gain understanding of a preschool child's physical, mental, social, and emotional growth; (2) learn to care for a preschooler and promote preschoolers' feelings of security and safety;…

  13. The Infant: 4-H Child Development Project.

    ERIC Educational Resources Information Center

    Francis, Connie M.

    This booklet for 4-H members who elect to undertake projects in child caregiving provides guidelines and information that help children and adolescents between 9 and 19 years of age: (1) understand infants' physical, mental, social, and emotional growth; (2) learn to care for a baby and promote feelings of security and safety; and (3) choose types…

  14. Separates. 4-H Textile Science Advanced Project.

    ERIC Educational Resources Information Center

    Scholl, Jan F.

    This booklet, which was developed for use by 4-H club members in Pennsylvania, contains the information required to sew a two-piece nontailored outfit and/or a one-or two-piece dress. The following are among the topics covered: the difference between a fiber and a fabric; properties of different fibers and fabrics; common jacket, neckline, sleeve,…

  15. 4-H Science Inquiry Video Series

    ERIC Educational Resources Information Center

    Green, Jeremy W.; Black, Lynette; Willis, Patrick

    2013-01-01

    Studies support science inquiry as a positive method and approach for 4-H professionals and volunteers to use for teaching science-based practices to youth. The development of a science inquiry video series has yielded positive results as it relates to youth development education and science. The video series highlights how to conduct science-rich…

  16. Effectiveness of the 4-H Program as Perceived by Parents of 4-H Participants

    ERIC Educational Resources Information Center

    Radhakrishna, Rama; Foley, Caitlin; Ingram, Patreese; Ewing, John C.

    2013-01-01

    The study reported here examined the effectiveness of 4-H program as perceived by parents of program participants. Descriptive-correlational design was employed, with data collected using a mail survey. Parents perceived 4-H as an effective organization in teaching life skills to youth. Significant relationships were found between parents'…

  17. National 4-H Common Measures: Initial Evaluation from California 4-H

    ERIC Educational Resources Information Center

    Lewis, Kendra M.; Horrillo, Shannon J.; Widaman, Keith; Worker, Steven M.; Trzesniewski, Kali

    2015-01-01

    Evaluation is a key component to learning about the effectiveness of a program. This article provides descriptive statistics of the newly developed National 4-H Common Measures (science, healthy living, citizenship, and youth development) based on data from 721 California 4-H youth. The measures were evaluated for their reliability and validity of…

  18. Microautoradiographic localisation of [3H]sucrose and [3H]mannitol in Robinia pseudoacacia pulvinar tissues during phytochrome-mediated nyctinastic closure.

    PubMed

    Moysset, L; Llambrich, E; López-Iglesias, C; Simón, E

    2006-11-01

    We have analysed the incorporation of [(3)H]sucrose and [(3)H]mannitol in pulvinar motor cells of Robinia pseudoacacia L. during phytochrome-mediated nyctinastic closure. Pairs of leaflets, excised 2 h after the beginning of the photoperiod, were fed with 50 mM [(3)H]sucrose or [(3)H]mannitol, irradiated with red (15 min) or far-red (5 min) light and placed in the dark for 2-3 h. Label uptake was measured in whole pulvini by liquid scintillation counting. The distribution of labelling in pulvinar sections was assessed by both light and electron microautoradiography. [(3)H]Sucrose uptake was twice that of [(3)H]mannitol incorporation in both red- and far-red-irradiated pulvini. In the autoradiographs, [(3)H]sucrose and [(3)H]mannitol labelling was localised in the area from the vascular bundle to the epidermis, mainly in vacuoles, cytoplasm, and cell walls. Extensor and flexor protoplasts displayed a different distribution of [(3)H]sucrose after red and far-red irradiation. Far-red light drastically reduced the [(3)H]sucrose incorporation in extensor protoplasts and caused a slight increase in internal flexor protoplasts. After red light treatment, no differences in [(3)H]sucrose labelling were found between extensor and flexor protoplasts. Our results indicate a phytochrome control of sucrose distribution in cortical motor cells and seem to rule out the possibility of sucrose acting as an osmoticum. PMID:17102931

  19. VIBRATIONALLY EXCITED C{sub 4}H

    SciTech Connect

    Cooksy, Andrew L.; Gottlieb, C. A.; Thaddeus, P.; Patel, Nimesh A.; Young, Ken H.; McCarthy, M. C.; Killian, T. C.

    2015-02-01

    Rotational spectra in four new excited vibrational levels of the linear carbon chain radical C{sub 4}H were observed in the millimeter band between 69 and 364 GHz in a low pressure glow discharge, and two of these were observed in a supersonic molecular beam between 19 and 38 GHz. All have rotational constants within 0.4% of the X{sup 2}Σ{sup +} ground vibrational state of C{sub 4}H and were assigned to new bending vibrational levels, two each with {sup 2}Σ and {sup 2}Π vibrational symmetry. The new levels are tentatively assigned to the 1ν{sub 6} and 1ν{sub 5} bending vibrational modes (both with {sup 2}Π symmetry), and the 1ν{sub 6}+1ν{sub 7} and 1ν{sub 5}+1ν{sub 6} combination levels ({sup 2}Σ symmetry) on the basis of the derived spectroscopic constants, relative intensities in our discharge source, and published laser spectroscopic and quantum calculations. Prior spectroscopic constants in the 1ν{sub 7} and 2ν{sub 7} levels were refined. Also presented are interferometric maps of the ground state and the 1ν{sub 7} level obtained with the Submillimeter Array (SMA) near 257 GHz which show that C{sub 4}H is present near the central star in IRC+10216. We found no evidence with the SMA for the new vibrationally excited levels of C{sub 4}H at a peak flux density averaged over a 3{sup ′′} synthesized beam of ⩾0.15 Jy/beam in the 294–296 and 304–306 GHz range, but it is anticipated that rotational lines in the new levels might be observed in IRC+10216 when ALMA attains its full design capability.

  20. Learnings and Recommendations to Advance 4-H Science Readiness

    ERIC Educational Resources Information Center

    Schmitt-McQuitty, Lynn; Carlos, Ramona; Smith, Martin H.

    2014-01-01

    The case study investigation reported here assessed California 4-H professionals' understanding of the essential components of effective 4-H Science programming as established by the National 4-H Science Mission Mandate. Using the 4-H Science Checklist as the basis for defining 4-H Science Readiness, academic and program staff were surveyed…

  1. Thermochemistry of disputed soot formation intermediates C4H3 and C4H5.

    PubMed

    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, C(4)H(3) and C(4)H(5), 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-C(4)H(3) and i-C(4)H(5) isomers lie 11.8 and 10.7 kcal mol(-1) below E-n-C(4)H(3) and E-n-C(4)H(5), 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 (delta(f)H(0) (composite function)) for i-C(4)H(3), Z-n-C(4)H(3), E-n-C(4)H(3), i-C(4)H(5), Z-n-C(4)H(5), and E-n-C(4)H(5) 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. PMID:15527344

  2. Thermochemistry of disputed soot formation intermediates C4H3 and C4H5

    NASA Astrophysics Data System (ADS)

    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.

  3. CAF-1-induced oligomerization of histones H3/H4 and mutually exclusive interactions with Asf1 guide H3/H4 transitions among histone chaperones and DNA.

    PubMed

    Liu, Wallace H; Roemer, Sarah C; Port, Alex M; Churchill, Mair E A

    2012-12-01

    Anti-silencing function 1 (Asf1) and Chromatin Assembly Factor 1 (CAF-1) chaperone histones H3/H4 during the assembly of nucleosomes on newly replicated DNA. To understand the mechanism of histone H3/H4 transfer among Asf1, CAF-1 and DNA from a thermodynamic perspective, we developed and employed biophysical approaches using full-length proteins in the budding yeast system. We find that the C-terminal tail of Asf1 enhances the interaction of Asf1 with CAF-1. Surprisingly, although H3/H4 also enhances the interaction of Asf1 with the CAF-1 subunit Cac2, H3/H4 forms a tight complex with CAF-1 exclusive of Asf1, with an affinity weaker than Asf1-H3/H4 or H3/H4-DNA interactions. Unlike Asf1, monomeric CAF-1 binds to multiple H3/H4 dimers, which ultimately promotes the formation of (H3/H4)(2) tetramers on DNA. Thus, transition of H3/H4 from the Asf1-associated dimer to the DNA-associated tetramer is promoted by CAF-1-induced H3/H4 oligomerization.

  4. Immobilization of Ag(i) into a metal-organic framework with -SO3H sites for highly selective olefin-paraffin separation at room temperature.

    PubMed

    Chang, Ganggang; Huang, Minhui; Su, Ye; Xing, Huabin; Su, Baogen; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Ren, Qilong; Bao, Zongbi; Chen, Banglin

    2015-02-18

    Introduction of Ag(i) ions into a sulfonic acid functionalized MOF ((Cr)-MIL-101-SO3H) significantly enhances its interactions with olefin double bonds, leading to its much higher selectivities for the separation of C2H4-C2H6 and C3H6-C3H8 at room temperature over the original (Cr)-MIL-101-SO3H and other adsorbents at room temperature.

  5. Biological concentration of /sup 3/H

    SciTech Connect

    Moghissi, A.A.; Bretthauer, E.W.; Patzer, R.G.

    1987-10-01

    In a three-year study, the possible biological concentration of /sup 3/H in rabbits was investigated. Tritiated water was used to grow alfalfa that was used exclusively as feed for the rabbits. Feed and water were kept at a constant /sup 3/H-to-/sup 1/H ratio. The foundation group consisted of 18 female rabbits maintained on a /sup 3/H diet for 2 wk before mating. The subsequent generations were maintained with tritiated water and feed. At appropriate intervals, animals were sacrificed and selected tissues were analyzed for /sup 3/H. The specific activity of /sup 3/H in aqueous and organic fractions of tissues of all the animals remained essentially equal to that in the original water and feed. Results of this experiment indicate that under the steady-state equilibrium conditions of the experiment, no preferential concentration of /sup 3/H in animals occurred.

  6. Minnesota 4-H Science of Agriculture Challenge: Infusing Agricultural Science and Engineering Concepts into 4-H Youth Development

    ERIC Educational Resources Information Center

    Rice, Joshua E.; Rugg, Bradley; Davis, Sharon

    2016-01-01

    Youth involved in 4-H projects have been engaged in science-related endeavors for years. Since 2006, 4-H has invested considerable resources in the advancement of science learning. The new Minnesota 4-H Science of Agriculture Challenge program challenges 4-H youth to work together to identify agriculture-related issues in their communities and to…

  7. Diversity Inclusion in 4-H Youth Programs: Examining the Perceptions among West Virginia 4-H Youth Professionals

    ERIC Educational Resources Information Center

    LaVergne, Douglas D.

    2013-01-01

    The study reported here sought to examine the perceptions of 4-H youth professionals towards diversity inclusion in 4-H youth programs. A majority of professionals positively reported that there are benefits for youth of color and youth with disabilities in 4-H youth programs. Respondents indicated that the lack of information about 4-H youth…

  8. Thermodynamic properties and crystal structure refinement of ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5

    USGS Publications Warehouse

    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.

  9. Curtiss JN-4H Towing Model Wing

    NASA Technical Reports Server (NTRS)

    1921-01-01

    In 1919 the NACA Langley laboratory received its first three research aircraft which were Curtiss JN-4Hs borrowed from the US Army Air Service at Langley Field. One of the first research projects of the laboratory initiated that year was a flight investigation of the lift and drag characteristics of the JN-4H. One of the objectives of the flight tests was to obtain data for correlation with wind-tunnel test results measured at MIT and to aid in the derivation of techniques for extrapolation of model results to full-scale conditions. In a pioneering aeronautical effort in 1920, pressure orifices were installed in the horizontal tail of one of the Jennies and connected to glass manometers for pressure measurements that could be photographed in flight. The NACA also used the aircraft in some of the earliest experiments on maneuverability in 1921. In addition to serving as test subjects, the aircraft were used for measurements of aerodynamic behavior of aircraft components. In this photograph made in 1921, one of the JN- 4Hs is towing a model of an aircraft wing to obtain lift and drag information for comparison to tunnel results. All three Jenny aircraft departed Langley in 1923. Reference: 'Flying the Frontiers: NACA and NASA Experimental Aircraft' by Arthur Pearcy. Naval Institute Press, 1993. ISBN 1-55750-258-7

  10. The Big E (Energy). 4-H Energy Project. 4-H Member's E-Book, Unit 1.

    ERIC Educational Resources Information Center

    Caldwell, William; And Others

    This activity and record book is designed for unit 1 (ages 9-11) of the Nebraska 4-H Energy Project. In this project, members are required to: (1) use energy wisely by closing doors and turning off lights; (2) inspecting homes for energy use at least once; (3) judging the best use of lighting in a home; (4) sharing ideas about energy use in a…

  11. CPR: Purposeful Action. Putting New Life into 4-H.

    ERIC Educational Resources Information Center

    Jones, Deborah A.; Smith, William C.

    1988-01-01

    In Ohio, 4-H professionals found that it is necessary to conduct market research to have an effective program. Cardiopulmonary resuscitation (CPR) training has been successful in strengthening the 4-H position in the marketplace. (JOW)

  12. Hamsters?! What Does 4-H Stand for, Anyway?

    ERIC Educational Resources Information Center

    Grundeen, Brenda

    This paper briefly traces the history of 4-H youth development programs, explains what youth development is, and shows how the experiential learning model is used in 4-H. Begun over 75 years ago as a means of extending the learning of the land-grant university to rural youth, 4-H is part of the Cooperative Extension Service. The curriculum…

  13. The 4-H Club Meeting: An Essential Youth Development Strategy

    ERIC Educational Resources Information Center

    Cassels, Alicia; Post, Liz; Nestor, Patrick I.

    2015-01-01

    The club meeting has served as a key delivery method for 4-H programming across the United States throughout its history. A survey of WV 4-H community club members reinforces the body of evidence that the 4-H club meeting is an effective vehicle for delivering positive youth learning opportunities within the umbrella of the Essential Elements of…

  14. Using Digital Classrooms to Conduct 4-H Club Meetings

    ERIC Educational Resources Information Center

    West, Patricia; Fuhrman, Nicholas E.; Morgan, A. Christian; Duncan, Dennis W.

    2012-01-01

    Using computer technology and digital classrooms to conduct 4-H Club meetings is an efficient way to continue delivering quality 4-H programming during times of limited resources and staff. Nineteen Junior and Senior 4-H'ers participated in seven digital classroom workshops using the Wimba Classroom application. These digital classroom…

  15. Factors Affecting Teen Involvement in Pennsylvania 4-H Programming

    ERIC Educational Resources Information Center

    Gill, Bart E.; Ewing, John C.; Bruce, Jacklyn A.

    2010-01-01

    The study reported here determined the factors that affect teen involvement in 4-H programming. The design of the study was descriptive and correlational in nature. Using a purposive sampling procedure, a survey questionnaire was distributed to all (N=214) 4-H members attending the 4-H State Leadership Conference. The major findings of the study…

  16. Inhibition of solute crystallisation in aqueous H(+)-NH(4)(+)-SO4(2-)-H2O droplets.

    PubMed

    Murray, Benjamin J; Bertram, Allan K

    2008-06-14

    Ice clouds in the Earth's upper troposphere can form via homogeneous nucleation of ice in aqueous droplets. In this study we investigate the crystallisation, or lack of crystallisation, of the solute phase and ice in aqueous (NH(4))(3)H(SO(4))(2)/H(2)O and NH(4)HSO(4)/H(2)O droplets. This is done using in situ X-ray diffraction of emulsified solution droplets mounted on a cold stage. From the diffraction patterns we are able to identify the phases of crystalline solute and ice that form after homogeneous freezing in micrometer sized droplets. An important finding from this study is that crystallisation of the solute does not always occur, even when crystallisation is strongly thermodynamically favoured. The nucleation and growth of solute phase crystals becomes inhibited since the viscosity of the aqueous brine most likely increases dramatically as the brine concentration increases and temperature decreases. If ice nucleates below a threshold freezing temperature, the brine appears to rapidly become so viscous that solute crystallisation is inhibited. This threshold temperature is 192 K and 180 K, in (NH(4))(3)H(SO(4))(2) and NH(4)HSO(4), respectively. We also speculate that the formation of cubic ice within a highly viscous brine blocks the solvent mediated cubic to hexagonal phase transformation, thus stabilising the metastable cubic ice in the most concentrated solution droplets.

  17. Reaction Mechanism and Product Branching Ratios of the CH + C3H6 Reaction: A Theoretical Study.

    PubMed

    Ribeiro, Joao Marcelo; Mebel, Alexander M

    2016-03-24

    The mechanism of CH(X(2)Π) reaction with propene has been studied with ab initio CCSD(T)-F12/CBS//B3LYP/6-311G(d,p) calculations of the C4H7 potential energy surface and RRKM/master equation calculations of unimolecular rate constants for the various isomerization and dissociation steps available to the C4H7 radicals. Product branching ratios were calculated and were found to strongly depend on the initial chemically activated C4H7 complex formed in a barrierless entrance channel. If the reaction is initiated via either CH addition to the double bond in propene or CH insertions into the terminal sp(2) C-H or single C-C bonds, then 1,3-butadiene + H are predicted to be the dominant products, ethene + C2H3 radical are minor but non-negligible products, and a small amount of 1,2-butadiene + H is also produced. The reaction then proceeds through a key CH3CHCH(•)CH2 intermediate, which loses an H atom to form either 1,3- or 1,2-butadiene or isomerizes to (•)CH2CH2CHCH2 and then dissociates to ethene + C2H3 radical. If CH inserts into a C-H bond in the CH3 group the (•)CH2CH2CHCH2 complex is formed directly and then the major reaction products are predicted to be ethene + C2H3 radical and 1,3-butadiene + H. Finally, if CH inserts into the middle sp(2) C-H bond, a branched CH3C((•)CH2)CH2 complex is produced, which predominantly decomposes to allene + CH3 radical. A comparison of the calculated reaction mechanism with available experimental data indicates that the CH addition entrance channel is favorable, in which case the computed branching ratios are in agreement with the experimental result of Loison and Bergeat, who measured the H elimination branching ratio of 78 ± 10%. However, the computed branching ratios quantitatively disagree with the experimental data by Trevitt et al., who observed a nearly 100% yield of the C4H6 + H products and also larger yields of 1,2-butadiene and 1-butyne than the calculations predict. The deviation of the theoretical results

  18. Low temperature rate coefficients for reactions of the butadiynyl radical, C4H, with various hydrocarbons. Part II: reactions with alkenes (ethylene, propene, 1-butene), dienes (allene, 1,3-butadiene) and alkynes (acetylene, propyne and 1-butyne).

    PubMed

    Berteloite, Coralie; Le Picard, Sébastien D; Balucani, Nadia; Canosa, André; Sims, Ian R

    2010-04-21

    The kinetics of the reactions of the linear butadiynyl radical, C4H (CCCCH), with a variety of unsaturated hydrocarbons have been studied over the temperature range of 39-300 K using a CRESU (Cinétique de Réaction en Ecoulement Supersonique Uniforme, or reaction kinetics in uniform supersonic flow) apparatus combined with the pulsed laser photolysis-laser induced fluorescence technique. The rate coefficients for all the reactions studied are found to all be in excess of 10(-10) cm(3) molecule(-1) s(-1) over the entire temperature range. They can be fitted with the following expressions (valid from 39 K to 300 K, with RMS deviations of the experimental points from the predicted values shown, to which should be added 10% possible systematic error) for reaction of C4H with alkenes: k(C2H4) = (1.95 +/- 0.17) x 10(-10) (T/298 K)(-0.40) exp(9.4 K/T) cm3 molecule(-1) s(-1); k(C3H6) = (3.25 +/- 0.12) x 10(-10) (T/298 K)(-0.84) exp(-48.9 K/T) cm3 molecule(-1) s(-1); k(1-C4H8) = (6.30 +/- 0.35) x 10(-10) (T/298 K)(-0.61) exp(-65.0 K/T) cm3 molecule(-1) s(-1), for reaction of C4H with dienes: k(C3H4) = (3.70 +/- 0.34) x 10(-10) (T/298 K)(-1.18) exp(-91.1 K/T) cm3 molecule(-1) s(-1); k(1,3-C4H6) = (5.37 +/- 0.30) x 10(-10) (T/298 K)(-1.25) exp(-116.8 K/T) cm3 molecule(-1) s(-1), and for reaction of C4H with alkynes: k(C2H2) = (1.82 +/- 0.19) x 10(-10) (T/298 K)(-1.06) exp(-65.9 K/T) cm3 molecule(-1) s(-1); k(C3H4) = (3.20 +/- 0.08) x 10(-10) (T/298 K)(-0.82) exp(-47.5 K/T) cm3 molecule(-1) s(-1); k(1-C4H6) = (3.48 +/- 0.14) x 10(-10) (T/298 K)(-0.65) exp(-58.4 K/T) cm3 molecule(-1) s(-1). Possible reaction mechanisms and product channels are discussed in detail for each of these reactions. Potential implications of these results for models of low temperature chemical environments, in particular cold interstellar clouds and star-forming regions, are considered.

  19. Detoxification and transcriptome response in Arabidopsis seedlings exposed to the allelochemical benzoxazolin-2(3H)-one.

    PubMed

    Baerson, Scott R; Sánchez-Moreiras, Adela; Pedrol-Bonjoch, Nuria; Schulz, Margot; Kagan, Isabelle A; Agarwal, Ameeta K; Reigosa, Manuel J; Duke, Stephen O

    2005-06-10

    Benzoxazolin-2(3H)-one (BOA) is an allelochemical most commonly associated with monocot species, formed from the O-glucoside of 2,4-dihydroxy-2H-1,4-benzoxazin-3(4H)-one by a two-step degradation process. The capacity of Arabidopsis to detoxify exogenously supplied BOA was analyzed by quantification of the major known metabolites BOA-6-OH, BOA-6-O-glucoside, and glucoside carbamate, revealing that detoxification occurs predominantly through O-glucosylation of the intermediate BOA-6-OH, most likely requiring the sequential action of as-yet-unidentified cytochrome P450 and UDP-glucosyltransferase activities. Transcriptional profiling experiments were also performed with Arabidopsis seedlings exposed to BOA concentrations, representing I(50) and I(80) levels based on root elongation inhibition assays. One of the largest functional categories observed for BOA-responsive genes corresponded to protein families known to participate in cell rescue and defense, with the majority of these genes potentially associated with chemical detoxification pathways. Further experiments using a subset of these genes revealed that many are also transcriptionally induced by a variety of structurally diverse xenobiotic compounds, suggesting they comprise components of a coordinately regulated, broad specificity xenobiotic defense response. The data significantly expand upon previous studies examining plant transcriptional responses to allelochemicals and other environmental toxins and provide novel insights into xenobiotic detoxification mechanisms in plants.

  20. Crossed molecular beam study of gas phase reactions relevant to the chemistry of planetary atmospheres: The case of C 2+C 2H 2

    NASA Astrophysics Data System (ADS)

    Leonori, Francesca; Petrucci, Raffaele; Hickson, Kevin M.; Segoloni, Enrico; Balucani, Nadia; Le Picard, Sébastien D.; Foggi, Paolo; Casavecchia, Piergiorgio

    2008-11-01

    The reaction between dicarbon (C 2) and acetylene was recently suggested as a possible competitive reaction in the atmospheres of Titan, Saturn and Uranus by rate constant measurements at very low temperatures [see Canosa, A., Páramo, A., Le Picard, S.D., Sims, I.R., 2007. An experimental study of the reaction kinetics of C 2(X 1Σ g+) with hydrocarbons (CH 4, C 2H 2, C 2H 4, C 2H 6 and C 3H 8) over the temperature range 24-300 K: implications for the atmospheres of Titan and the Giant Planets. Icarus 187, 558-568]. We have investigated the reaction of the two low lying electron states of C 2 and acetylene by the crossed molecular beam (CMB) technique with mass spectrometric detection. C 4H, already identified as a primary product in previous CMB experiments, is confirmed as such, even though the mechanism of formation is inferred to be partly different with respect to the previous study. An experimental setup has been devised to characterize the internal population of C 2 and refine the interpretation of the scattering results. The implications for the modelling of the atmospheres of Giant Planets and Titan, as well as cometary comae and the interstellar medium, are discussed.

  1. Why 4-H Members Leave: A Study of Discontinuance through Both Current 4-H Members and Former Members

    ERIC Educational Resources Information Center

    Chilek, Kevin Dwayne

    2012-01-01

    4-H members quit. It is part of every 4-H program, and according to the research, it is even part of growing up. If only we knew why they quit, we could possibly do something about it. To date, the reasons youth join 4-H have been more thoroughly researched than the reasons they quit. This study explores why youth choose to discontinue membership…

  2. The Oneida County 4-H Conservation Field Days Conflict.

    ERIC Educational Resources Information Center

    Brown, Stephen C.; Vonhof, Sarah; Kelley, Alicia

    2003-01-01

    Examines the various perspectives held by the three major organizations involved (an environmental citizens group, a local sportsmen's club, and the cooperative extension service) regarding a conflict over a 4-H program involving hunting and wildlife management. Discusses why the 4-H program's attempt to build consensus among the organizations was…

  3. Embracing Scientific and Engineering Practices in 4-H

    ERIC Educational Resources Information Center

    Worker, Steven M.

    2013-01-01

    The 4-H Science Initiative has renewed efforts to strengthen 4-H programmatic and evaluation efforts in science and engineering education. A fundamental component of this initiative is to provide opportunities to youth to aid in their development of science process skills; however, emerging research stresses the importance of engaging youth in…

  4. Council of Presidents: A Multifaceted Idea for 4-H

    ERIC Educational Resources Information Center

    Torretta, Alayne

    2015-01-01

    Communication between 4-H professionals and the youth they work with is an important part of a successful 4-H program. By creating a Council of Presidents comprised of officers of all the clubs in your county, you can increase communication while assuring your program addresses all four essential elements. The Council is also as a vehicle for…

  5. 4-H Participation and Science Interest in Youth

    ERIC Educational Resources Information Center

    Heck, Katherine; Carlos, Ramona M.; Barnett, Cynthia; Smith, Martin H.

    2012-01-01

    The study reported here investigated the impacts of participation in 4-H on young people's interest and participation in science. Survey data were collected from relatively large and ethnically diverse samples of elementary and high school-aged students in California. Results indicated that although elementary-grade 4-H members are not more…

  6. Stabilization of 4H hexagonal phase in gold nanoribbons

    PubMed Central

    Fan, Zhanxi; Bosman, Michel; Huang, Xiao; Huang, Ding; Yu, Yi; Ong, Khuong P.; Akimov, Yuriy A.; Wu, Lin; Li, Bing; Wu, Jumiati; Huang, Ying; Liu, Qing; Eng Png, Ching; Lip Gan, Chee; Yang, Peidong; Zhang, Hua

    2015-01-01

    Gold, silver, platinum and palladium typically crystallize with the face-centred cubic structure. Here we report the high-yield solution synthesis of gold nanoribbons in the 4H hexagonal polytype, a previously unreported metastable phase of gold. These gold nanoribbons undergo a phase transition from the original 4H hexagonal to face-centred cubic structure on ligand exchange under ambient conditions. Using monochromated electron energy-loss spectroscopy, the strong infrared plasmon absorption of single 4H gold nanoribbons is observed. Furthermore, the 4H hexagonal phases of silver, palladium and platinum can be readily stabilized through direct epitaxial growth of these metals on the 4H gold nanoribbon surface. Our findings may open up new strategies for the crystal phase-controlled synthesis of advanced noble metal nanomaterials. PMID:26216712

  7. Magnesium chloride tetrahydrate, MgCl2·4H2O.

    PubMed

    Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang

    2012-01-01

    The title compound, MgCl(2)·4H(2)O, was crystallized at 403 K and its structure determined at 200 K. The structure is built up from MgCl(2)(H(2)O)(4) octahedra with a trans configuration. Each complex is situated on a crystallographic twofold axis, with the rotation axis aligned along one H(2)O-Mg-OH(2) axis. They are connected by a complex network of O-H···Cl hydrogen bonds. The structure contains two-dimensional sections that are essentially identical to those in the reported tetrahydrates of CrCl(2), FeCl(2), FeBr(2) and CoBr(2), but they are stacked in a different manner in MgCl(2)·4H(2)O compared with the transition metal structures.

  8. Relations between 3H-estradiol uptake and receptor content of estrogen responsive tissues of castrated female rat.

    PubMed

    Gómez-Benitez, J; Sosa-González, A; Díaz-Chico, B N

    1984-09-01

    The time course of 3H-Estradiol-17 beta (3H-E2) uptake, and estrogen receptor content in estrogen responsive tissues were studied between 0 and 12 h after injection of 0.5 microgram/kg of 3H-E2 or cold E2 injection to castrated adult female rats. The plasma concentration of 3H-E2 between 10 min and 2 h after injection was in the range of the plasma E2 level of cyclic rat. The total 3H-E2 uptake was well correlated with the receptor content in all tissues. The rank order of 3H-E2 uptake was: uterus (Ut) greater than anterior pituitary (Ap) greater than hypothalamus (Ht) greater than plasma. The cytosol 3H-E2 uptake showed its maximal level 10 min after injection in all tissues. Parallel time course between plasma 3H-E2 and cytosol uptake was obtained for each separate tissue. The nuclear 3H-E2 uptake showed its maximal values 2 h after injection with a subsequent decline. Cytosolic estrogen receptor (Rc) content showed a depletion-replenishment cycle after cold E2 injection in all tissues. Nuclear estrogen receptor (Rn) content in Ut increased progressively from 0 to 14 h after injection, but in Ap it showed its maximal level 2 h after injection, declining afterwards. In Ap, nuclear 3H-E2 uptake and Rn level showed parallel time courses. The maximal level of both parameters coinciding with the time of maximal Rc depletion. However, the Rn level in Ut increases more slowly at greater length than the nuclear 3H-E2 uptake, both processes being divergent. These findings are interpreted as the expression of tissular differences in the rate of nuclear receptor formation from the Rc-E complex previously translocated into nucleus and attached to chromatin.

  9. Sodium diffusion in 4H-SiC

    SciTech Connect

    Linnarsson, M. K. Hallén, A.

    2014-09-01

    Sodium diffusion has been studied in p-type 4H-SiC. Heat treatments have been performed from 1200 °C to 1800 °C for 1 min to 4 h. Secondary ion mass spectrometry has been used to measure the sodium distribution. We show that sodium has a considerable mobility at 1200 °C in p-type 4H-SiC. On the other hand for sodium atoms trapped at suitable sites the mobility is limited up to 1800 °C. Trap limited diffusion kinetics is suggested and an effective diffusivity has been extracted with an activation energy of 4 eV for sodium diffusion in p-type 4H-SiC.

  10. Properties of homoepitaxial 4H-SiC and characteristics of Ti/4H-SiC Schottky barrier diodes

    NASA Astrophysics Data System (ADS)

    Chen, G.; Li, Z. Y.; Bai, S.; Han, P.

    2008-02-01

    This paper describes the properties of the homoepitaxial 4H-SiC layer, the fabrication and electrical parameters of Ti/4H-SiC Schottky barrier diode (SBD). The 4H-SiC epitaxial layers, grown on the commercially available 8°off-oriented Si-face(0001) single-crystal 4H-SiC wafers, have been performed at 1550~1600°C by using the step controlled epitaxy with low pressure chemical vapor deposition. X-ray diffraction measurement result indicates the single crystal nature of the epilayer, and Raman spectrum shows the typical 4H-SiC feature peaks. When the off-oriented angle of substrate is 8°, the epitaxial growth perfectly replicates the substrate's polytype. High quality 4H-SiC epilayer has been generated on the 4H-SiC substrate. Ti/4H-SiC SBDs with blocking voltage 1kV have been made on an undoped epilayer with 12um in thick and 3×10 15cm -3 in carrier density. The ideality factor n=1.16 and the effective barrier height φ e=0.9V of the Ti/4H-SiC SBDs are measured with method of forward density-voltage (J-V). The diode rectification ratio of forward to reverse (defined at +/-1V) is over 10 7 at room temperature. By using B + implantation, an amorphous layer as the edge termination is formed. The SBDs have on-state current density of 200A/cm2 at a forward voltage drop of about 2V. The specific on-resistance for the rectifier is found to be as 6.6mΩ•cm2.

  11. Isomer Energy Differences for the C4H3 and C4H5 Isomers UsingDiffusion Monte Carlo

    SciTech Connect

    Domin, D.; Lester Jr., W.A.; Whitesides, R.; Frenklach, M.

    2007-12-01

    A new diffusion Monte Carlo study is performed on the isomers of C{sub 4}H{sub 3} and C{sub 4}H{sub 5} emulating the methodology of a previous study [Int. J. Chem. Kinetics 33, 808 (2001)]. Using the same trial wave function form of the previous study, substantially different isomerization energies were found owing to the use of larger walker populations in the present work. The energy differences between the E and I isomers of C{sub 4}H{sub 3} were found to be 10.5 {+-} 0.5 kcal/mol and for C{sub 4}H{sub 5}, 9.7 {+-} 0.6 kcal/mol. These results are in reasonable accord with recent MRCI and CCSD(T) findings.

  12. Thermodynamic Modeling of the SRS Evaporators: Part II. The 3H System

    SciTech Connect

    Jantzen, C.M.

    2001-10-02

    Accumulations of two solid phases have formed scale deposits in the Savannah River Site 2H Evaporator system since late 1996. The aluminosilicate scale deposits caused the evaporator pot to become inoperable in October 1999. Accumulations of the diuranate phase have caused criticality concerns in the SRS 2H Evaporator. In order to ensure that similar deposits are not and will not form in the SRS 3H Evaporator, thermodynamically derived activity diagrams specific to the feeds processed from Tanks 30 and 32 are evaluated in this report.

  13. Characterisation and properties of the n = 3 and n = 4 members of the Al 2[O 3PC nH 2 nPO 3](H 2O) 2F 2 framework aluminium alkylenediphosphonate series

    NASA Astrophysics Data System (ADS)

    Attfield, Martin P.; Mendieta-Tan, Carlos; Yuan, Zhanhui; Clegg, William

    2008-09-01

    A combination of techniques has been used to fully determine the structure and properties of Al 2[O 3PC 4H 8PO 3](H 2O) 2F 2·2H 2O (monoclinic, P2 1/ m, a = 4.96926(6) Å, b = 12.0013(1) Å, c = 10.7440(2) Å, β = 94.058(1)°, Z = 2, Rp = 0.0732, Rwp = 0.0939), the n = 4 member of the framework aluminium alkylenediphosphonate Al 2[O 3PC nH 2 nPO 3](H 2O) 2F 2 series. The combination of thermogravimetric and thermodiffraction data and the structure determination of the partially dehydrated structure, Al 2[O 3PC 4H 8PO 3](H 2O) 2F 2·0.17(1)H 2O (monoclinic, P2 1/ m, a = 4.9392(3) Å, b = 12.1867(4) Å, c = 10.7830(5) Å, β = 94.767(3)°, Z = 2, Rp = 0.0839, Rwp = 0.1121), indicate that the framework structure is stable to, and remains unchanged, with respect to the loss of the extra-framework water molecules but not the framework water molecules. This behaviour is in stark contrast to the n = 3 member of the Al 2[O 3PC nH 2 nPO 3](H 2O) 2F 2 series, Al 2[O 3PC 3H 6PO 3](H 2O) 2F 2·H 2O, for which the combination of thermogravimetric and thermodiffraction data indicates that the framework structure contracts during the loss of the extra-framework water molecules before collapsing after loss of the framework water molecules. The formation of the n = 4 member of the series indicates that the design of the alkyl chain can be used to successfully control aspects of the pore volume within this family of materials and comparison of the dehydration behaviour of the n = 3 and n = 4 members of the series indicates that related materials containing channels housing the same number of water molecules exhibit different dehydration behaviour depending on the stacking of the constituent inorganic layers within the material.

  14. Modeling chemical growth processes in Titan's atmosphere 2. Theoretical study of reactions between C 2H and ethene, propene, 1-butene, 2-butene, isobutene, trimethylethene, and tetramethylethene

    NASA Astrophysics Data System (ADS)

    Woon, David E.; Park, Jin-Young

    2009-08-01

    Barrierless reactions between unsaturated hydrocarbons and the ethynyl radical (C 2H) can contribute to the growth of organic particulates in the haze-forming regions of Titan's atmosphere as well as in the gas giants and in the interstellar medium. We employed a combination of quantum chemistry and statistical rate theories to characterize reactions between ground state C 2H and seven alkenes of the general structure RRCdbnd CRR containing up to six carbons. The alkenes included ethene (C 2H 4); propene (C 3H 6); 1-butene, 2-butene, and isobutene (C 4H 8); trimethylethene (C 5H 10); and tetramethylethene (C 6H 12). Density functional theory calculations at the B3LYP/6-31 + G ∗∗ level were used to characterize the adducts, isomers, products, and the intervening transition states for the addition-elimination reactions of all seven species. A multiple-well treatment was then employed to determine the outcome distributions for the range of temperatures and pressures relevant to Titan's atmosphere, the interstellar medium, and the outer atmospheres of the gas giants. Finally, trajectory calculations using an ROMP2 potential energy surface were used to calculate kinetic rates for the ethene + C 2H reaction, where the agreement between the computed and measured values is very good. At low pressure and temperature, vinyl acetylene is a dominant product of several of the reactions, and all of the reactions yield at least one dominant product with both a double and a triple C sbnd C bond.

  15. Electronic spectra of C4H3Cl+ isomers

    NASA Astrophysics Data System (ADS)

    Chakrabarty, S.; Rudnev, V.; Fulara, J.; Dietsche, R.; Nagy, A.; Garkusha, I.; Mazzotti, F. J.; Rice, C. A.; Maier, J. P.

    2012-12-01

    Two experimental methods were applied to identify the structure and electronic transitions of C4H3Cl+ isomers. The first is a direct absorption technique where mass-selected ions are embedded in 6 K neon matrices using a mass-selected ion beam and absorption spectra of different C4H3Cl+ isomers were thus observed. The second is a gas phase method on ions which have been collisional cooled with cryogenic helium inside of a 22-pole ion trap. The c-type (1)2 A‧ ← X 2 A″ electronic transition of a C4H3Cl+ isomer could then be measured by a one-colour, two-photon technique at 20 and 50 K in the gas phase. The two sets of data, complemented by calculated excitation energies, allowed the assignment of particular isomers. Rotational structure in the gas phase spectra was resolved for C4H3 35Cl+ and C4H3 37Cl+ isomers of cis-1-chlorobutenynylium. The analysis leads to the spectroscopic constants: T 00 = 19 184.680(5), ? , ? , ? , ? , ? and ? (all in cm-1).

  16. On the Ionization Energies of C4H3 Isomers

    SciTech Connect

    Kaiser, Ralf I.; Mebel, Alexander; Kostko, Oleg; Ahmed, Musahid

    2009-09-16

    We have conducted a combined experimental and theoretical study on the formation of distinct isomers of resonantly stabilized free radicals, C4H3, which are important intermediates in the formation of polycyclic aromatic hydrocarbons in combustion flames and possibly in the interstellar medium. Our study utilized laser ablation of graphite in combination with seeding the ablated species in neat methylacetylene gas which also acted as a reagent. Photoionization efficiency (PIE) curves were recorded of the C4H3 isomers at the Advanced Light Source from 8.0 to 10.3 eV. The experimental PIE curve was compared with theoretical ones suggesting the formation of four C4H3 radicals: two acyclic structures i-C4H3 [1] and E/Z-n-C4H3 [2E/2Z]and two cyclic isomers 3 and 4. These molecules are likely formed via an initial addition of ground state carbon atoms to the carbon-carbon triple bond of the methylacetylene molecule followed by isomerization via hydrogen migrations and ring opening and emission of atomic hydrogen from these intermediates.

  17. Reversible Photoinduced Reductive Elimination of H2 from the Nitrogenase Dihydride State, the E(4)(4H) Janus Intermediate.

    PubMed

    Lukoyanov, Dmitriy; Khadka, Nimesh; Yang, Zhi-Yong; Dean, Dennis R; Seefeldt, Lance C; Hoffman, Brian M

    2016-02-01

    We recently demonstrated that N2 reduction by nitrogenase involves the obligatory release of one H2 per N2 reduced. These studies focus on the E4(4H) "Janus intermediate", which has accumulated four reducing equivalents as two [Fe-H-Fe] bridging hydrides. E4(4H) is poised to bind and reduce N2 through reductive elimination (re) of the two hydrides as H2, coupled to the binding/reduction of N2. To obtain atomic-level details of the re activation process, we carried out in situ 450 nm photolysis of E4(4H) in an EPR cavity at temperatures below 20 K. ENDOR and EPR measurements show that photolysis generates a new FeMo-co state, denoted E4(2H)*, through the photoinduced re of the two bridging hydrides of E4(4H) as H2. During cryoannealing at temperatures above 175 K, E4(2H)* reverts to E4(4H) through the oxidative addition (oa) of the H2. The photolysis quantum yield is temperature invariant at liquid helium temperatures and shows a rather large kinetic isotope effect, KIE = 10. These observations imply that photoinduced release of H2 involves a barrier to the combination of the two nascent H atoms, in contrast to a barrierless process for monometallic inorganic complexes, and further suggest that H2 formation involves nuclear tunneling through that barrier. The oa recombination of E4(2H)* with the liberated H2 offers compelling evidence for the Janus intermediate as the point at which H2 is necessarily lost during N2 reduction; this mechanistically coupled loss must be gated by N2 addition that drives the re/oa equilibrium toward reductive elimination of H2 with N2 binding/reduction.

  18. Density Functional Exploration of C4H3N Isomers.

    PubMed

    Custer, Thomas; Szczepaniak, Urszula; Gronowski, Marcin; Fabisiewicz, Emilia; Couturier-Tamburelli, Isabelle; Kołos, Robert

    2016-07-28

    Molecules having C4H3N stoichiometry are of astrophysical interest. Two of these, methylcyanoacetylene (CH3C3N) and its structural isomer allenyl cyanide (H2CCCHN), have been observed in interstellar space, while several more have been examined in laboratories. Here we describe, for a broad range of C4H3N isomers, density functional calculations (B3LYP/aug-cc-pVTZ) of molecular parameters including the energetics, geometries, rotational constants, electric dipole moments, polarizabilities, vibrational IR frequencies, IR absorption intensities, and Raman activities. Singlet-triplet splittings as well as singlet vertical electronic excitation energies are given for selected species. The identification of less stable C4H3N molecules, generated in ongoing spectroscopic experiments, relies heavily on these quantum chemical predictions. PMID:27341606

  19. Experimental and theoretical study on the thermal decomposition of C3H6 (propene).

    PubMed

    Hung, Wei-Chung; Tsai, Chieh-Ying; Matsui, Hiroyuki; Wang, Niann-Shiah; Miyoshi, Akira

    2015-02-26

    The mechanism of the thermal unimolecular decomposition of C3H6 (propene) is studied both theoretically and experimentally. The potential energy surfaces for possible reaction pathways are investigated by CBS-QB3 level of quantum chemical calculations, and RRKM/master-equation calculation is performed for the main channels. The time evolutions of H atoms are observed experimentally by using a highly sensitive detection technique (ARAS, detection limit ≈ 10(11) atoms cm(-3)) behind reflected shock waves (0.5-1.0 ppm C3H6 diluted in Ar, 1450-1710 K at 2.0 atm). The objective of this study is to examine the main product channels by combining the experimental and theoretical investigations on the yield and the rates of H atom production. Present quantum chemical calculations identify reactions (1a-1d) as the candidates of product channels: C3H6 → aC3H5 (allyl radical) + H (1a), C3H6 → CH3 + C2H3 (vinyl radical) (1b), C3H6 → CH4 + :CCH2 (singlet vinyldene radical) (1c), and C3H6 → C3H4 (allene) + H2 (1d). The RRKM calculations reveal the branching fractions for (1a), (1b), and (1c) to be approximately 0.8, 0.2, and 0.01, respectively. Reaction (1d) and other product channels are negligible (< 0.1 %), and the pressure dependence of the branching fraction is small under the present experimental conditions. The experimental yield of H atoms (1.7-2.0) is consistent with the theoretical branching fractions considering the H-atom production from the rapid subsequent thermal decomposition of a C3H5 and C2H3. From the observed time profiles of H atoms, the rate of overall thermal decomposition of C3H6 can be evaluated as Ln(k1/s(-1)) = (38.05 ± 1.18) - (48.91 ± 1.85) × 10(3) K/T, which is in excellent agreement with the theoretical prediction.

  20. Uptake of [3H]-nicotine and [3H]-noradrenaline by cultured chromaffin cells.

    PubMed Central

    Ceña, V.; García, A. G.; Montiel, C.; Sánchez-García, P.

    1984-01-01

    Three day-old cultured bovine adrenal chromaffin cells incubated at room temperature with Krebs-HEPES solution containing different concentrations of [3H]-nicotine, took up and retained increasing amounts of the drug by a mechanism that did not saturate. Concentrations of cold nicotine as high as 100 microM did not alter the amount of [3H]-nicotine retained by cells. Imipramine, cocaine, tetracaine or mecamylamine, at concentrations (10 microM) that blocked the catecholamine secretory effects of nicotine completely, did not modify the uptake of [3H]-nicotine. Both imipramine and cocaine drastically inhibited [3H]-noradrenaline uptake by cells in a concentration-dependent manner (IC50S of 0.08 and 1 microM, respectively). These data indicate that the secretory effects of nicotine are not coupled to its previous uptake into cells, and are evidence in favour of a site of action for nicotine located in or at the surface of the chromaffin cell membrane. PMID:6704577

  1. Synthesis of [2H7]indatraline.

    PubMed

    Allmendinger, L; Wanner, K T

    2014-11-01

    Deuterium-labelled indatraline was synthesized in high efficiency employing a Friedel-Crafts alkylation of [(2)H6]benzene with (E)-3-(3,4-dichlorophenyl)acrylic acid as a key step. The desired labelling of the final compound was ascertained in two ways, by incorporation of [(2)H6]benzene in the target molecule and additionally by deuterium transfer to the non-deuterated aryl moiety of the Friedel-Crafts alkylation product from [(2)H6]benzene, the latter thus serving as reagent and solvent. PMID:25382822

  2. 3H-nicotine, 3H-flunitrazepam, and 3H-cocaine incorporation into melanin: a model for the examination of drug-melanin interactions.

    PubMed

    Claffey, D J; Stout, P R; Ruth, J A

    2001-10-01

    To explore drug-melanin interactions, we examined the in vitro tyrosinase-mediated formation of melanin from tyrosine in the presence of the 3H-cocaine (3H-COC), 3H-flunitrazepam (3H-FLU), and 3H-nicotine (3H-NIC) at 10-100,000 ng/mL. Polymerization in the presence of 10 or 100 ng/mL of each drug resulted in almost complete drug incorporation into the melanin pellet. Only 12% (3H-NIC) to 28% (3H-FLU) of the pellet-associated radioactivity could be released upon treatment with 6 M HCl. At 1000-100,000 ng/mL, between 20 and 50% of label became melanin-associated. In each case a significant percentage of melanin-associated radioactivity was resistant to treatment with 6 M HCl. Nicotine-associated radioactivity in the polymer was subject to much greater quenching than was 3H-COC or 3H-FLU, suggesting a much tighter association with the melanin. The subsequent demonstration of a covalent adduct of a melanin intermediate and nicotine has demonstrated the utility of this polymerization system as a model for further chemical characterization of drug-melanin interactions.

  3. On the growth of ternary system HNO{sub 3}/H{sub 2}SO{sub 4}/H{sub 2} aerosol particles in the stratosphere

    SciTech Connect

    Hamill, P.; Tabazadeh, A.; Kinne, S.; Toon, O.B.

    1996-04-01

    The authors present model study results on the formation of ternary aerosols of nitric acid, sulfuric acid, and water in the stratosphere. The aerosol particles grow by means of a heteromolecular condensation process. The authors assume the particles are in equilibrium with the background water vapor.

  4. Bruceolline D: 3,3-dimethyl-1H,4H-cyclo­penta­[b]indol-2(3H)-one

    PubMed Central

    Lopchuk, Justin M.; Gribble, Gordon W.; Jasinski, Jerry P.

    2013-01-01

    The title compound, C13H13NO, crystallizes with four independent mol­ecules in the asymmetric unit. The 12-membered penta­[b]indole rings are essentially planar, with maximum deviations ranging from 0.034 (4) to 0.036 (4) Å in the four unique mol­ecules. In the crystal, weak C—H⋯O inter­actions are observed, which link the mol­ecules into chains along [010]. PMID:24046619

  5. The Big E (Energy). 4-H Member Guide, Unit 2.

    ERIC Educational Resources Information Center

    Caldwell, William; And Others

    This activity and record book is designed for unit 2 (ages 12-14) of the Nebraska 4-H Energy Project. Aims, energy attitudes to be developed, and instructions are provided for each activity. Activities include: (1) a word search of energy-related words (with definitions provided); (2) determining fuel waste; (3) reading electric/gas meters and…

  6. Textile Science Leader's Guide. 4-H Textile Science.

    ERIC Educational Resources Information Center

    Scholl, Jan

    This instructor's guide provides an overview of 4-H student project modules in the textile sciences area. The guide includes short notes explaining how to use the project modules, a flowchart chart showing how the project areas are sequenced, a synopsis of the design and content of the modules, and some program planning tips. For each of the…

  7. Effectiveness of the Indiana 4-H Tractor Program: Alumni Perceptions.

    ERIC Educational Resources Information Center

    Carrabba, James J., Jr.; Talbert, B. Allen; Field, William E.; Tormoehlen, Roger

    2001-01-01

    Responses from Indiana 4-H tractor driving contestants 1982-197 (n=139) showed that 74% were employed on farms; most felt the contests effectively taught tractor safety and made them generally aware of safety. However, many still engaged in risky behaviors such as not wearing seatbelts in tractors with rollover protective structures or allowing…

  8. "Ohio 4-H CARTEENS": Peer Intervention Safety Program.

    ERIC Educational Resources Information Center

    Cropper, Rebecca J.

    1999-01-01

    Ohio 4-H's CARTEENS seeks to reduce juvenile traffic violations in a program designed and presented by teen peer educators with guidance and technical assistance from the state highway patrol. Teens examined court data to determine content, which includes defensive driving, rural road safety, and dealing with peer pressure. (SK)

  9. Fashion Revue. 4-H Textile Science Activity Guide.

    ERIC Educational Resources Information Center

    Scholl, Jan

    This publication was developed to help students participating in Fashion Review, a 4-H event in which students model a clothing outfit and accessories and are judged on their modeling ability, their presentation, and how well the clothing and accessory choices complement the students' skin tones, hair color, figure or physique, personality, and…

  10. Minnesota 4-H Youth Program Quality Improvement Model

    ERIC Educational Resources Information Center

    Herman, Margo; Grant, Samantha

    2015-01-01

    The University of Minnesota Extension Center for Youth Development made an organizational decision in 2011 to invest in a system-wide approach to implement youth program quality into the 4-H program using the Youth Program Quality Assessment (YPQA) tool. This article describes the four key components to the Minnesota Youth Program Quality…

  11. The Big E (Energy). 4-H Member Guide, Unit 3.

    ERIC Educational Resources Information Center

    Caldwell, William; And Others

    This activity and record book is designed for unit 3 (ages 15-19) of the Nebraska 4-H Energy Project. Aims, energy attitudes to be developed, and instructions are provided for each activity. Activities include: (1) determining ways to reduce energy waste with hot water heaters; (2) making personal choices about using appliances; (3) conducting a…

  12. Marketing Strategies for Recruiting 4-H Members in West Virginia.

    ERIC Educational Resources Information Center

    Wingenbach, Gary J.; Nestor, Cheryl; Lawrence, Layle D.; Gartin, Stacy A.; Woloshuk, Jean; Mulkeen, Patricia

    2000-01-01

    According to a survey of 174 West Virginia 4-H members aged 13-18, the Internet and word of mouth were most effective in recruiting new members. Active messages stressing camps, fun, and friendship had the most influence on retention. A statewide marketing plan was recommended. (SK)

  13. Keys To The Kansas Environment. 4-H School Enrichment Program.

    ERIC Educational Resources Information Center

    Kansas State Univ., Manhattan. Extension Service.

    The 4-H Club packet for preschool and elementary school children contains nine "keys", or short learning exercises, designed to enrich science and environmental education both in and out of the classroom. Each "key" includes the purpose of the activity, the intended audience, the best time of the year for the activity, background information,…

  14. Folkpatterns 4-H Leader's Guide: A Cultural Heritage Project.

    ERIC Educational Resources Information Center

    Kozma, LuAnne Gaykowski

    Folkpatterns is a 4-H program in which young people investigate folklore, cultural traditions, and local history. These materials include a leader's guide and Folkpatterns activities. The leader's guide provides information for leading a Folkpatterns project and 12 sample meeting plans to be used with Folkpatterns members or to be adapted for use…

  15. CONSERVING OUR NATURAL RESOURCES, A 4-H LEADER'S GUIDE.

    ERIC Educational Resources Information Center

    AMICK, W. ROBERT; AND OTHERS

    AN EFFECTIVE 4-H CONSERVATION PROGRAM IS DEVELOPED AROUND THE FOLLOWING BASIC CONCEPTS--(1) MAN IS A PART OF THE NATURAL WORLD, IN WHICH THERE ARE MANY VALUABLE MATERIALS, (2) MAN HAS LEARNED TO USE MANY OF THOSE MATERIALS FOR HUMAN SUSTENANCE AND BETTERMENT, AND (3) MAN'S ECONOMIC, SOCIAL, AND GENERAL WELFARE IS LARGELY DEPENDENT UPON THE MANNER…

  16. Self-Protection: A New Approach to 4-H Health.

    ERIC Educational Resources Information Center

    Wright, Sharon K. B.

    This document introduces the issue of self-protection as the Minnesota 4-H Youth Development response to self-destructive behavior among adolescents. It presents findings from a statewide survey of over 36,000 secondary school students using the Minnesota Adolescent Health Survey. Responses are given in the areas of health, school attitudes,…

  17. The Evaluation Attitudes and Practices of 4-H Educators

    ERIC Educational Resources Information Center

    Lekies, Kristi S.; Bennett, Amanda M.

    2011-01-01

    Extension educators are expected to conduct program evaluation. An Internet survey was sent to county 4-H educators in Ohio to examine their evaluation attitudes and practices, as well as barriers to conducting evaluation. Respondents indicated a range of attitudes about evaluation and limited use of different designs and methods. Having enough…

  18. Implementing and Assessing 4-H Educational Activity Kits for Children

    ERIC Educational Resources Information Center

    Scheer, Scott D.; Yeske, Janine; Zimmer, Bruce

    2011-01-01

    Educational activity kits were developed and implemented through a statewide effort for 4-H Youth Development Extension programs serving 5-8 year-old children. The purpose of the kits was to promote life skills in children and assess the learning environment. Data was collected based on the observations of 577 children across 22 counties. Findings…

  19. A Phenomenological Look at 4-H Volunteer Motives for Service

    ERIC Educational Resources Information Center

    Schrock, Jessalyn; Kelsey, Kathleen D.

    2013-01-01

    Volunteers play a vital role in 4-H programs. Without their service, many programs would not be possible. Understanding volunteer motives provides Extension educators with tools for finding high-quality volunteers. The research reported here used McClelland's (1985) framework for motivation (affiliation, achievement, and power) and…

  20. Phosphorus balance and mineral metabolism with 3 h daily hemodialysis.

    PubMed

    Ayus, J C; Achinger, S G; Mizani, M R; Chertow, G M; Furmaga, W; Lee, S; Rodriguez, F

    2007-02-01

    Poor control of mineral metabolism is independently associated with mortality in patients receiving hemodialysis. We analyzed data from a 12-month, prospective, non-randomized, controlled study of daily hemodialysis (DHD) (six sessions/week 3 h each) (n=26) vs conventional hemodialysis (CHD) (three sessions/week 4 h each) (n=51) for achievement of mineral metabolism goals and we performed a substudy of weekly dialytic phosphorus removal in DHD vs CHD. Phosphorus control was superior in the DHD group (% change from baseline to end-of-study -27+/-30% vs +7%+/-35% in the CHD group, P=0.0001). Percentage of patients using phosphate binders decreased from 77 to 40% among subjects on DHD, whereas these parameters did not change (76 vs 77%) in the CHD group (P=0.03 by Breslow-Day test for homogeneity of the odds ratios). Weekly mean phosphorus removal was higher in the DHD group (2452+/-720 mg/week vs 1572+/-366 mg/week, P=0.04). Mean normalized protein catabolic rate increased (0.90+/-0.43-1.22+/-0.26 g/kg/day, P=0.0013). DHD was also associated with an increase in the percent of subjects achieving three or more mineral metabolism goals (for phosphorus, calcium x phosphorus and parathyroid hormone) (15 vs 46%, P=0.046). In conclusion, DHD improves phosphorus control by increasing dialytic phosphorus removal while maintaining nutritional status and reducing the use of phosphate binders. The net effect allows for improved achievement of mineral metabolism goals. PMID:17191084

  1. Differential binding of /sup 3/H-imipramine and /sup 3/H-mianserin in rat cerebral cortex

    SciTech Connect

    Dumbrille-Ross, A.; Tang, S.W.; Coscina, D.V.

    1981-11-16

    Drug competition profiles, effect of raphe lesion, and sodium dependency of the binding of two antidepressant drugs /sup 3/H-imipramine and /sup 3/H-mianserin to rat cerebral cortex homogenate were compared to examine whether the drugs bound to a common ''antidepressant receptor.'' Of the neurotransmitters tested, only serotonin displaced binding of both /sup 3/H-imipramine and /sup 3/H-mianserin. /sup 3/H-Mianserin binding was potently displaced by serotonin S/sub 2/ antagonists and exhibited a profile similar to that of /sup 3/H-spiperone binding. In the presence of the serotonin S/sub 2/ antagonist spiperone, antihistamines (H/sub 1/) potently displaced /sup 3/H-mianserin binding. /sup 3/H-Imipramine binding was displaced potently by serotonin uptake inhibitors. The order of potency of serotonergic drugs in displacing /sup 3/H-imipramine binding was not similar to their order in displacing /sup 3/H-spiperone or -3H-serotonin binding. Prior midbrain raphe lesions greatly decreased the binding of /sup 3/H-imipramine but did not alter binding of /sup 3/H-mianserin. Binding of /sup 3/H-imipramine but not /sup 3/H-mianserin was sodium dependent. These results show that /sup 3/H-imipramine and /sup 3/H-mianserin bind to different receptors. /sup 3/H-Imipramine binds to a presynaptic serotonin receptor which is probably related to a serotonin uptake recognition site, the binding of which is sodium dependent. /sup 3/H-Mianserin binds to postsynaptic receptors, possibly both serotonin S/sub 2/ and histamine H/sub 1/ receptors, the binding of which is sodium independent.

  2. Synthesis of 16 alpha-/sub 3/H androgen and estrogen substrates for 16 alpha-hydroxylase

    SciTech Connect

    Cantineau, R.; Kremers, P.; De Graeve, J.; Cornelis, A.; Laszlo, P.; Gielen, J.E.; Lambotte, R.

    1981-02-01

    The synthesis of 16 alpha-/sup 3/H androgens and estrogens is described. 1-(/sup 3/H)-Acetic acid in the presence of zinc dust reacts with 16 alpha-bromo-17-ketosteroids to produce 16 alpha-/sup 3/H-17-ketosteroids. This chemical reaction was used to prepare 16 alpha-/sup 3/H-dehydroepiandrosterone (I) and 16 alpha-/sub 4/H-estrone acetate (XI) from 16 alpha-bromo-dehydroepiandrosterone (X) and from 16 alpha-bromo-estrone acetate (XII), respectively. Using appropriate microbiological techniques, it was possible to convert these radiolabelled substrates into 16 alpha-/sup 3/H-androstenedione (II) and 16 alpha-/sup 3/H-estradiol-17 beta (VII). 16 alpha-/sup 3/H-Estrone (VI) was obtained by the chemical hydrolysis of 16 alpha-/sup 3/H-estrone acetate. The label distribution as determined by microbiological 16 alpha-hydroxylations indicated a specific labelling of 77% for androgens and 65% for estrogens in the 16 alpha position. These substrates can be used for measuring the 16 alpha hydroxylase activity, an important step in the biosynthesis of estriol (VIII) and estetrol (IX).

  3. Chloride-based fast homoepitaxial growth of 4H-SiC films in a vertical hot-wall CVD

    NASA Astrophysics Data System (ADS)

    Guoguo, Yan; Feng, Zhang; Yingxi, Niu; Fei, Yang; Xingfang, Liu; Lei, Wang; Wanshun, Zhao; Guosheng, Sun; Yiping, Zeng

    2016-06-01

    Chloride-based fast homoepitaxial growth of 4H-SiC epilayers was performed on 4° off-axis 4H-SiC substrates in a home-made vertical hot-wall chemical vapor deposition (CVD) system using H2‑SiH4‑C2H4‑HCl. The effect of the SiH4/H2 ratio and reactor pressure on the growth rate of 4H-SiC epilayers has been studied successively. The growth rate increase in proportion to the SiH4/H2 ratio and the influence mechanism of chlorine has been investigated. With the reactor pressure increasing from 40 to 100 Torr, the growth rate increased to 52 μm/hand then decreased to 47 μm/h, which is due to the joint effect of H2 and HCl etching as well as the formation of Si clusters at higher reactor pressure. The surface root mean square (RMS) roughness keeps around 1 nm with the growth rate increasing to 49 μm/h. The scanning electron microscope (SEM), Raman spectroscopy and X-ray diffraction (XRD) demonstrate that 96.7 μm thick 4H-SiC layers of good uniformity in thickness and doping with high crystal quality can be achieved. These results prove that chloride-based fast epitaxy is an advanced growth technique for 4H-SiC homoepitaxy. Project supported by the National High Technology R&D Program of China (No. 2014AA041402), the National Natural Science Foundation of China (Nos. 61474113, 61274007, 61574140), the Beijing Natural Science Foundation of China (Nos. 4132076, 4132074), the Program of State Grid Smart Grid Research Institute (No. SGRI-WD-71-14-004), and the Youth Innovation Promotion Association of CAS.

  4. Chloride-based fast homoepitaxial growth of 4H-SiC films in a vertical hot-wall CVD

    NASA Astrophysics Data System (ADS)

    Guoguo, Yan; Feng, Zhang; Yingxi, Niu; Fei, Yang; Xingfang, Liu; Lei, Wang; Wanshun, Zhao; Guosheng, Sun; Yiping, Zeng

    2016-06-01

    Chloride-based fast homoepitaxial growth of 4H-SiC epilayers was performed on 4° off-axis 4H-SiC substrates in a home-made vertical hot-wall chemical vapor deposition (CVD) system using H2-SiH4-C2H4-HCl. The effect of the SiH4/H2 ratio and reactor pressure on the growth rate of 4H-SiC epilayers has been studied successively. The growth rate increase in proportion to the SiH4/H2 ratio and the influence mechanism of chlorine has been investigated. With the reactor pressure increasing from 40 to 100 Torr, the growth rate increased to 52 μm/hand then decreased to 47 μm/h, which is due to the joint effect of H2 and HCl etching as well as the formation of Si clusters at higher reactor pressure. The surface root mean square (RMS) roughness keeps around 1 nm with the growth rate increasing to 49 μm/h. The scanning electron microscope (SEM), Raman spectroscopy and X-ray diffraction (XRD) demonstrate that 96.7 μm thick 4H-SiC layers of good uniformity in thickness and doping with high crystal quality can be achieved. These results prove that chloride-based fast epitaxy is an advanced growth technique for 4H-SiC homoepitaxy. Project supported by the National High Technology R&D Program of China (No. 2014AA041402), the National Natural Science Foundation of China (Nos. 61474113, 61274007, 61574140), the Beijing Natural Science Foundation of China (Nos. 4132076, 4132074), the Program of State Grid Smart Grid Research Institute (No. SGRI-WD-71-14-004), and the Youth Innovation Promotion Association of CAS.

  5. New Jersey 4-H Goat Extravaganza: Efficiently Meeting the Educational Needs of 4-H Goat Project Members, Volunteers, and Parents

    ERIC Educational Resources Information Center

    Ripberger, Chad

    2014-01-01

    The 4-H Goat Extravaganza maximizes limited resources to help youth and adults develop knowledge and skills in goat care and management. It capitalizes on the talents and interests of volunteers to efficiently combine a goat-themed art show, team presentation contest, quiz bowl, skillathon, and adult workshop into 1 day. This article outlines the…

  6. Water Worlds. 4-H Member's Guide M-5-18; 4-H Leaders Guide L-5-18.

    ERIC Educational Resources Information Center

    Hawkes, Janet E.; And Others

    This pocket folder of materials is designed to provide children aged 9 to 12 with an opportunity to explore and observe aquatic environments. The package includes a 4-H Leader's guide, member's guide, and supplementary materials. The leader's guide contains safety considerations, tips and techniques, and additional activities for getting started…

  7. Starting and Maintaining a Marine Aquarium: 4-H Members Guide [and] 4-H Member's Project Record Book.

    ERIC Educational Resources Information Center

    Crenshaw, Neil

    The guide and the project record book included in this document are designed for 4-H members who would like to start a salt-water aquarium project. The guide includes the following topics: (1) general requirements for salt-water aquariums; (2) directions for making an aquarium; (3) suggestions for where to locate it; (4) pros and cons of using…

  8. Composition of saturn's atmosphere at northern temperate latitudes from Voyager iris spectra: NH/sub 3/, PH/sub 3/, C/sub 2/H/sub 2/, C/sub 2/H/sub 6/, CH/sub 3/D, CH/sub 4/, and the saturnian D/H isotopic ratio

    SciTech Connect

    Courtin, R.; Gautier, D.; Marten, A.; Bezard, B.; Hanel, R.

    1984-12-15

    The abundances of minor atmospheric constituents at northern Saturnian latitudes have been inferred from infrared emission spectra recorded by Voyager. The NH/sub 3/, PH/sub 3/, C/sub 2/H/sub 2/, and C/sub 2/H/sub 6/ vertical distributions have been determined from spectra selected in a cloud-free region centered approximately at the latitude of the Voyager 2 radio-occultation point (36.5 N). The NH/sub 3/ mixing ratio in the upper troposphere is found to be compatible with the saturated partial pressure. The inferred PH/sub 3//H/sub 2/ ratio of 1.4 +- 0.8 x 10/sup -6/ is higher than the value derived from the solar P/H ratio, and the PH/sub 3/ vertical profile may extend somewhat into the stratosphere, up to a few millibars. The stratospheric C/sub 2/H/sub 2//H/sub 2/ and C/sub 2/H/sub 6//H/sub 2/ ratios are, respectively, 2.1 +- 1.4 x 10/sup -7/ and 3.0 x 1.1 x 10/sup -6/; the latter decreases sharply below the 20-50 mbar level. A larger selection of spectra yields CH/sub 3/D/H/sub 2/ = 3.9 +- 2.5 x 10/sup -7/ and CH/sub 4//H/sub 2/ = 4.5/sup +2.4//sub -1.9/ x 10/sup -3/. This result implies an enrichment of Saturn's upper atmosphere is carbon by at least a factor of 3 over the solar abundance. The D/H value resulting from our CH/sub 3/D/CH/sub 4/ ratio is 1.6/sup +1.3//sub -1.2/ x 10/sup -5/, significantly lower than previous determinations obtained from HD lines; it is also less than half of the IRIS-inferred Jovian value. Finally, the interpretation of two NH/sub 3/ lines in the 5 ..mu..m window suggests a NH/sub 3/H/sub 2/ ratio at the 2 bar level below the solar value.

  9. Pressure Effects on Product Channels of the Allyl Radical Reactions; C3H5+C3H5 and C3H5+CH3

    NASA Astrophysics Data System (ADS)

    Halpern, J. B.; N'Doumi, M.; Fahr, A.

    2011-12-01

    Relatively large hydrocarbon molecules (C4, C6 and larger) have been detected in several planetary environments. The mechanism for the formation of such large molecular species and detailed mechanism for their potential destruction are not well understood and are of considerable current interest. Previously we have studied the kinetics and product channels of small unsaturated hydrocarbon radical (C2 and C3s) reactions relevant to planetary atmospheric modeling. Reactions of C2 radicals (such as vinyl, H2CCH and ethynyl C2H) and C3 radicals (such as propargyl, HCCCH2) can affect the abundances of a large number of stable observable C3, C4, C5, C6 and larger molecules, including linear, aromatic and even poly aromatic molecules. Pressure-dependent product yields have been determined experimentally for the self- and cross-radical reactions performed at 298 K and at pressures between ~4 Torr (0.5 kPa) and 760 Torr (101 kPa). Final reaction products were quantitatively determined using a gas chromatograph with mass spectrometry/flame ionization detection (GC/MS/FID). In some cases complementary computational studies extended the pressure and temperature range of the experiments and provided valuable information on the complex reaction mechanisms. Theses studies provide a systematic framework so that important energetic and structural parameters for radical-radical reactions can be assessed. Here we report recent results for the allyl radical reactions H2CCCH3+ H2CCCH3 and H2CCCH3+CH3. For the allyl radical self-reaction, at high pressures the "head -to-head", combination channel forming 1,5-hexadiene is dominant with a combination/disproportionation = 1,5-hexadiene/propyne ratio of about 24 at 500 Torr (67 kPa, T=298K). At low pressures the ratio is substantially reduced to about 1.2 (at 0.3 kPa) and other major products are observed including allene, propene, 1-butene and propyne.

  10. Measurement of lactate formation from glucose using (6- sup 3 H)- and (6- sup 14 C)glucose in humans

    SciTech Connect

    Virkamaeki, A.P.; Puhakainen, I.; Nurjhan, N.; Gerich, J.E.; Yki-Jaervinen, H. )

    1990-09-01

    To assess the validity of determining the origin of plasma lactate from the ratio of lactate and glucose specific activities (SA) during infusion of labeled glucose, normal subjects received infusions of (6-3H)- and (6-14C)glucose for 4 h after a 12 h fast, and, on another day, cold glucose labeled with both tracers during 4-6 h of hyperinsulinemia (approximately 650 microU/ml). Basally, less lactate was derived from plasma glucose when measured with (6-3H)glucose (27 +/- 2%) than with (6-14C)glucose (40 +/- 2%, P less than 0.001). Insulin did not increase the percent of lactate derived from plasma glucose when measured with (6-3H)glucose (29 +/- 2%) but did increase when measured with (6-14C)glucose (60 +/- 4%). The arterialized blood (A) (3H)lactate SA was 30-40% higher (P less than 0.01) than deep venous blood (V) (3H)lactate SA, whereas A and V (14C)lactate SA were similar. During conversion of alanine to lactate with glutamic-pyruvic transaminase (GPT) and lactate dehydrogenase (LDH) in vitro, 32 +/- 2% of 3H in (3-3H)alanine was found in water and 68 +/- 2% in lactate. During infusion of (6-3H)- and (6-14C)glucose, the ratio of (14C)alanine to lactate SA (0.88 +/- 0.05) was less than the ratio of (3H)alanine to lactate SA (0.31 +/- 0.03, P less than 0.001). In conclusion (1) loss of 3H relative to 14C from position 6 in glucose occurs during lactate formation in extrahepatic tissues possibly due to the GPT reaction (alanine conversion to pyruvate), and (2) even under supraphysiologic hyperinsulinemic conditions not all of plasma lactate originates from plasma glucose.

  11. Melting of H2SO4·4H2O Particles upon Cooling: Implications for Polar Stratospheric Clouds

    PubMed

    Koop; Carslaw

    1996-06-14

    Polar stratospheric clouds (PSCs) are important for the chemical activation of chlorine compounds and subsequent ozone depletion. Solid PSCs can form on sulfuric acid tetrahydrate (SAT) (H2SO4·4H2O) nuclei, but recent laboratory experiments have shown that PSC nucleation on SAT is strongly hindered. A PSC formation mechanism is proposed in which SAT particles melt upon cooling in the presence of HNO3 to form liquid HNO3-H2SO4-H2O droplets 2 to 3 kelvin above the ice frost point. This mechanism offers a PSC formation temperature that is defined by the ambient conditions and sets a temperature limit below which PSCs should form.

  12. Comparison of (/sup 3/H)nicotine and (/sup 3/H)acetylcholine binding in mouse brain: regional distribution

    SciTech Connect

    Sershen, H.; Reith, M.E.; Hashim, A.; Lajtha, A.

    1985-06-01

    In a continuing study of nicotine binding sites, the authors determined the relative amount of nicotine binding and acetylcholine binding in various brain regions of C57/BL and of DBA mice. Although midbrain showed the highest and cerebellum the lowest binding for both (/sup 3/H)nicotine and (/sup 3/H)acetylcholine, the ratio of nicotine to acetylcholine binding showed a three-fold regional variation. Acetylcholine inhibition of (/sup 3/H)nicotine binding indicated that a portion of nicotine binding was not inhibited by acetylcholine. These results indicate important differences between the binding of (+/-)-(/sup 3/H)nicotine and that of (/sup 3/H)acetylcholine.

  13. Apically Linked Small Metallacarborane Clusters. Directed Synthesis and Structural Characterization of 7,7'-[CpCo(2,3-Et(2)C(2)B(4)H(3)](2) and [CpCo(2,3-Et(2)C(2)B(4)H(3)-7)](2)X Complexes (X = MeCH, HC=CH, C&tbd1;C)(,)(1).

    PubMed

    Curtis, Michael A.; Müller, Thomas; Beez, Volker; Pritzkow, Hans; Siebert, Walter; Grimes, Russell N.

    1997-08-13

    A series of novel bis(cobaltacarboranyl) (CoC(2)B(4))(2)X dicluster complexes whose B(7) (apex) atoms are linked by organic moieties involving sp-, sp(2)-, or sp(3)-hybridized carbon, or by a direct B(7)-B(7') bond, has been prepared by extension of the recently described "recapitation" method (Curtis, M. A.; et al. Inorg. Chem. 1996, 35, 6703) that entails treatment of 6-vertex nido-CoC(2)B(3) dianions with monoboron reagents. Reactions of Li(2)[nido-CpCo(Et(2)C(2)B(3)H(3))] in toluene with MeCH(BCl(2))(2) and with cis-(BCl(2))C(2)H(2) gave, respectively, [CpCo(2,3-Et(2)C(2)B(4)H(3)-7-)](2)MeCH (5) and cis-[CpCo(2,3-Et(2)C(2)B(4)H(3)-7-)](2)C(2)H(2) (6a) following chromatographic separation. Ultraviolet irradiation of 6a induced partial conversion to the trans isomer 6b, affording a 46:54 trans/cis equilibrium mixture in 84 h. Reactions of the same cobaltacarborane dianion with bis(catecholboryl)acetylene and with bis(catecholdiboryl) gave [CpCo(2,3-Et(2)C(2)B(4)H(3)-7-)](2)C(2) (7) and [CpCo(2,3-Et(2)C(2)B(4)H(3)-7-)](2) (8), respectively. The new complexes were isolated as air-stable, crystalline orange solids and were characterized from their (1)H, (11)B, and (13)C NMR, IR, UV-visible, and mass spectra, supported by X-ray crystallographic studies of 5, 6a, 7, and 8. Crystal data for 5: space group P2(1)ca (orthorhombic); a = 14.220(10) Å, b = 15.690(10) Å, c = 16.860(10) Å, Z = 4; R = 0.041 for 7485 independent reflections. Crystal data for 6a: space group C2/c (monoclinic); a = 12.849(6) Å, b = 11.435(6) Å, c = 25.619(13) Å, beta = 96.230(10) degrees; Z = 4; R = 0.036 for 5440 independent reflections. Crystal data for 7: space group P2(1)/n (monoclinic); a = 17.298(12) Å, b = 13.932(10) Å, c = 30.82(2) Å, beta = 96.34(5) degrees; Z = 8; R = 0.070 for 9632 independent reflections. Crystal data for 8: space group P&onemacr; (triclinic); a = 9.150(10) Å, b = 10.270(10) Å, c = 10.340(10) Å, alpha = 84.52(5) degrees, beta = 78.05(5) degrees, gamma = 68

  14. Single freezing and triple melting of micrometre-scaled (NH4)2SO4/H2O droplets.

    PubMed

    Bogdan, Anatoli; Molina, Mario J; Tenhu, Heikki; Loerting, Thomas

    2011-11-28

    Atmospheric aerosol droplets containing NH(4)(+) and SO(4)(2-) ions are precursors of cirrus ice clouds. However, the low-temperature phase transformation of such droplets is not understood yet. Here we show for the first time that micrometre-scaled (NH(4))(2)SO(4)/H(2)O droplets produce one freezing event but three melting events which are the melting of (i) pure ice, (ii) eutectic ice/(NH(4))(2)SO(4), and (iii) eutectic ice/(NH(4))(3)H(SO(4))(2). We also find that the melting of ice/(NH(4))(3)H(SO(4))(2) consists of two eutectic melting events, presumably ice/letovicite-II and ice/letovicite-III.

  15. /sup 2/H-NMR studies of hypocotyl cell walls of germinating beams supplied with perdeuterated myo-inositol

    SciTech Connect

    Sasaki, K.; Wallace, J.C.; MacKay, A.L.; Balza, F.; Taylor, I.E.P.

    1987-04-01

    When myo-(2-/sup 3/H) inositol (MI) was supplied to bean seeds by imbibition, only uronic acid, arabinose and xylose residues of cell wall polysaccharides were labeled. To study the structural mobility of the uronic acid- and/or pentose-rich polysaccharides in cell wall using /sup 2/H-NMR, the authors supplied perdeuterated MI with (2-/sup 3/H) MI to germinating bean seeds. Perdeuterated MI was prepared by the /sup 1/H-/sup 2/H exchange reaction of MI in deuterium oxide with Raney nickel. During the exchange reaction, extensive epimerization occurred and at least 6 inositol epimers in addition to MI were identified in the reaction mixture of GC/MS. The perdeuterated MI was completely resolved from other inositol epimers and purified by anion-exchange chromatography using Dowex 1 (borate form) and by crystallization. The /sup 2/H-NMR analysis resolved the /sup 2/H-labeled hypocotyl cell walls into two components (rigid and mobile components). They also report the distribution of /sup 2/H and /sup 3/H from perdeuterated and (2-/sup 3/H) MI in the cell wall sugar residues.

  16. Anionic ordering and thermal properties of FeF3·3H2O

    DOE PAGES

    Burbano, Mario; Duttine, Mathieu; Borkiewicz, Olaf; Wattiaux, Alain; Demourgues, Alain; Salanne, Mathieu; Groult, Henri; Dambournet, Damien

    2015-09-17

    In this study, iron fluoride tri-hydrate can be used to prepare iron hydroxyfluoride with the Hexagonal-Tungsten-Bronze (HTB) type structure, a potential cathode material for batteries. To understand this phase transformation, a structural description of β-FeF3·3H2O is first performed by means of DFT calculations and Mössbauer spectroscopy. The structure of this compound consists of infinite chains of [FeF6]n and [FeF2(H2O)4]n. The decomposition of FeF3·3H2O induces a collapse and condensation of these chains, which lead to the stabilization, under specific conditions, of a hydroxyfluoride network FeF3-x(OH)x with the HTB structure. The release of H2O and HF was monitored by thermal analysis andmore » physical characterizations during the decomposition of FeF3·3H2O. An average distribution of FeF4(OH)2 distorted octahedra in HTB-FeF3-x(OH)x was obtained subsequent to the thermal hydrolysis/olation of equatorial anionic positions involving F- and H2O. This study provides a clear understanding of the structure and thermal properties of FeF3·3H2O, a material that can potentially bridge the recycling of pickling sludge from the steel industry by preparing battery electrodes.« less

  17. Anionic ordering and thermal properties of FeF3·3H2O.

    PubMed

    Burbano, Mario; Duttine, Mathieu; Borkiewicz, Olaf; Wattiaux, Alain; Demourgues, Alain; Salanne, Mathieu; Groult, Henri; Dambournet, Damien

    2015-10-01

    Iron fluoride trihydrate can be used to prepare iron hydroxyfluoride with the hexagonal-tungsten-bronze (HTB) type structure, a potential cathode material for batteries. To understand this phase transformation, a structural description of β-FeF3·3H2O is first performed by means of DFT calculations and Mössbauer spectroscopy. The structure of this compound consists of infinite chains of [FeF6]n and [FeF2(H2O)4]n. The decomposition of FeF3·3H2O induces a collapse and condensation of these chains, which lead to the stabilization, under specific conditions, of a hydroxyfluoride network FeF3-x(OH)x with the HTB structure. The release of H2O and HF was monitored by thermal analysis and physical characterizations during the decomposition of FeF3·3H2O. An average distribution of FeF4(OH)2 distorted octahedra in HTB-FeF3-x(OH)x was obtained subsequent to the thermal hydrolysis/olation of equatorial anionic positions involving F(-) and H2O. This study provides a clear understanding of the structure and thermal properties of FeF3·3H2O, a material that can potentially bridge the recycling of pickling sludge from the steel industry by preparing battery electrodes. PMID:26378743

  18. Molecular-beam experiments for photodissociation of propenal at 157 nm and quantum-chemical calculations for migration and elimination of hydrogen atoms in systems C3H4O and C3H3O

    NASA Astrophysics Data System (ADS)

    Chin, Chih-Hao; Chaudhuri, Chanchal; Lee, Shih-Huang

    2011-07-01

    We investigated the dynamics of photodissociation of propenal (acrolein, CH2CHCHO) at 157 nm in a molecular beam and of migration and elimination of hydrogen atoms in systems C3H4O and C3H3O using quantum-chemical calculations. Compared with the previous results of photodissociation of propenal at 193 nm, the major difference is that the C3H3O fragment present at the 193-nm photolysis disappears at the 157-nm photolysis whereas the C3H2O fragment absent at 193 nm appears at 157 nm. Optimized structures and harmonic vibrational frequencies of molecular species with gross formula C3H2-4O were computed at the level of B3LYP/6-311G(d,p) and total energies of those molecules at optimized structures were computed at the level of CCSD(T)/6-311+G(3df,2p). Based on the calculated potential-energy surfaces, we deduce that the C3H3O fragment observed in the photolysis of propenal at 193 nm is probably CHCCHOH (2A″) and/or CH2CCOH (2A″) produced from an intermediate hydroxyl propadiene (CH2CCHOH) following isomerization. Adiabatic and vertical ionization potentials of eight isomers of C3H3O and two isomers of C3H2O were calculated; CHCCHOH (2A″) and CH2CCOH (2A″) have ionization potentials in good agreement with the experimental value of ˜7.4 eV. We also deduce that all the nascent C3H3O fragments from the photolysis of propenal at 157 nm spontaneously decompose mainly to C2H3 + CO and C3H2O + H because of the large excitation energy. This work provides profound insight into the dynamics of migration and elimination of hydrogen atoms of propenal optically excited in the vacuum-ultraviolet region.

  19. Synthesis and characterization of 3H-labelled tetrahydrobiopterin.

    PubMed Central

    Werner, E R; Schmid, M; Werner-Felmayer, G; Mayer, B; Wachter, H

    1994-01-01

    We synthesized [3'-3H]-5,6,7,8-tetrahydrobiopterin from [8,5'-3H]guanosine 5'-triphosphate ([8,5'-3H]GTP) using GTP cyclohydrolase (EC 3.5.4.16), 6-pyruvoyltetrahydropterin synthase and sepiapterin reductase (EC 1.1.1.153). After purification by cation-exchange h.p.l.c. a solution of radiochemically pure (> 95%) [3'-3H]-5,6,7,8-tetrahydrobiopterin with a specific activity of 9.2 Ci/mmol was obtained. The product proved well suited for studying the binding of tetrahydrobiopterin to nitric-oxide synthase. PMID:7528005

  20. Crystal structure of 4-benzyl-2H-benzo[b][1,4]thia­zin-3(4H)-one

    PubMed Central

    Sebbar, N. K.; Ellouz, M.; Essassi, E. M.; Ouzidan, Y.; Mague, J. T.

    2015-01-01

    In the title compound, C15H13NOS, the thia­zine ring adopts a twisted boat conformation and the dihedral angle between the aromatic rings is 86.54 (4)°. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions, resulting in chains along [010]. PMID:26870571

  1. Dissociative recombination of N2H+

    NASA Astrophysics Data System (ADS)

    dos Santos, S. Fonseca; Ngassam, V.; Orel, A. E.; Larson, Å.

    2016-08-01

    The direct and indirect mechanisms of dissociative recombination of N2H+ are theoretically studied. At low energies, the electron capture is found to be driven by recombination into bound Rydberg states, while at collision energies above 0.1 eV, the direct capture and dissociation along electronic resonant states becomes important. Electron-scattering calculations using the complex Kohn variational method are performed to obtain the scattering matrix as well as energy positions and autoionization widths of resonant states. Potential-energy surfaces of electronic bound states of N2H and N2H+ are computed using structure calculations with the multireference configuration interaction method. The cross section for the indirect mechanism is calculated using a vibrational frame transformation of the elements of the scattering matrix at energies just above the ionization threshold. Here vibrational excitations of the ionic core from v =0 to v =1 and v =2 for all three normal modes are considered and autoionization is neglected. The cross section for the direct dissociation along electronic resonant states is computed with wave-packet calculations using the multiconfiguration time-dependent Hartree method, where all three internal degrees of freedom are considered. The calculated cross sections are compared to measurements.

  2. A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)

    SciTech Connect

    Yang Jie; Shen Lei; Yang Gaowen; Li Qiaoyun; Shen Wei; Jin Jianning; Zhao Jingjing; Dai Jian

    2012-02-15

    Reaction of MCl{sub 2}{center_dot}4H{sub 2}O (M=Zn, Cd, Mn, Co, Ni) with 2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid (Hpztza) yielded a set of new M(II)/pztza complexes, [Cd(pztza){sub 2}(H{sub 2}O){sub 6}]{center_dot}3H{sub 2}O{center_dot}(Hpztza) (1), [M(pztza){sub 2}(H{sub 2}O){sub 2}; M=Cd(2), Zn(7), Mn(9)], [Cd(pztza){sub 2}]{center_dot}2(CH{sub 3}OH) (3), [Co(pztza){sub 2}(H{sub 2}O){sub 2}]{center_dot}6H{sub 2}O (4), [Co(pztza)(H{sub 2}O)Cl] (6) and [M(pztza){sub 2}(H{sub 2}O){sub 2}]{center_dot}2H{sub 2}O [M=Co(5), Zn(8), Ni(10)]. These compounds were structurally characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. Complex 1 featured a mononuclear structure, complexes 4, 5, 7, 8, 10 showed 1D chains and complexes 2, 3, 6, 9 displayed 2D layer structures. Furthermore, the luminescence properties of 1-10 were investigated at room temperature in the solid state. - Graphical abstract: Ten new coordination polymers with 2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid (Hpztza) ligand have been synthesized and their structures have been characterized. All of the complexes show photoluminescence at room temperature. Highlights: Black-Right-Pointing-Pointer Ten novel transition metal-based coordination complexes with 2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid (Hpztza) are reported. Black-Right-Pointing-Pointer Complexes 1-10 are described as mononuclear structure, 1D and 2D frameworks with diverse architecture. Black-Right-Pointing-Pointer Six coordination complexes show emission at room temperature in the solid state.

  3. Partial chemical characterization of cyclopyrrolones ((/sup 3/H) suriclone) and benzodiazepines ((/sup 3/H)flunitrazepam) binding site: Differences

    SciTech Connect

    Zundel, J.L.; Blanchard, J.C.; Julou, L.

    1985-06-10

    Rat hippocampus membranes were treated with several protein modifying reagents (iodoacetamide, N-ethylmaleimide, tetranitromethane and N-acetylimidazole). The effects of these treatments on the binding sites of cyclopyrrolones ((/sup 3/H) suriclone), a new chemical family of minor tranquilizers, and benzodiazepines ((/sup 3/H) flunitrazepam) were investigated. Here the authors show that both ligands are similarly sensitive to cysteine alkylation: (/sup 3/H) suriclone and (/sup 3/H) flunitrazepam binding are reduced by iodoacetamide and slightly increased by N-ethylmaleimide. On the contrary they are clearly differentiated by tyrosine modification: (/sup 3/H) suriclone binding is not changed whereas (/sup 3/H) flunitrazepam binding is increased by tetranitromethane and decreased by N-acetylimidazole. The present findings and published evidence suggest cyclopyrrolones and benzodiazepines bind to distinct sites or to different allosteric forms of the benzodiazepine receptor. 28 references, 6 figures.

  4. 4H-SiC detectors for ultraviolet light monitoring

    NASA Astrophysics Data System (ADS)

    Mazzillo, M.; Sciuto, A.; Badalà, P.; Carbone, B.; Russo, A.; Coffa, S.

    2015-02-01

    Silicon Carbide (SiC) provides the unique property of near-perfect visible blindness and very high signal-to-noise ratio due to the high quantum efficiency and low dark current even at high temperature. These features make SiC the best available material for the manufacturing of visible blind semiconductor ultraviolet (UV) light detectors. Thanks to their properties, SiC detectors have been extensively used in fact for flame detection monitoring, UV sterilization and astronomy. Here we report on the electrical and optical performance of patterned thin metal film NiSi/4H-SiC vertical Schottky photodiodes with different semiconductor exposed area suitably designed for UV light monitoring.

  5. Experimental investigations of the hypernucleus Λ4H

    NASA Astrophysics Data System (ADS)

    Achenbach, P.; Schulz, F.; Aulenbacher, S.; Beričič, J.; Bleser, S.; Böhm, R.; Bosnar, D.; Correa, L.; Distler, M. O.; Esser, A.; Fonvieille, H.; Friščić, I.; Fujii, Y.; Fujita, M.; Gogami, T.; Kanda, H.; Kaneta, M.; Kegel, S.; Kohl, Y.; Kusaka, W.; Margaryan, A.; Merkel, H.; Mihovilovič, M.; Müller, U.; Nagao, S.; Nakamura, S. N.; Pochodzalla, J.; Sanchez Lorente, A.; Schlimme, B. S.; Schoth, M.; Sfienti, C.; Širca, S.; Steinen, M.; Takahashi, Y.; Tang, L.; Thiel, M.; Tsukada, K.; Tyukin, A.; Weber, A.

    2016-03-01

    Negatively charged pions from two-body decays of stopped Λ4H hypernuclei were studied in 2012 at the Mainz Microtron MAMI, Germany. The momenta of the decay-pions were measured with unprecedented precision by using high-resolution magnetic spectrometers. A challenge of the experiment was the tagging of kaons from associated K+∧ production off a Be target at very forward angles. In the year 2014, this experiment was continued with a better control of the systematic uncertainties, with better suppression of coincident and random background, improved particle identification, and with higher luminosities. Another key point of the progress was the improvement in the absolute momentum calibration of the magnetic spectrometers.

  6. Radiotoxicities of (/sup 3/H)thymidine and of (/sup 3/H)arginine compared in mouse embryos in vitro

    SciTech Connect

    Mueller, W.U.S.; Streffer, C.; Molls, M.; Glueck, L.

    1987-05-01

    Tritium that is bound to organic molecules is of special risk for living systems, in particular when such molecules are components of the cell nucleus. Therefore, (/sup 3/H)thymidine and (/sup 3/H)arginine were studied for radiotoxicity in early mammalian embryo development. Starting with the two-cell stage, mouse embryos were incubated in vitro with (/sup 3/H)thymidine or (/sup 3/H)arginine at either 370 Bq/ml (10 nCi/ml) or 925 Bq/ml (25 nCi/ml). Development in vitro was followed up to the formation of the inner cell mass at 192 h postconception (p.c.). There was no difference in radiotoxicity of the two substances with respect to cell proliferation; however, formation of blastocysts, hatching of blastocysts, trophoblast outgrowth, and formation of inner cell mass were impaired more strongly by (/sup 3/H)arginine than by (/sup 3/H)thymidine when the external exposure concentrations were the same. Similarly, micronuclei were seen in blastocysts at 96 h p.c. at higher frequency after incubation with (/sup 3/H)arginine. However, uptake of (/sup 3/H)arginine by the embryos was considerably faster than that of (/sup 3/H)thymidine, and this most probably accounts for the apparent difference in radiotoxicity.

  7. Parkinson's disease: decreased density of /sup 3/H-imipramine and /sup 3/H-paroxetine binding sites in putamen

    SciTech Connect

    Raisman, R.; Cash, R.; Agid, Y.

    1986-04-01

    The density of high-affinity /sup 3/H-imipramine and /sup 3/H-paroxetine binding sites (two serotonin-uptake blockers) was decreased in the putamen of parkinsonian patients. The correlation between serotonin levels and the number of /sup 3/H-imipramine and /sup 3/H-paroxetine binding sites suggests that they are located on serotoninergic nerve terminals and could be used to study serotoninergic innervation in the human brain. Since imipramine and paroxetine are powerful antidepressants, these results furthermore suggest that decreased serotoninergic transmission may be implicated in the pathophysiology of depression in Parkinson's disease.

  8. Extended defects in 4H-silicon carbide homoepitaxial layers

    NASA Astrophysics Data System (ADS)

    Zhang, Xuan

    The purpose of this thesis is to study the structure of extended defects in 4H-SIC homoepitaxial layers, and to identify their nucleation mechanisms. Characteristics of basal plane dislocations in 4H-SiC epilayers were investigated in a comprehensive manner, including their morphologies, Burgers' vectors, positions, and correlation with the extended defects propagating from the substrate. Plan-view transmission x-ray topography was the major characterization technique used in this study. Complementary data was obtained by KOH etching and optical microscopy. Trace of glide was detected on every basal plane dislocation in the entire 3-inch epilayer. In the center area of the epi-wafer, the glide can extend to macroscopic distance and form edge-type dislocations at the epilayer/surface interface. During the motion, dislocation half loop arrays were found to nucleate at the growth front. The magnitude of the resolved shear stress was estimated based on the radius of curvature of the dislocation lines. It surpassed the critical resolved shear stress at the epitaxial growth temperature. The stress was identified to be compressive in the epilayer. Its origin was studied. Nitrogen-doping-difference-induced misfit strain was excluded as the source of the stress. The structures of two morphological defects, 'carrots' and 'arrows', were studied. Cross-section x-ray topography was used to image the structure of carrot defect in whole. The defect was found to nucleate at the epilayer/substrate interface on a threading screw dislocation propagating from the substrate. Its structure was mainly composed of a prismatic stacking fault and a Frank-type basal plane stacking fault. The arrow defect was found to be produced by a spheroid shape inclusion in the volume of the epilayer. Zone axis diffraction pattern under transmission electron microscope identified the nature of the inclusion as 3C-SIC. It was determined to nucleate at the substrate surface contaminations.

  9. Comparison of ( sup 3 H)Phencyclidine (( sup 3 H)PCP) and ( sup 3 H) N-(1-(2-thienyl) cyclohexyl)piperidine (( sup 3 H)TCP) binding properties to rat and human brain membranes

    SciTech Connect

    Vignon, J.; Chaudieu, I.; Allaoua, H.; Journod, L.; Javoy-Agid, F.; Agid, Y.; Chicheportiche, R.

    1989-01-01

    The investigation of ({sup 3}H)PCP and ({sup 3}H)TCP binding properties to rat cerebrum and cerebellum resulted in the demonstration of multiple binding sites for the two drugs. In the two tissue preparations PCP had a lower affinity than TCP. In membranes from the cerebrum an equal number of high affinity binding sites were present for ({sup 3}H)PCP and ({sup 3}H)TCP. However, low affinity binding sites were two times more numerous for ({sup 3}H)PCP than for ({sup 3}H)TCP. In the cerebellum, the number of high and low affinity sites labeled by the two radioligands was identical, but the number of high affinity sites was about 7 fold lower than in cerebrum. In human cerebral cortex samples ({sup 3}H)TCP also bound to two different sites. The number of high and low affinity sites were 12 and 3 times, respectively, less abundant than in the rat cerebrum. Low affinity sites were of higher affinity than corresponding sites in the rat brain. In the human cerebellum ({sup 3}H)TCP binding parameters were identical to those measured in the same region in the rat.

  10. Intergenerational Panels at Centennial Events: Stimulating Discussion about Continuity and Change in the 4-H Program

    ERIC Educational Resources Information Center

    Kaplan, Matthew S.; Weikert, Ben; Scholl, Jan; Rushton, Mya

    2013-01-01

    This article introduces an intergenerational strategy for organizations planning centennial celebratory events. The methods and findings from the 4-H through the Generations session conducted at the joint 4-H Leadership Conference and 4-H Leaders Forum to celebrate the Pennsylvania 4-H Centennial are reported. Youth and adult participants shared…

  11. North Central Region 4-H Volunteers: Documenting Their Contributions and Volunteer Development

    ERIC Educational Resources Information Center

    Nippolt, Pamela Larson; Pleskac, Sue; Schwartz, Vicki; Swanson, Doug

    2012-01-01

    Documenting volunteer contributions strengthens Extension partnerships with volunteers. A team of North Central Region 4-H volunteer specialists collaborated to conduct a study of 4-H volunteer contributions and impacts related to working with youth within the 4-H program. Over three thousand (3,332) 4-H volunteers from throughout the 12-state…

  12. Autoradiographic analysis of 3H-glutamate, 3H-dopamine, and 3H-GABA accumulation in rabbit retina after kainic acid treatment

    SciTech Connect

    Hampton, C.K.; Redburn, D.A.

    1983-01-01

    We have previously reported that exposure of isolated rabbit retina to 10(-3) M kainic acid produces profound morphological changes in specific retinal neurons (Hampton et al, 1981). We noted specific swelling of horizontal cell bodies and neurites, necrosis of cell bodies in the amacrine and ganglion cell layers, and swelling of elements in the inner plexiform layer. We now report a differential sensitivity to kainic acid of specific subclasses of amacrine cells autoradiographically labeled with 3H-glutamate, 3H-GABA, or 3H-dopamine. Three different effects were observed: (1) Labeling of neurons after incubation in 3H-glutamate was uniformly reduced while labeling of glia was much less affected. (2) The accumulation of 3H-dopamine was also decreased by kainic acid in two of the three labeled bands of the inner plexiform layer. The outermost labeled band was insensitive to kainic acid at the highest concentration tested (10(-2) M). These findings provide a basis for the subclassification of dopaminergic amacrine cells into at least two subclasses based on their sensitivity to kainic acid. (3) Kainic acid caused a dramatic increase in the labeling of GABAergic amacrine cell bodies and their terminals. This increased intensity may reflect a compensatory increase in uptake activity in response to kainic acid-induced depletion of endogenous GABA stores. These results confirm the highly toxic nature of kainic acid and demonstrate a high degree of specificity and complexity in its action in the retina.

  13. Synthesis Of [2h, 13c] And [2h3, 13c]Methyl Aryl Sulfides

    DOEpatents

    Martinez, Rodolfo A.; Alvarez, Marc A.; Silks, III, Louis A.; Unkefer, Clifford J.

    2004-03-30

    The present invention is directed to labeled compounds, [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2, .sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfides wherein the .sup.13 C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are each independently, hydrogen, a C.sub.1 -C.sub.4 lower alkyl, a halogen, an amino group from the group consisting of NH.sub.2, NHR and NRR' where R and R' are each a C.sub.1 -C.sub.4 lower alkyl, a phenyl, or an alkoxy group. The present invention is also directed to processes of preparing [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2,.sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfides wherein the .sup.13 C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms. The present invention is also directed to the labeled compounds of [.sup.2 H.sub.1, .sup.13 C]methyl iodide and [.sup.2 H.sub.2, .sup.13 C]methyl iodide.

  14. Localization of [3H]nicotine, [3H]cytisine, [3H]epibatidine, and [125I]alpha-bungarotoxin binding sites in the brain of Macaca mulatta.

    PubMed

    Han, Zhi-Yan; Zoli, Michele; Cardona, Ana; Bourgeois, Jean-Pierre; Changeux, Jean-Pierre; Le Novère, Nicolas

    2003-06-16

    We determined the localization of [(3)H]nicotine, [(3)H]cytisine, [(3)H]epibatidine, and [(125)I]alpha-bungarotoxin binding sites in the brain of rhesus monkey by means of receptor autoradiography. The labelings by [(3)H]nicotine, [(3)H]cytisine, and [(3)H]epibatidine were highly concordant, except for epibatidine. Layer IV of some cortical areas, most thalamic nuclei, and presubiculum displayed high levels of labeling for the three ligands. Moderate levels of binding were detected in the subiculum, the septum, and the mesencephalon. Low levels were present in layers I-II and VI of the cortex, the cornu Ammonis, the dentate gyrus, and the amygdala. In addition, the level of epibatidine labeling was very high in the epithalamic nuclei and the interpeduncular nucleus, whereas labeling by nicotine and cytisine was very weak in the same regions. The distribution of [(125)I]alpha-bungarotoxin binding differed from the binding of the three agonists. The labeling was dense in layer I of most cortical areas, dentate gyrus, stratum lacunosum-moleculare of CA1 field, several thalamic nuclei, and medial habenula. A moderate labeling was found in layers V and VI of the prefrontal and frontal cortices, layer IV of primary visual cortex, amygdala, septum, hypothalamus, and some mesencenphalic nuclei. A weak signal was also detected in subiculum, claustrum, stratum oriens, and stratum lucidum of cornu Ammonis and also in some mesencephalic nuclei. The distribution of nicotine, cytisine, and epibatidine bindings corresponds broadly to the patterns observed in rodents, with the marked exception of the epithalamus. However, in monkey, those distributions match the distribution of alpha2 messenger RNA, rather than that of alpha4 transcripts as it exists in rodent brains. The distribution of the binding sites for alpha-bungarotoxin is larger in the brain of rhesus monkeys than in rodent brain, suggesting a more important role of alpha7 receptors in primates.

  15. Thz Spectroscopy of D_2H^+

    NASA Astrophysics Data System (ADS)

    Yu, Shanshan; Pearson, John; Amano, Takayoshi

    2015-06-01

    Pure rotational transitions of D_2H^+ observed by high-resolution spectroscopy have been limited so far to the J = 110-101 transition at 691.7 GHz, J=220-211 at 1.370 THz, and J=111-000 at 1.477 THz. As this ion is a light asymmetric-top molecule, spectroscopic characterization and prediction of other rotational transition frequencies are not straightforward. In this presentation, we extended the measurements up to 2 THz by using the JPL frequency multiplier chains, and observed three new THz lines and re-measured the three known transitions. D_2H^+ was generated in an extended negative glow discharge cell cooled to liquid nitrogen temperature. Six rotational transition frequencies together with the combination differences derived from three fundamental bands were subject to least square analysis to determine the molecular constants. New THz measurements are definitely useful for better characterization of spectroscopic properties. The improved molecular constants provide better predictions of other unobserved rotational transitions. T. Hirao and T. Amano, Ap. J.,597, L85 (2003) K. M. Evenson et al cited by O. L. Polyansky and A. R. W. McKellar, J. Chem. Phys., 92, 4039 (1990) O. Asvany et al, Phys. Rev. Lett., 100, 233004 (2008)

  16. New zinc-glycine-iodide complexes as a product of equilibrium and non-equilibrium crystallization in the Gly - ZnI2 - H2O system

    NASA Astrophysics Data System (ADS)

    Tepavitcharova, S.; Havlíček, D.; Matulková, I.; Rabadjieva, D.; Gergulova, R.; Plocek, J.; Němec, I.; Císařová, I.

    2016-09-01

    Equilibrium crystallization of two anhydrous complex compounds, [Zn(gly)2I2] and [Zn(gly)I2], and non-equilibrium crystallization of the [Zn3(H2O)4(μ-gly)2I6] complex have been observed in the Gly - ZnI2 - H2O system at 25°C. Different mixed zinc-glycine-iodide-aqua complexes exist in the studied solutions and those with the highest activity are responsible for the crystallization process. The stable [ZnI2O2(2Gly)]0 complexes are responsible for the large equilibrium crystallization field of the compound [Zn(gly)2I2] (monoclinic system, C2/c space group), in whose crystal structure they are incorporated as discrete distorted electroneutral tetrahedra. In zinc-iodide solutions with a low water activity it is more probable that the glycine zwitterions act as bidentate ligands and form polynuclear complexes. We assume the [ZnI2O2(2/2Gly)]0 infinite chains build the compound [Zn(gly)I2], for which we have found a narrow equilibrium crystallization field. We have failed to describe the crystal structure of this compound because of its limited stability in the air. Non-equilibrium crystallization of [Zn3(H2O)4(μ-gly)2I6] (triclinic system, P-1 space group) was demonstrated, with crystal structure built by trinuclear complexes [ZnI3O(1/2Gly)] [ZnO4(4H2O)O2(2/2Gly)(trans)][ZnI3O(1/2Gly)]. The FTIR and Raman spectra and also the thermal behaviour of the three compounds were discussed.

  17. Characteristics of [3H]sultopride binding to rat brain.

    PubMed

    Mizuchi, A; Kitagawa, N; Saruta, S; Miyachi, Y

    1982-10-15

    The binding of [3H]sultopride, a benzamide drug, to rat brain was investigated in vitro. Specific [3H]sultopride binding was observed in dopaminergic regions: striatum, nucleus accumbens, olfactory tubercle, substantia nigra, frontal cortex and anterior pituitary. Specific [3H]sultopride binding to striatum was saturable and had one high affinity binding site with a KD of 5.8 nM and a total density of receptors 25.7 pmol/g. [3H]Sultopride binding was stereoselectively displaced by (-)- and (+)-sultopride. Inhibition studies indicated that all neuroleptic drugs and dopamine were capable of displacing sultopride from its binding sites. A highly significant correlation was observed between IC50 values against [3H]sultopride and those against [3H]spiperone binding. Specific [3H]sultopride binding was highly dependent on the presence of sodium ions. The results suggest that the characteristics of sultopride binding sites seem to be similar to those of the D2-receptor labeled by spiperone and haloperidol. The sultopride binding site was highly dependent on the presence of sodium ions and may thus be characterized as a sodium-dependent D2-receptor.

  18. Fallout /sup 3/H ingestion in Akita, Japan

    SciTech Connect

    Hisamatsu, S.; Takizawa, Y.; Abe, T.; Katsumata, T.

    1987-09-01

    To study fallout /sup 3/H ingestion in Japan, 16 separate food group samples were collected from Akita during 1985. The /sup 3/H concentration in free water and that in a tissue-bound form were determined separately. The average /sup 3/H concentration in the tissue-bound form was 2.2 Bq L-1, 1.7 times higher than in the free water of the food. The ingestions of /sup 3/H in the tissue-bound form and as free water in the diet were 0.60 Bq d-1 and 1.0 Bq d-1, respectively. Cereals represented the food group that contributed the most to the ingestion of tissue-bound /sup 3/H. Total /sup 3/H ingestion was estimated to be 4.1 Bq d-1. The contribution of the tissue-bound form to the total ingestion was 15%, considerably lower than reported for Italian diets. The ratio of /sup 3/H ingestion in the tissue-bound form to the free water form in the diet was similar to the ratio reported for New York City.

  19. Characterization of [3H]palmitate- and [3H]ethanolamine-labelled proteins in the multicellular parasitic trematode Schistosoma mansoni.

    PubMed Central

    Wiest, P M; Tisdale, E J; Roberts, W L; Rosenberry, T L; Mahmoud, A A; Tartakoff, A M

    1988-01-01

    Biosynthetic labelling experiments with cercariae and schistosomula of the multicellular parasitic trematode Schistosoma mansoni were performed to determine whether [3H]palmitate or [3H]ethanolamine was incorporated into proteins. Parasites incorporated [3H]palmitate into numerous proteins, as judged by SDS/polyacrylamide-gel electrophoresis and fluorography. The radiolabel was resistant to extraction with chloroform, but sensitive to alkaline hydrolysis, indicating the presence of an ester bond. Further investigation of the major 22 kDa [3H]palmitate-labelled species showed that the label could be recovered in a Pronase fragment which bound detergent and had an apparent molecular mass of 1200 Da as determined by gel filtration on Sephadex LH-20. Schistosomula incubated with [3H]ethanolamine for up to 24 h incorporated this precursor into several proteins; labelled Pronase fragments recovered from the three most intensely labelled proteins were hydrophilic and had a molecular mass of approx. 200 Da. Furthermore, reductive methylation of such fragments showed that the [3H]ethanolamine bears a free amino group, indicating the lack of an amide linkage. We also evaluated the effect of phosphatidylinositol-specific phospholipase C from Staphylococcus aureus: [3H]palmitate-labelled proteins of schistosomula and surface-iodinated proteins were resistant to hydrolysis with this enzyme. In conclusion, [3H]palmitate and [3H]ethanolamine are incorporated into distinct proteins of cercariae and schistosomula which do not bear glycophospholipid anchors. The [3H]ethanolamine-labelled proteins represent a novel variety of protein modification. Images Fig. 1. Fig. 3. Fig. 5. PMID:3178767

  20. Influence of growth pressure on filling 4H-SiC trenches by CVD method

    NASA Astrophysics Data System (ADS)

    Ji, Shiyang; Kojima, Kazutoshi; Kosugi, Ryoji; Saito, Shingo; Sakuma, Yuuki; Tanaka, Yasunori; Yoshida, Sadafumi; Himi, Hiroaki; Okumura, Hajime

    2016-01-01

    To construct a superjunction structure consisting of p/n columns, narrow stripe-shaped trenches (∼1.5 µm wide and ∼4.7 µm deep) preformed on an n+ 4H-SiC substrate were filled by the hot-wall CVD method using a conventional gas reaction system, SiH4:C3H8:H2. The influences of growth pressure on the coverage distribution of epilayers and the corresponding filling efficiency (the thickness ratio of epilayers on trench bottom and mesa top) were investigated. Two benefits of increasing the growth pressure from 10 to 38 kPa were found: one is the reduced growth around the mesa surface, which lessens the risk of void formation; the other is a high filling rate as well as an improved filling efficiency up to ∼7. By supplying source gases at high flow rates, a void-free trench filling with a filling rate of ∼1.3 µm/h was successfully achieved at 38 kPa.

  1. Crossed-beam radical-radical reaction dynamics of O(3P)+C3H3-->H(2S)+C3H2O

    NASA Astrophysics Data System (ADS)

    Kwon, Lee-Kyoung; Nam, Mi-Ja; Youn, Sung-Eui; Joo, Sun-Kyu; Lee, Hohjai; Choi, Jong-Ho

    2006-05-01

    The radical-radical oxidation reaction, O(P3)+C3H3(propargyl)→H(S2)+C3H2O (propynal), was investigated using vacuum-ultraviolet laser-induced fluorescence spectroscopy in a crossed-beam configuration, together with ab initio and statistical calculations. The barrierless addition of O(P3) to C3H3 is calculated to form energy-rich addition complexes on the lowest doublet potential energy surface, which subsequently undergo direct decomposition steps leading to the major reaction products, H +C3H2O (propynal). According to the nascent H-atom Doppler-profile analysis, the average translational energy of the products and the fraction of the average transitional energy to the total available energy were determined to be 5.09±0.36kcal/mol and 0.077, respectively. On the basis of a comparison with statistical prior calculations, the reaction mechanism and the significant internal excitation of the polyatomic propynal product can be rationalized in terms of the formation of highly activated, short-lived addition-complex intermediates and the adiabaticity of the excess available energy along the reaction coordinate.

  2. An Observational Investigation of the Identity of B11244 (l-C3H+/C3H-)

    NASA Astrophysics Data System (ADS)

    McGuire, Brett A.; Carroll, P. Brandon; Gratier, Pierre; Guzmán, Viviana; Pety, Jerome; Roueff, Evelyne; Gerin, Maryvonne; Blake, Geoffrey A.; Remijan, Anthony J.

    2014-03-01

    Pety et al. have reported the detection of eight transitions of a closed-shell, linear molecule (B11244) in observations toward the Horsehead photodissociation region (PDR), which they attribute to the l-C3H+ cation. Recent high-level ab initio calculations have called this assignment into question; the anionic C3H- molecule has been suggested as a more likely candidate. Here, we examine observations of the Horsehead PDR, Sgr B2(N), TMC-1, and IRC+10216 in the context of both l-C3H+ and C3H-. We find no observational evidence of Ka = 1 lines, which should be present were the carrier indeed C3H-. Additionally, we find a strong anticorrelation between the presence of known molecular anions and B11244 in these regions. Finally, we discuss the formation and destruction chemistry of C3H- in the context of the physical conditions in the regions. Based on these results, we conclude there is little evidence to support the claim that the carrier is C3H-.

  3. (/sup 3/H) clonidine binding to rat hippocampal membranes

    SciTech Connect

    George, C.R.

    1982-02-01

    Alpha adrenergic receptor subtypes in rat hippocampal membranes were studied, using (/sup 3/H) clonidine as the radioactive ligand. On the basis of competitive binding studies, using the selective antagonist-prazosin, WB-4101, and yohimbine, (/sup 3/H) clonidine appeared to bind to a population of presynaptic sites that are pharmacologically similar to receptors previously classified as alpha 2. A computerized model that linearized and produced the best possible fit to the experimental data points indicated that (/sup 3/H) clonidine binds to a single population of receptors possessing equal affinity for the ligand. Binding data also indicated that rat hippo-campus contains significantly fewer (/sup 3/H)clonidine binding sites than rat cortex.

  4. Autoradiographic localization of (3H) gepirone in the rat brain

    SciTech Connect

    Bennett, J.E.; Matheson, G.K. )

    1990-02-26

    Gepirone is an anxiolytic compound active at the 5-HT{sub 1A} receptor site. The purpose of this study was to locate the ({sup 3}H)gepirone in the rat brain and to determine the quantity of gepirone in these locations. Male Sprague-Dawley rats were injected with (3H)gepirone (200 {mu}Ci/kg, i.v.) and decapitated 10 minutes later. To determine specific binding some animals were pretreated with cold gepirone (1 mg/kg) 15 minutes before the (3H)gepirone treatment. The brains were removed, frozen, sectioned, and fixed in formaldehyde vapors. Tritium sensitive film was exposed to the sections for 106 days. Using computerized imaging technology data were obtained from 104 brain sites. Overall, the quantity of (3H)gepirone in each site correlated proportionally with known 5-HT{sub 1A} (in vitro) receptor binding.

  5. Fallout sup 3 H in human tissue at Akita, Japan

    SciTech Connect

    Hisamatsu, S.; Takizawa, Y.; Itoh, M.; Ueno, K.; Katsumata, T.; Sakanoue, M. )

    1989-10-01

    The {sup 3}H concentration in Japanese human tissue samples is reported in this paper. Four brain, 10 liver, and nine lung samples from 11 cases were collected from Akita Prefecture in northern Japan from January to July 1986. The median of free-water {sup 3}H concentration was similar in these tissues and agreed well with the concentrations in the diet, including tap water. The median specific activity ratio of tissue-bound {sup 3}H to free-water {sup 3}H was 1.1 and was slightly lower than that in the diet. The specific activity ratio was also lower than that reported in the United States and significantly lower than in Italy.

  6. Photochemical Modeling of the Distribution of C3H8 in the Atmosphere of Saturn

    NASA Astrophysics Data System (ADS)

    Edgington, S. G.; Simon-Miller, A.; Jennings, D.; Bjoraker, G.; Romani, P.; Achterberg, R.; Orton, G.; Flasar, M.; Cassini CIRS Team

    2005-08-01

    Cassini's Composite Infrared Spectrometer (CIRS) has measured the abundance of C2H2 and C3H8 (Propane) at several latitudes in the Southern hemisphere. An increase of radiance with latitude towards the pole has been observed, possibly implying a corresponding increase of C3H8. In an effort explain the observed distribution of both species, it is important to model the creation, destruction, and transport of these chemical species. Furthermore, since both molecules have overlapping absorption features in the same spectral region near 748 cm-1, such modeling will aid in refining derived abundances and separating temperature effects. The photochemistry model used in Edgington et al. (1998, 1999, 2000) to model simultaneously hydrocarbons, ammonia, and phosphine is updated and expanded to include paths relevant to the creation of C3H8. Destruction occurs through photolysis, while transport would tend to spread C3H8 from its source regions. With a series of exercises in 1- and 2- dimensions, we explore the extent to which photolysis, vertical, and/or meridional transport impacts the distribution of C2H2 and C3H8 with latitude. Thermal profiles derived from CIRS observations versus latitude are used as they have an impact on numerous reaction rates. We then compare these results with abundances derived from observations taken with the CIRS instrument. Edgington, S.G., West, R.A., Friedson, A.J., Atreya, S.K., 2000. A 2-D photochemical model with meridional circulation. Bull. American. Astron. Soc., 32, 1013. Edgington, S.G., S.K. Atreya, L.M. Trafton, J.J. Caldwell, R.F. Beebe, A.A. Simon, and R.A. West, 1999. Ammonia and eddy mixing variations in the southern hemisphere of Jupiter from HST Faint Object Spectrograph Observations. Icarus, 142, 342-357. Edgington, S.G., S.K. Atreya, L.M. Trafton, J.J. Caldwell, R.F. Beebe, A.A. Simon, R.A. West, and C. Barnet, 1998. On the latitude variation of ammonia, acetylene, and phosphine altitude profiles on Jupiter from HST Faint

  7. (/sup 3/H)-beta-endorphin binding in rat brain

    SciTech Connect

    Houghten, R.A.; Johnson, N.; Pasternak, G.W.

    1984-10-01

    The binding of (/sup 3/H)-beta-endorphin to rat brain homogenates is complex. Although Scatchard analysis of saturation studies yields a straight line, detailed competition studies are multiphasic, suggesting that even at low concentrations of the compound, the /sup 3/H-ligand is binding to more than one class of site. A portion of (/sup 3/H)-beta-endorphin binding is sensitive to low concentrations of morphine or D-Ala2-Leu5-enkephalin (less than 5 nM). The inhibition observed with each compound alone (5 nM) is the same as that seen with both together (each at 5 nM). Thus, the binding remaining in the presence of both morphine and the enkephalin does not correspond to either mu or delta sites. The portion of (/sup 3/H)-beta-endorphin binding that is inhibited under these conditions appears to be equally sensitive to both morphine and the enkephalin and may correspond to mu1 sites. Treating membrane homogenates with naloxonazine, a mu1 selective antagonist, lowers (/sup 3/H)-beta-endorphin binding to the same degree as morphine and D-Ala2-Leu5-enkephalin alone or together. This possible binding of (/sup 3/H)-beta-endorphin to mu1 sites is consistent with the role of mu1 sites in beta-endorphin analgesia and catalepsy in vivo.

  8. Binding of [3H]palmitate to BSA.

    PubMed

    Elmadhoun, B M; Wang, G Q; Templeton, J F; Burczynski, F J

    1998-10-01

    Determination of the BSA-palmitate high-affinity binding constant (Ka) traditionally relied on the heptane-water partitioning technique. We used this technique to calculate Ka for the BSA-[3H]palmitate complex, to determine if Ka was independent of protein concentration, and to determine if the unbound [3H]palmitate concentration is constant at different BSA concentrations using constant BSA-to-palmitate molar ratios (range 1:1 to 1:4). After extensive extraction of non-[3H]palmitate radiolabeled substances, the heptane-to-buffer partition ratio, in the absence of BSA, was 702 +/- 19 (mean +/- SD, n = 6). This value was much lower than the predicted value of 1,376 and was highly dependent on which phase (organic or aqueous) initially contained the [3H]palmitic acid. The data were consistent with the notion of self-association of [3H]palmitate in the aqueous phase. Ka for the BSA-[3H]palmitate complex was determined to be similar (2.2 +/- 0.1) x 10(8) M-1 (mean +/- SD, P > 0.05) at all BSA concentrations studied. At each BSA-to-palmitate molar ratio, the equilibrium unbound ligand concentration was constant only at low BSA concentrations (<10 microM) and at low BSA-to-palmitate molar ratios (i.e., 1:1 and 1:2). At higher BSA concentrations and molar ratios, the unbound ligand concentration increased with an increase in protein concentration. Hepatocyte uptake using the manufacturer-supplied radiolabeled product was significantly higher than with the purified product, suggesting that a non-[3H]palmitate radiolabel is also a substrate for the uptake process.

  9. Thermal Decomposition of 2(3H) and 2(5H) Furanones: Theoretical Aspects.

    PubMed

    Würmel, Judith; Simmie, John M; Losty, Michelle M; McKenna, Cathal D

    2015-07-01

    The thermal decomposition reactions of 2(3H) and 2(5H) furanones and their methyl derivatives are explored. Theoretical calculations of the barriers, reaction enthalpies, and the properties of these and intermediate species are reported using the composite model chemistry CBS-QB3 and also the functional M06-2X allied to the 6-311++G(d,p) basis set. Thus, the bond dissociation enthalpies, ionization energies, and unimolecular chemical kinetic rate constants in the high-pressure limit were computed. We show that flow reactor experiments that intimated that heating the 2(3H) furanone converts it to the isomeric 2(5H) furanone occurs via a 1 → 2 H-transfer reaction to an open ring ketenoic aldehyde. The latter can then ring close to the other isomeric structure. The final products acrolein and carbon monoxide are only formed from 2(3H), and acrolein will further decompose to ethylene and CO. Comparable channels explain the interconversion of 5-methyl-2(3H) furanone to its 2(5H) isomer and to the formation of methyl vinyl ketone and CO. The influence of the methyl group at other positions on the ring is hardly of significance except in the case of 5-methyl-2(5H) furanone where a hydrogen atom transfer from the methyl group leads to the formation of a doubly unsaturated carboxylic compound, 2,4-pentadienoic acid. Studies of the UV photolysis of the parent compounds in both low-temperature inert argon matrices and in solution are broadly in accord with the thermal findings insofar as product formation is concerned and with our theoretical calculations. The dominant features of the early decomposition chemistry of these compounds are simple hydrogen transfer and simultaneous ring opening reactions, which do however result in some quite unusual species.

  10. Expression analysis of kenaf cinnamate 4-hydroxylase (C4H) ortholog during developmental and stress responses

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study was conducted to clone and analyze the expression pattern of a C4H gene encoding cinnamate 4-hydroxylase from kenaf (Hibiscus cannabinus L.). A full-length C4H ortholog was cloned using degenerate primers and the RACE (rapid amplification of cDNA ends) method. The full-length C4H ortholog...

  11. Stewardship as a Means to Create Organizational Reform: A View into Minnesota 4-H Youth Development

    ERIC Educational Resources Information Center

    Skuza, Jennifer A.; Freeman, Dorothy M.; Bremseth, Tamara J.; Doering, Shirley A.; Quinlan, Robert B.; Morreim, Patricia A.; Deidrick, James C.

    2010-01-01

    Minnesota 4-H Youth Development (MN 4-H) used stewardship as a means to create organizational reform to address the public use of the 4-H name and emblem in terms of risk management, real estate and equipment, and finances. A task force implemented a participatory process with colleagues and stakeholders to build and implement the reform effort.…

  12. Relationship between Participation in 4-H and Community Leadership in Rural Montana

    ERIC Educational Resources Information Center

    Flynn, Allison; Frick, Martin; Steele, Douglas

    2010-01-01

    Studies on the impact of 4-H on former members generally use alumni as one cohort. In rural states, such as Montana, it is important to understand the impact of 4-H on alumni in these rural areas and the role 4-H plays in community involvement. The study reported here sought to determine the perception of current community leaders in rural Montana…

  13. Perceptions of Missouri 4-H Youth Development Personnel Regarding Interorganizational Cooperative Behavior

    ERIC Educational Resources Information Center

    McKim, Billy R.; Torres, Robert M.

    2011-01-01

    Perceptions of 4-H youth development personnel regarding interorganizational cooperation were studied between the perceived and desired levels of cooperative activities between 4-H youth development personnel and secondary agriculture teachers. Results indicated that 4-H youth development personnel wanted higher levels of coordinated efforts…

  14. Perceptions of Texas 4-H Livestock Ambassadors on Career Development, Higher Education, and Leadership Development

    ERIC Educational Resources Information Center

    Zanolini, William F.; Rayfield, John; Ripley, Jeff

    2013-01-01

    Selected 4-H youth participated in the Texas 4-H Livestock Ambassador program. Forty-five youth participated in the 3-day program delivered by university professors and staff, Texas AgriLife Extension faculty and industry representatives. An instrument was developed and administered to the Texas 4-H Livestock Ambassadors at the end of their first…

  15. Understanding the Knowledge and Use of Experiential Learning within Pennsylvania 4-H Clubs

    ERIC Educational Resources Information Center

    Bechtel, Robyn; Ewing, John C.; Threeton, Mark; Mincemoyer, Claudia

    2013-01-01

    Experiential learning is incorporated into the National 4-H curriculum. However, the state 4-H staff in Pennsylvania is unsure of the current knowledge and use of experiential learning within the local 4-H clubs. An online survey was distributed to Extension educators and volunteer leaders within Pennsylvania to assess the current knowledge and…

  16. Text to Speech: A 4-H Model of Accessibility and Inclusion

    ERIC Educational Resources Information Center

    Green, Jeremy W.

    2012-01-01

    4-H project manuals play an integral part in a youth's ability to achieve mastery in a specific project area. For youth who struggle with reading, written 4-H materials prove inadequate in addressing the needs of the learner. This article proposes a new delivery method of 4-H educational material designed to create a more inclusive and…

  17. Examination of Attitude and Interest Measures for 4-H Science Evaluation

    ERIC Educational Resources Information Center

    Lewis, Kendra M.; Worker, Steven M.

    2015-01-01

    Science education research has demonstrated the influence of affect on learning. The National 4-H Science Logic Model outlines outcomes from youth participation in 4-H science programs, which includes attitude and interest outcomes. The associated measure, the National 4-H Science Common Measure, assesses these attitude constructs and not other…

  18. SPATIALLY RESOLVED l-C{sub 3}H{sup +} EMISSION IN THE HORSEHEAD PHOTODISSOCIATION REGION: FURTHER EVIDENCE FOR A TOP-DOWN HYDROCARBON CHEMISTRY

    SciTech Connect

    Guzmán, V. V.; Öberg, K. I.; Pety, J.; Goicoechea, J. R.; Gerin, M.; Roueff, E.; Gratier, P.

    2015-02-20

    Small hydrocarbons, such as C{sub 2}H, C{sub 3}H, and C{sub 3}H{sub 2} are more abundant in photo-dissociation regions (PDRs) than expected based on gas-phase chemical models. To explore the hydrocarbon chemistry further, we observed a key intermediate species, the hydrocarbon ion l-C{sub 3}H{sup +}, in the Horsehead PDR with the Plateau de Bure Interferometer at high-angular resolution (6″). We compare with previous observations of C{sub 2}H and c-C{sub 3}H{sub 2} at similar angular resolution and new gas-phase chemical model predictions to constrain the dominant formation mechanisms of small hydrocarbons in low-UV flux PDRs. We find that at the peak of the HCO emission (PDR position), the measured l-C{sub 3}H{sup +}, C{sub 2}H, and c-C{sub 3}H{sub 2} abundances are consistent with current gas-phase model predictions. However, in the first PDR layers, at the 7.7 μm polycyclic aromatic hydrocarbon band emission peak, which are more exposed to the radiation field and where the density is lower, the C{sub 2}H and c-C{sub 3}H{sub 2} abundances are underestimated by an order of magnitude. At this position, the l-C{sub 3}H{sup +} abundance is also underpredicted by the model but only by a factor of a few. In addition, contrary to the model predictions, l-C{sub 3}H{sup +} peaks further out in the PDR than the other hydrocarbons, C{sub 2}H and c-C{sub 3}H{sub 2}. This cannot be explained by an excitation effect. Current gas-phase photochemical models thus cannot explain the observed abundances of hydrocarbons, in particular, in the first PDR layers. Our observations are consistent with a top-down hydrocarbon chemistry, in which large polyatomic molecules or small carbonaceous grains are photo-destroyed into smaller hydrocarbon molecules/precursors.

  19. Water-Isotopes (2H, 3H, 18O) to trace the source and timing of recharge in a fractured granite aquifer in Western Kenya, Africa

    NASA Astrophysics Data System (ADS)

    Kralik, Martin; Whylidal, Stefan; Asunah, Francis; Sültenfuß, Jürgen

    2014-05-01

    The Vihiga District in West Kenya North-West of Lake Victoria is one of the most densely populated areas in Kenya with 1033 person per square kilometer. To find the most suitable location of an own well for a Primary School in this district, springs, school wells and creeks were sampled in the surroundings to get information about the hydrological cycle in the area. The Waluka Primary school (0.02134°N, 34.64311°E) is situated on the northern slope of the Maragoli Hills 20 km to the North-West of the Nyanzan provincial capital of Kisumu at the eastern shore of Lake Victoria. The hilly relief varies between 1535 - 1675m. The yearly precipitation is between 1200-1600 mm/a (23°C mean temperature) with biannual rainy seasons in which the long rains are generally from March to May as the Inter-Tropical Convergence Zone (ITCZ) moves northwards, and the short rains are typically from October to December as the ITCZ retreats southwards. A lateritic soil covers a thin alteration zone above the Precambrian Maragoli-Granite (Saggerson, 1952). Water circulates either in the thin alteration zone or in fault zones cutting through the Precambrian granite. From discharge measurements of two springs and a creek at the end of the dry season (February 2012) a minimum discharge of ca. 10-20 L/s km2 (300-600 mm) can be estimated. The water is of the alkaline sulfate-nitrate type with low mineralization (70-150 μ S/cm, 25°C) and a low pH of about 5 to 6. The delta oxygen-18 and deuterium value ranges between -2.84 to -1.98 oand -8.5 to - 3.9 o(VSMOW). The deuterium excess ranges from 11.7-14.2 oThe water of one spring and well close to the school have a tritium content of 1.42 - 1.62 TU. All groundwater has a low arsenium, fluorine and uranium content, which had only a short soil passage. The relatively elevated, but not problematic content in nitrate (10 - 16 mg/L) probaly reflects the intensive agricultural activities in this area. As the mean δ 18O values during the rainy seasons are significantly lower (-3 to -4 o) than in the mean precipitation during the rest of the year (-2.5 to -1.9 o; Mwango, 2003) one can conclude that the main spring 'Anzaya' and the well in the Naboka Secondary School are recharged from deeper faults with water supplied more during the rainy season. The slightly higher d-excess of 13.4-14.2 ocompared to 11.7-12.6 oin the rest of the samples, indicates a somewhat higher recharge area of this two sites with water vapor recycled in the precipitation around the Liailhunuu peak (ca. 1675m). This effect is also supported by spring-water measurements at the Kilimanjaro (d-excess 13.4-6.6 o) 400 km SE. Similarily, the tritium content of 1.42 - 1.62 TU indicate that compared to a mean tritium content of 2 TU in the rain of this area (Mwango, 2003) the mean residence time can be in the range of recent to few years only.

  20. Structure–function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2

    PubMed Central

    Chen, Shoudeng; Rufiange, Anne; Huang, Hongda; Rajashankar, Kanagalaghatta R.; Nourani, Amine; Patel, Dinshaw J.

    2015-01-01

    Cells use specific mechanisms such as histone chaperones to abrogate the inherent barrier that the nucleosome poses to transcribing polymerases. The current model postulates that nucleosomes can be transiently disrupted to accommodate passage of RNA polymerases and that histones H3 and H4 possess their own chaperones dedicated to the recovery of nucleosomes. Here, we determined the crystal structure of the conserved C terminus of human Suppressors of Ty insertions 2 (hSpt2C) chaperone bound to an H3/H4 tetramer. The structural studies demonstrate that hSpt2C is bound to the periphery of the H3/H4 tetramer, mimicking the trajectory of nucleosomal-bound DNA. These structural studies have been complemented with in vitro binding and in vivo functional studies on mutants that disrupt key intermolecular contacts involving two acidic patches and hydrophobic residues on Spt2C. We show that contacts between both human and yeast Spt2C with the H3/H4 tetramer are required for the suppression of H3/H4 exchange as measured by H3K56ac and new H3 deposition. These interactions are also crucial for the inhibition of spurious transcription from within coding regions. Together, our data indicate that Spt2 interacts with the periphery of the H3/H4 tetramer and promotes its recycling in the wake of RNA polymerase. PMID:26109053

  1. Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2.

    PubMed

    Chen, Shoudeng; Rufiange, Anne; Huang, Hongda; Rajashankar, Kanagalaghatta R; Nourani, Amine; Patel, Dinshaw J

    2015-06-15

    Cells use specific mechanisms such as histone chaperones to abrogate the inherent barrier that the nucleosome poses to transcribing polymerases. The current model postulates that nucleosomes can be transiently disrupted to accommodate passage of RNA polymerases and that histones H3 and H4 possess their own chaperones dedicated to the recovery of nucleosomes. Here, we determined the crystal structure of the conserved C terminus of human Suppressors of Ty insertions 2 (hSpt2C) chaperone bound to an H3/H4 tetramer. The structural studies demonstrate that hSpt2C is bound to the periphery of the H3/H4 tetramer, mimicking the trajectory of nucleosomal-bound DNA. These structural studies have been complemented with in vitro binding and in vivo functional studies on mutants that disrupt key intermolecular contacts involving two acidic patches and hydrophobic residues on Spt2C. We show that contacts between both human and yeast Spt2C with the H3/H4 tetramer are required for the suppression of H3/H4 exchange as measured by H3K56ac and new H3 deposition. These interactions are also crucial for the inhibition of spurious transcription from within coding regions. Together, our data indicate that Spt2 interacts with the periphery of the H3/H4 tetramer and promotes its recycling in the wake of RNA polymerase.

  2. a Computational Investigation of c-C3H2...HX(X = F, Cl, Br) H-Bonded Complexes

    NASA Astrophysics Data System (ADS)

    Varadwaj, Pradeep R.; Varadwaj, Arpita; Peslherbe, Gilles H.

    2011-06-01

    Cyclopropenylidene (c-C3H2) is of significant importance in interstellar chemistry and synthetic chemistry (e.g., transition metal and organic catalysis). Because of its peculiar structure, c-C3H2 can act as a hydrogen-bond donor or acceptor. In order to gain insight into this feature, the ground-state potential energy surfaces of singlet c-C3H2 complexed with hydrogen halides HX (X = F, Cl, Br) have been explored extensively by density-functional theory (B3LYP) and {ab initio} quantum chemistry (MP2) with a variety of basis sets, cc-pVxZ and aug-cc-pVxZ (x = D, T). The complexes characterized have the carbenic end of c-C3H2 H-bonded to HX, with some proton transfer occurring, the extent of which follows the order HF < HCl < HBr. Accompanying the complex formation are the dipole moment enhancement, the charge transfer, red shifts of the HX vibrational stretching frequencies together with the significant enhancement of band intensity and concomitant HX bond elongation. The nature of H-bonding in these complexes has been explored, based on energy decomposition schemes and the Bader's quantum theory of atoms-in-molecules, with the conclusion that c-C3H2 is a strong H-bond acceptor with respect to the hydrogen halides.

  3. R-matrix description of particle energy spectra produced by low-energy 3H + 3H reactions

    DOE PAGES

    Brune, C. R.; Caggiano, J. A.; Sayre, D. B.; Bacher, A. D.; Hale, G. M.; Paris, M. W.

    2015-07-20

    An R-matrix model for three-body final states is presented and applied to a recent measurement of the neutron energy spectrum from the 3H + 3H→ 2n + α reaction. The calculation includes the n alpha and n n interactions in the final state, angular momentum conservation, antisymmetrization, and the interference between different channels. A good fit to the measured spectrum is obtained, where clear evidence for the 5He ground state is observed. The model is also used to predict the alpha-particle spectrum from 3H + 3H as well as particle spectra from 3He + 3He. The R-matrix approach presented heremore » is very general, and can be adapted to a wide variety of problems with three-body final states.« less

  4. Thermal Dehydrogenation of Base-Stabilized B2H5(+) Complexes and Its Role in C-H Borylation.

    PubMed

    Prokofjevs, Aleksandrs

    2015-11-01

    Thermally induced dehydrogenation of the H-bridged cation L2B2H5(+) (L=Lewis base) is proposed to be the key step in the intramolecular C-H borylation of tertiary amine boranes activated with catalytic amounts of strong "hydridophiles". Loss of H2 from L2B2H5(+) generates the highly reactive cation L2B2H3(+), which in its sp(2)-sp(3) diborane(4) form then undergoes either an intramolecular C-H insertion with B-B bond cleavage, or captures BH3 to produce L2B3H6(+). The effect of the counterion stability on the outcome of the reaction is illustrated by formation of LBH2C6F5 complexes through disproportionation of L2B2H5(+) HB(C6F5)3(-) . PMID:26377358

  5. (/sup 3/H)glucosamine and (/sup 3/H)proline radioautography of embryonic mouse dental basement membrane

    SciTech Connect

    Osman, M.; Ruch, J.V.

    1981-01-01

    (/sup 3/H)proline and (/sup 3/H)glucosamine radioautography was performed to analyze the labeling pattern of mouse embryonic dental basement membrane before and during odontoblast terminal differentiation. Sixteen- and eighteen-day-old first lower molars and trypsin-isolated enamel organs, as well as EDTA-isolated dental papillae, were used. Continuous labeling for 12 to 24 hr was required with (/sup 3/H)proline to obtain a clear labeling of epithelial-mesenchymal junction in intact tooth germs or accumulation of surface label in trypsin-isolated enamel organs. With (/sup 3/H)glucosamine, after 6-hr labeling, the epithelial-mesenchymal junction was heavily labeled and the trypsin-isolated enamel organs accumulated substantial amounts of surface label, corresponding to the redeposited basement membrane. At Day 16 stage, these labels always had a uniform distribution and decreased during chase without any redistribution. At Day 18 stage, when the terminal differentiation of odontoblasts occurred the label accumulated in a unique pattern: much more label was at the epithelial surface corresponding to the top of the cusps than in the apical parts. During chase and only in intact tooth germs epithelial surfaces which had labeled poorly during pulse became labeled, but those labeling heavily during pulse lost label. This pattern existed only in the presence of mesenchyme. EDTA treatment of (/sup 3/H)glucosamine-labeled teeth enabled us to obtain isolated dental papillae with surface label. Distribution of this label was exactly the same as that for the epithelial-mesenchymal junction of intact teeth. During chase, these dental papillae completely lost the surface label. The mesenchyme seen to control the synthesis and/or the degradation of epithelially derived (/sup 3/H)glucosamine-labeled material.

  6. Specific [(3)H]tryptophan binding sites in rat brain.

    PubMed

    Wong, P T; Lee, H S; Tan, C H; Teo, W L

    1989-01-01

    [(3)H]Tryptophan binds to a single population of sites in the rat cortical synaptosomal membranes. The binding is reversible and follows the law of mass action. By saturation studies using increasing concentration of [(3)H]tryptophan with decreasing specific radioactivity, the apparent K(d) obtained was approx. 0.8 ?M and the B(max) 110 pmol/mg protein. However, the IC(50) obtained for unlabelled tryptophan in displacing [(3)H]tryptophan binding (3.5 nM) was 0.26 ?M. All six naturally occurring aromatic amino acids studied displaced [(3)H]tryptophan binding with tryptophan and phenylalanine showing higher apparent affinity than histidine, tyrosine, dihydroxyphenylalanine and 5-hydroxytryptophan. These binding sites are proteins in nature as they are sensitive to trypsin and ?-chymotrypsin. It is observed that about 37% of the sites seem to be protected from the proteolytic enzymes by the membrane structure. Furthermore, they are extremely sensitive to phospholipase A(2) presumably because altered membrane phospholipids conduce a conformational change in the binding protein. A considerable degree of stereospecificity was demonstrated with the affinity for l-tryptophan about 90 times higher than that for d-tryptophan. The affinity for l-phenylalanine was 8 times higher than that for d-phenylalanine. Ligand specificity for the aromatic amino acids is remarkable as hydrocinnamic acid, 2-phenylethylamine, 5-hydroxytryptamine, histamine, dopamine, ?-aminobutyric acid, glutamic acid and taurine did not displace [(3)H]tryptophan binding. Therefore, these sites are termed aromatic amino acid binding sites (AABS). Whether or not AABS are involved in neuromodulation at the synapse awaits clarification. If so, the endogenous ligand for the AABS may well be tryptophan.

  7. Measurements of excess O3, CO2, CH4, C2H4, C2H2, HCN, NO, NH3, HCOOH, CH3COOH, HCHO, and CH3H in 1997 Alaskan biomass burning plumes by airborne Fourier transform infrared spectroscopy (AFTIR) [O3 CO2 CH4 C2H4 C2H2 NH3 CH3COOH CH3H

    NASA Astrophysics Data System (ADS)

    Goode, Jon G.; Yokelson, Robert J.; Ward, Darold E.; Susott, Ronald A.; Babbitt, Ronald E.; Davies, Mary Ann; Hao, Wei Min

    2000-09-01

    We used an airborne Fourier transform infrared spectrometer (AFTIR), coupled to a flow-through, air-sampling cell, on a King Air B-90 to make in situ trace gas measurements in isolated smoke plumes from four, large, boreal zone wildfires in interior Alaska during June 1997. AFTIR spectra acquired near the source of the smoke plumes yielded excess mixing ratios for 13 of the most common trace gases: water, carbon dioxide, carbon monoxide, methane, nitric oxide, formaldehyde, acetic acid, formic acid, methanol, ethylene, acetylene, ammonia and hydrogen cyanide. Emission ratios to carbon monoxide for formaldehyde, acetic acid, and methanol were 2.2±0.4%, 1.3±0.4%, and 1.4±0.1%, respectively. For each oxygenated organic compound, a single linear equation fits our emission factors from Alaska, North Carolina, and laboratory fires as a function of modified combustion efficiency (MCE). A linear equation for predicting the NH3/NOx emission ratio as a function of MCE fits our Alaskan AFTIR results and those from many other studies. AFTIR spectra collected in downwind smoke that had aged 2.2±1 hours in the upper, early plume yielded ΔO3/ΔCO ratios of 7.9±2.4% resulting from O3 production rates of ˜50 ppbv h-1. The ΔNH3/ΔCO ratio in another plume decreased to 1/e of its initial value in ˜2.5 hours. A set of average emission ratios and emission factors for fires in Alaskan boreal forests is derived. We estimate that the 1997 Alaskan fires emitted 46±11 Tg of CO2.

  8. Arabidopsis C3H14 and C3H15 have overlapping roles in the regulation of secondary wall thickening and anther development.

    PubMed

    Chai, Guohua; Kong, Yingzhen; Zhu, Ming; Yu, Li; Qi, Guang; Tang, Xianfeng; Wang, Zengguang; Cao, Yingping; Yu, Changjiang; Zhou, Gongke

    2015-05-01

    Plant tandem CCCH zinc finger (TZF) proteins play diverse roles in developmental and adaptive processes. Arabidopsis C3H14 has been shown to act as a potential regulator of secondary wall biosynthesis. However, there is lack of direct evidence to support its functions in Arabidopsis. It is demonstrated here that C3H14 and its homologue C3H15 redundantly regulate secondary wall formation and that they additionally function in anther development. Plants with double, but not single, T-DNA mutants for C3H14 or C3H15 have few pollen grains and thinner stem secondary walls than the wild type. Plants homozygous for c3h14 and heterozygous for c3h15 [c3h14 c3h15(±)] have slightly thinner secondary walls than plants heterozygous for c3h14 and homozygous for c3h15 [c3h14(±) c3h15], and c3h14(±) c3h15 have lower fertility. Overexpression of C3H14 or C3H15 led to increased secondary wall thickness in stems and the ectopic deposition of secondary walls in various tissues, but did not affect anther morphology. Transcript profiles from the C3H14/15 overexpression and c3h14 c3h15 plants revealed marked changes in the expression of many genes associated with cell wall metabolism and pollen formation. Subcellular localization and biochemical analyses suggest that C3H14/15 might function at both the transcriptional and post-transcriptional levels.

  9. H3++H2 isotopic system at low temperatures: Microcanonical model and experimental study

    NASA Astrophysics Data System (ADS)

    Hugo, Edouard; Asvany, Oskar; Schlemmer, Stephan

    2009-04-01

    State-to-state thermal rate coefficients for reactions of all H3++H2 isotopic variants are derived and compared to new experimental data. The theoretical data are also sought for astrochemical modeling of cold environments (<50K). The rates are calculated on the basis of a microcanonical approach using the Langevin model and the conservation laws of mass, energy, angular momentum, and nuclear spin. Full scrambling of all five nuclei during the collision is assumed for the calculations and alternatively partial dynamical restrictions are considered. The ergodic principle of the collision is employed in two limiting cases, neglecting (weak ergodic limit) or accounting for explicit degeneracies of the reaction mechanisms (strong ergodic limit). The resulting sets of rate coefficients are shown to be consistent with the detailed balance and thermodynamical equilibrium constants. Rate coefficients, k(T ), for the deuteration chain of H3+ with HD as well as H2D+/H3+ equilibrium ratios have been measured in a variable temperature 22-pole ion trap. In particular, the D2H++HD→D3++H2 rate coefficient indicates a change in reaction mechanism when going to higher temperatures. The good overall agreement between experiment and theory encourages the use of the theoretical predictions for astrophysical modeling.

  10. Rate Coefficients of C2H with C2H4, C2H6, and H2 from 150 to 359 K

    NASA Technical Reports Server (NTRS)

    Opansky, Brian J.; Leone, Stephen R.

    1996-01-01

    Rate coefficients for the reactions C2H with C2H4, C2H6, and H2 are measured over the temperature range 150-359 K using transient infrared laser absorption spectroscopy. The ethynyl radical is formed by photolysis of C2H2 with a pulsed excimer laser at 193 nm, and its transient absorption is monitored with a color center laser on the Q(sub 11)(9) line of the A(sup 2) Pi-Chi(sup 2) Sigma transition at 3593.68 cm(exp -1). Over the experimental temperature range 150-359 K the rate constants of C2H with C2H4, C2H6, and H2 can be fitted to the Arrhenius expressions k(sub C2H4) = (7.8 +/- 0.6) x 10(exp -11) exp[(134 +/- 44)/T], k(sub C2H6) = (3.5 +/- 0.3) x 10(exp -11) exp[(2.9 +/- 16)/T], and k(sub H2) = (1.2 +/- 0.3) x 10(exp -11) exp[(-998 +/- 57)]/T cm(exp 3) molecule(exp -1) sec(exp -1). The data for C2H with C2H4 and C2H6 indicate a negligible activation energy to product formation shown by the mild negative temperature dependence of both reactions. When the H2 data are plotted together with the most recent high-temperature results from 295 to 854 K, a slight curvature is observed. The H2 data can be fit to the non-Arrhenius form k(sub H2) = 9.2 x 10(exp -18) T(sup 2.17 +/- 0.50) exp[(-478 +/- 165)/T] cm(exp 3) molecules(exp -1) sec(exp -1). The curvature in the Arrhenius plot is discussed in terms of both quantum mechanical tunneling of the H atom from H2 to the C2H radical and bending mode contributions to the partition function.

  11. Laeve-[1-3H]Methadone disposition in tolerant dogs.

    PubMed

    Misra, A L; Bloch, R; Vadlamani, N L; Mulé, S J

    1975-04-01

    1. Following a subcutaneous dose (4mg/kg) of [3H]methadone, peak levels of drug occurred in plasma, tissues and selected areas of the central nervous system (CNS) 2h after injection in both non-tolerant and tolerant dogs. Highest concentrations of methadone were attained in bile and lung compared to other tissues. 2. Levels of methadone in plasma, tissue and CNS of tolerant and non-tolerant animals were not markedly different up to 8h after injection, but a much faster rate of egression of free drug (lower t1/2) was observed subsequently in tolerant dogs. 3. Peak levels of methadone in various areas of the CNS ranged between 2-7 (spinal cord) to 3-6 (thalamus) mug/g in non-tolerant and 3-0 -rebellum) to 4-1 (thalamus) mug/g in tolerant dogs 2h after injection. No marked accumulation of methadone occurred in selected areas of the CNS in spite of the persistence of drug in these areas. 4. The plasma protein electrophoretic profiles did not differ between control, non-tolerant and tolerant dogs. 5. Similar qualitative patterns of metabolites were observed in non-tolerant and tolerant dogs and the development of tolerance did not appear to modify the metabolic pathways of methadone. PMID:1154803

  12. Autoradiographic 3H-Gaboxadol Receptor Binding Protocol

    PubMed Central

    Ling, Lynne; Caspary, Donald

    2016-01-01

    Gaboxadol (4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol, THIP), a GABAA receptor δ-subunit specific agonist, when present at low (μM) concentrations, preferentially binds and activates extrasynaptic (non-γ2, δ-subunit-containing) GABAARs (Storustovu and Ebert, 2006; Richardson et al., 2011, 2013). In this prototype saturation binding experiment, a series of concentrations of [3H]gaboxadol (5, 10, 25, 50, 75, 100, 250 and 400 nM) will be used. GABA at 200 μM will be added into binding mixtures as a cold displacer for [3H]gaboxadol. Slide mailers are used and each requires 7 ml binding mixture. Pre-, post-washing and binding buffer is 50 mM Tris-Citrate (pH 7.1). The detailed procedure is outlined below.

  13. Complex Hydrocarbon Chemistry in Interstellar and Solar System Ices Revealed: A Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry Analysis of Ethane (C2H6) and D6-Ethane (C2D6) Ices Exposed to Ionizing Radiation

    NASA Astrophysics Data System (ADS)

    Abplanalp, Matthew J.; Kaiser, Ralf I.

    2016-08-01

    The irradiation of pure ethane (C2H6/C2D6) ices at 5.5 K, under ultrahigh vacuum conditions was conducted to investigate the formation of complex hydrocarbons via interaction with energetic electrons simulating the secondary electrons produced in the track of galactic cosmic rays. The chemical modifications of the ices were monitored in situ using Fourier transform infrared spectroscopy (FTIR) and during temperature-programmed desorption via mass spectrometry exploiting a quadrupole mass spectrometer with electron impact ionization (EI-QMS) as well as a reflectron time-of-flight mass spectrometer coupled to a photoionization source (PI-ReTOF-MS). FTIR confirmed previous ethane studies by detecting six molecules: methane (CH4), acetylene (C2H2), ethylene (C2H4), the ethyl radical (C2H5), 1-butene (C4H8), and n-butane (C4H10). However, the TPD phase, along with EI-QMS, and most importantly, PI-ReTOF-MS, revealed the formation of at least 23 hydrocarbons, many for the first time in ethane ice, which can be arranged in four groups with an increasing carbon-to-hydrogen ratio: C n H2n+2 (n = 3, 4, 6, 8, 10), C n H2n (n = 3–10), {{{C}}}n{{{H}}}2n-2 (n = 3–10), and {{{C}}}n{{{H}}}2n-4 (n = 4–6). The processing of simple ethane ices is relevant to the hydrocarbon chemistry in the interstellar medium, as ethane has been shown to be a major product of methane, as well as in the outer solar system. These data reveal that the processing of ethane ices can synthesize several key hydrocarbons such as C3H4 and C4H6 isomers, which ha­ve been found to synthesize polycyclic aromatic hydrocarbons like indene (C9H8) and naphtha­lene (C10H8) in the ISM and in hydrocarbon-rich atmospheres of planets and their moons such as Titan.

  14. Complex Hydrocarbon Chemistry in Interstellar and Solar System Ices Revealed: A Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry Analysis of Ethane (C2H6) and D6-Ethane (C2D6) Ices Exposed to Ionizing Radiation

    NASA Astrophysics Data System (ADS)

    Abplanalp, Matthew J.; Kaiser, Ralf I.

    2016-08-01

    The irradiation of pure ethane (C2H6/C2D6) ices at 5.5 K, under ultrahigh vacuum conditions was conducted to investigate the formation of complex hydrocarbons via interaction with energetic electrons simulating the secondary electrons produced in the track of galactic cosmic rays. The chemical modifications of the ices were monitored in situ using Fourier transform infrared spectroscopy (FTIR) and during temperature-programmed desorption via mass spectrometry exploiting a quadrupole mass spectrometer with electron impact ionization (EI-QMS) as well as a reflectron time-of-flight mass spectrometer coupled to a photoionization source (PI-ReTOF-MS). FTIR confirmed previous ethane studies by detecting six molecules: methane (CH4), acetylene (C2H2), ethylene (C2H4), the ethyl radical (C2H5), 1-butene (C4H8), and n-butane (C4H10). However, the TPD phase, along with EI-QMS, and most importantly, PI-ReTOF-MS, revealed the formation of at least 23 hydrocarbons, many for the first time in ethane ice, which can be arranged in four groups with an increasing carbon-to-hydrogen ratio: C n H2n+2 (n = 3, 4, 6, 8, 10), C n H2n (n = 3-10), {{{C}}}n{{{H}}}2n-2 (n = 3-10), and {{{C}}}n{{{H}}}2n-4 (n = 4-6). The processing of simple ethane ices is relevant to the hydrocarbon chemistry in the interstellar medium, as ethane has been shown to be a major product of methane, as well as in the outer solar system. These data reveal that the processing of ethane ices can synthesize several key hydrocarbons such as C3H4 and C4H6 isomers, which ha­ve been found to synthesize polycyclic aromatic hydrocarbons like indene (C9H8) and naphtha­lene (C10H8) in the ISM and in hydrocarbon-rich atmospheres of planets and their moons such as Titan.

  15. Synthesis of 4H/fcc-Au@Metal Sulfide Core-Shell Nanoribbons.

    PubMed

    Fan, Zhanxi; Zhang, Xiao; Yang, Jian; Wu, Xue-Jun; Liu, Zhengdong; Huang, Wei; Zhang, Hua

    2015-09-01

    Although great advances on the synthesis of Au-semiconductor heteronanostructures have been achieved, the crystal structure of Au components is limited to the common face-centered cubic (fcc) phase. Herein, we report the synthesis of 4H/fcc-Au@Ag2S core-shell nanoribbon (NRB) heterostructures from the 4H/fcc Au@Ag NRBs via the sulfurization of Ag. Remarkably, the obtained 4H/fcc-Au@Ag2S NRBs can be further converted to a novel class of 4H/fcc-Au@metal sulfide core-shell NRB heterostructures, referred to as 4H/fcc-Au@MS (M = Cd, Pb or Zn), through the cation exchange. We believe that these novel 4H/fcc-Au@metal sulfide NRB heteronanostructures may show some promising applications in catalysis, surface enhanced Raman scattering, solar cells, photothermal therapy, etc.

  16. Synthesis, Antiviral and Cytotoxic Activities of 2-(2-Phenyl carboxylic acid)-3-Phenylquinazolin -4(3H)-one Derivatives

    PubMed Central

    Selvam, P.; Murugesh, N.; Chandramohan, M.; Pannecouque, C.; DE Clercq, E.

    2010-01-01

    A series of novel 2,3-disubstitutedquinazolin-4(3H)-ones have been synthesized by condensation of 2-substituted benzo[1,3]oxazine-4-ones and anthranilic acid. Synthesized compounds were evaluated for in vitro antiviral activity against HIV, HSV and vaccinia viruses. 5-Bromo-2-(6-bromo-4-oxo-2-phenyl-4H-quinazolin-3-yl)-benzoic acid (MBR2) exhibited distinct antiviral activity against Herpes simplex and vaccinia viruses. PMID:21969760

  17. Synthesis, Antiviral and Cytotoxic Activities of 2-(2-Phenyl carboxylic acid)-3-Phenylquinazolin -4(3H)-one Derivatives.

    PubMed

    Selvam, P; Murugesh, N; Chandramohan, M; Pannecouque, C; DE Clercq, E

    2010-11-01

    A series of novel 2,3-disubstitutedquinazolin-4(3H)-ones have been synthesized by condensation of 2-substituted benzo[1,3]oxazine-4-ones and anthranilic acid. Synthesized compounds were evaluated for in vitro antiviral activity against HIV, HSV and vaccinia viruses. 5-Bromo-2-(6-bromo-4-oxo-2-phenyl-4H-quinazolin-3-yl)-benzoic acid (MBR2) exhibited distinct antiviral activity against Herpes simplex and vaccinia viruses.

  18. An XPS investigation of the interaction of CH 4, C 2H 2, C 2H 4 and C 2H 6 with a barium surface

    NASA Astrophysics Data System (ADS)

    Verhoeven, J. A. Th.; Van Doveren, H.

    1982-12-01

    The generation and pumping of hydrocarbon gases by a barium getter layer in electronic vacuum devices has been investigated by characterizing a barium film in an ultra high vacuum equipment by means of XPS before, during and after exposures to respectively CH 4, C 2H 2, C 2H 4 and C 2H 6. The reaction conditions (temperatures and pretreatment of the surface, background pressure and exposure doses) closely resemble those in electronic vacuum devices. The probability that a barium layer will react with CH 4 and C 2H 6 was below the detection limit. C 2H 2 and C 2H 4 give rise to the formation of barium carbide compounds and with a high reaction probability. In addition, the interaction with C 2H 2 reveals the formation of carbon-containing surface complexes. Investigations by means of XPS on the C Is spectral features show the presence of at least two groups of carbon-containing surface complexes, which behave differently in response to moderate heating and to an exposure to water vapour. In cases where oxygen is present at the surface, oxygen-containing (hydro) carbon adsorbates are present too. XPS observations of the behaviour of these surface complexes show similarities with reaction steps in the mechanisms proposed for the hydrogenation of CO in the Fischer-Tropsch synthesis of hydrocarbons. Low-pressure hydrogenation of these adsorbates containing hydrocarbons and oxygen can led to the formation of hydrocarbon gases in electronic vacuum devices.

  19. Quantitation of methadone enantiomers in humans using stable isotope-labeled (2H3)-, (2H5)-, and (2H8)Methadone

    SciTech Connect

    Nakamura, K.; Hachey, D.L.; Kreek, M.J.; Irving, C.S.; Klein, P.D.

    1982-01-01

    A new technique for simultaneous stereoselective kinetic studies of methadone enantiomers was developed using three deuterium-labeled forms of methadone and GLC-chemical-ionization mass spectrometry. A racemic mixture (1:1) of (R)-(-)-(2H5)methadone (l-form) and (S)-(R)-(2H3)methadone (d-form) was administered orally in place of a single daily dose of unlabeled (+/-)-(2H0)methadone in long-term maintenance patients. Racemic (+/-)-(2H8)methadone was used as an internal standard for the simultaneous quantitation of (2H0)-, (2H3)-, and (2H5)methadone in plasma and urine. A newly developed extraction procedure, using a short, disposable C18 reversed-phase cartridge and improved chemical-ionization procedures employing ammonia gas, resulted in significant reduction of the background impurities contributing to the ions used for isotopic abundance measurements. These improvements enabled the measurement of labeled plasma methadone levels for 120 hr following a single dose. This methodology was applied to the study of methadone kinetics in two patients; in both patients, the analgesically active l-enantiomer of the drug had a longer plasma elimination half-life and a smaller area under the plasma disappearance curve than did the inactive d-form.

  20. (/sup 3/H)nitrendipine binding to adrenal capsular membranes

    SciTech Connect

    Finkel, M.S.; Aguilera, G.; Catt, K.J.; Keiser, H.R.

    1984-08-20

    The physiologic regulation of aldosterone secretion is dependent on extracellular calcium and appears to be mediated by increases in cytosolic free calcium concentration in the zona glomerulosa cell. A specific role for voltage-dependent calcium channels was suggested by previous studies with the calcium channel antagonist verapamil. The authors therefore studied the (/sup 3/H)nitrendipine calcium channel binding site in adrenal capsules. These studies revealed a single class of saturable, high affinity sites with K/sub D/ = .26 +/- .04 nM and B/sub max/ = 105 +/- 5.7 fmol/mg protein. Specific binding of (/sup 3/H)nitrendipine was inhibited by calcium channel antagonists with potencies nitrendipine = nifedipine >> verapamil, while diltiazem had no inhibitory effect. In the rat, binding sites for (/sup 3/H)nitrendipine were located in the adrenal capsule and medulla and were undetectable in the zona fasciculata. Physiologic studies with collagenase-dispersed adrenal glomerulosa cells demonstrated that nifedipine selectively inhibited angiotensin-II and potassium-stimulated steroidogenesis. These observations suggest both a pharmacologic and physiologic role for the nitrendipine binding site in aldosterone production. 17 references, 2 figures, 1 table.

  1. 4-H PetPALS Juvenile Diversion Program Supports At-Risk Youth and Seniors

    ERIC Educational Resources Information Center

    Goble, Connie L.; Miller, Lucinda B.

    2014-01-01

    The 4-H PetPALS Juvenile Diversion Program provides a partnership opportunity with Extension and the juvenile court system to positively impact lives of at-risk youth. At-risk youth are taught by 4-H PetPALS adult volunteer leaders and 4-H PetPALS members to value and respect the human-animal bond, as well as to understand and empathize with…

  2. Effects of [3H]glucosamine concentration on [3H]chondroitin sulphate formation by cultured chondrocytes.

    PubMed Central

    Mroz, Paula J; Silbert, Jeremiah E

    2003-01-01

    GlcN (glucosamine) is now promoted over the counter for implied treatment of osteoarthritis, ostensibly by stimulating biosynthesis of cartilage chondroitin sulphate. In order to evaluate whether exogenous GlcN has any stimulatory effect, we have incubated mouse chondrocytes with [(35)S]sulphate and various amounts of GlcN, to determine whether any increment in chondroitin [(35)S]sulphate formation occurs. Similarly we have used varying concentrations of [(3)H]GlcN to determine the dilution of incorporation into [(3)H]chondroitin sulphate due to provision of endogenous GlcN by metabolism from glucose at two different glucose concentrations. The incorporation of both (35)S and (3)H was essentially linear over a 5 h time period. We found no stimulation of chondroitin [(35)S]sulphate synthesis at lower concentrations of GlcN, and a significant reduction at higher concentrations. Even at concentrations of [(3)H]GlcN that were greater than could be achieved with standard doses of oral GlcN, there was significant dilution of exogenous GlcN. Furthermore, an artificial acceptor for glycosaminoglycan synthesis in cell culture, 4-methylumbelliferyl beta-D-xyloside, did not modify the provision of GlcN from endogenous sources, even though it stimulated chondroitin sulphate synthesis 4 -5-fold at each GlcN concentration. We conclude that the cells have excess capacity to form maximal amounts of GlcN from glucose so that exogenous GlcN does not stimulate chondroitin sulphate synthesis. PMID:12943531

  3. AB INITIO CHARACTERIZATION OF C{sup -}{sub 4}, C{sub 4}H, AND C{sub 4}H{sup -}

    SciTech Connect

    Senent, M. L.

    2010-01-10

    Using state-of-the-art theoretical methods, we investigate the stable isomers of C{sup -}{sub 4}, C{sub 4}H and C{sub 4}H{sup -}. Three of them are relevant for astrophysics and astrochemistry. These computations are performed using highly correlated ab initio methods and the aug-cc-pVXZ (X = T,Q) basis sets. In addition to the linear isomers, we predict the existence of several cyclic and branched forms for these molecules. For all the molecular species of interest here, sets of spectroscopic parameters are determined with perturbation theory, which compare quite well with experiment. For l - C{sub 4}H{sup -}(X {sup 1}SIGMA{sup +}), the quartic force field is computed at the coupled cluster level of theory. This force field is derived from full nine-dimensional potential energy surface generated close to the equilibrium geometry of this anion. Finally, we treat the thermochemistry of the hydrogen attachment and the electron attachment reactions that may lead to the formation of the C{sub 4}H{sup -} from either C{sup -}{sub 4} or C{sub 4}H.

  4. Synthesis Of [2h, 13c]M [2h2m 13c], And [2h3,, 13c] Methyl Aryl Sulfones And Sulfoxides

    DOEpatents

    Martinez, Rodolfo A.; Alvarez, Marc A.; Silks, III, Louis A.; Unkefer, Clifford J.; Schmidt, Jurgen G.

    2004-07-20

    The present invention is directed to labeled compounds, [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2, .sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfones and [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2, .sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfoxides, wherein the .sup.13 C methyl group attached to the sulfur of the sulfone or sulfoxide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure: ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently, hydrogen, a C.sub.1 -C.sub.4 lower alkyl, a halogen, an amino group from the group consisting of NH.sub.2, NHR and NRR' where R and R' are each a C.sub.1 -C.sub.4 lower alkyl, a phenyl, or an alkoxy group. The present invention is also directed to processes of preparing methyl aryl sulfones and methyl aryl sulfoxides.

  5. Sequential afterglow processing and non-contact Corona-Kelvin metrology of 4H-silicon carbide

    NASA Astrophysics Data System (ADS)

    Short, Eugene L., III

    Silicon carbide (SiC) is a wide band-gap semiconductor with advantageous electrical and thermal properties making it attractive for high temperature and power applications. However, difficulties with oxide/SiC structures have posed challenges to the development of practical MOS-type devices. Surface conditioning and oxidation of 4H-SiC were investigated using a novel sequential afterglow processing approach combined with the unique capabilities of non-contact corona-Kelvin metrology. The use of remote plasma assisted thermal oxidation facilitated film growth at low temperature and pressure with the flexibility of sequential in-situ processing options including pre-oxidation surface conditioning. Corona-Kelvin metrology (C-KM) provided a fast, nondestructive method for electrical evaluation of oxide films and semiconductor surfaces. Non-contact C-KM oxide capacitance-voltage characteristics combined with direct measurement of SiC surfaces using C-KM depletion surface barrier monitoring and XPS analysis of surface chemistry were interpreted relating the impact of afterglow conditioning on the surface and its influence on subsequent oxide thin film growth. Afterglow oxide films of thicknesses 50--500 A were fabricated on SiC epi-layers at low growth temperatures in the range 600--850°C, an achievement not possible using conventional atmospheric oxidation techniques. The inclusion of pre-oxidation surface conditioning in forming gas (N2:H2)* afterglow was found to produce an increase in oxide growth rate (10--25%) and a significant improvement in oxide film thickness uniformity. Analysis of depletion voltage transients on conditioned SiC surfaces revealed the highest degree of surface passivation, uniformity, and elimination of sources of charge compensation accomplished by the (N2:H2)* afterglow treatment for 20 min. at 600--700°C compared to other conditioning variations. The state of surface passivation was determined to be very stable and resilient when exposed

  6. Removal of arsenic from effluents - a comparison between the FeSO{sub 4}/Air and FeSO{sub 4}/H{sub 2}O{sub 2} systems

    SciTech Connect

    Teixeira, L.A.; Kohler, H.M. |; Kohler, H.M.; Monteiro, A.G.

    1996-12-31

    This paper reports the results of kinetic studies involving the precipitation of arsenic from aqueous solutions as FeAsO{sub 4} / Fe(OH){sub 3}, using FeSO{sub 4} as source of Fe ions, and Air or H{sub 2}O{sub 2} as oxidizing agents. Both systems lead to an efficient removal of arsenic. The differences in oxidants performances are in the precipitation reaction rate - much faster using hydrogen peroxide. Mechanisms of reactions were suggested based on the following main steps: Fe(II) oxidation: 2 Fe{sup 2+} + 1/2 O{sub 2} + 2 H{sup +} 2 Fe{sup 3+} + H{sub 2}O 2 Fe{sup 2+} + H{sub 2}O{sub 2} + 2 H{sup +}= 2 Fe{sup 3+} + 2 H{sub 2}O As(III) oxidation: HAsO{sub 2} + 2 Fe {sup 3+} + 2 H{sub 2}O = 2 Fe{sup 2+} + H{sub 3}AsO{sub 4} + 2H{sup +} HAsO{sub 2} + H{sub 2}O{sub 2} = H{sub 3}ASO{sub 4} Precipitation: Fe{sup 3+} + H{sub 3}AsO{sub 4} = FeASO{sub 4} (s) + 3 H{sup +} H{sub 3}AsO{sub 4} + n Fe(OH){sub 3} (s) = H{sub 3}ASO{sub 4} (ads) [Fe(OH){sub 3}]{sub n} (s). 15 refs., 7 figs.

  7. Monolayer growth modes of Re and Nb on 4H -SiC(0001) and 4H-SiC(0001¯)

    NASA Astrophysics Data System (ADS)

    Bryant, K. W.; Bozack, M. J.

    2005-01-01

    Auger electron spectroscopy (AES) and secondary electron emission have been used to specify the room temperature monolayer adsorption characteristics of Re and Nb on the basal, polar surfaces of 4H -SiC. Measurement of the secondary electron emission current relates the absorbed crystal current to the change in AES peak-to-peak signal intensities for both substrate and adsorbate. For the 4H-SiC(0001) Si-face surface, both metals grow by formation of a single monolayer followed by growth of simultaneous monolayers. For the 4H -SiC(0001¯) C-face surface, both metals grow layer by layer (Frank-van der Merwe). Measurements of the coefficient of attenuation, inelastic mean free path, and coverage versus Auger intensities are also reported.

  8. Temporal pattern of incorporation of /sup 3/H precursors into pituitary glycoproteins and their subsequent release

    SciTech Connect

    Grotjan, H.E. Jr.

    1982-04-01

    The temporal pattern of incorporation of various /sup 3/H precursors into glycoproteins by rat anterior pituitaries incubated in vitro and the release of /sup 3/H-glycoproteins was examined. (/sup 3/H)Leucine incorporation was linear with respect to time and (/sup 3/H)leucine-containing macromolecules appeared in the media in about 1 hr. The temporal pattern of (/sup 3/H)mannose incorporation and release was similar. (/sup 3/H)Galactose and (/sup 3/H)fucose were incorporated after apparent time of delays of approximately 15 min and soon thereafter (20-25 min) appeared in the medium in /sup 3/H-glycoproteins. Thus, these precursors appear to be added as terminal residues. (/sup 3/H)Glucosamine exhibited a pattern intermediate between (/sup 3/H)leucine and (/sup 3/H)fucose whereas (/sup 3/H)GlcNAc appeared to be incorporated as a terminal residue.

  9. 7 CFR 8.9 - Use in 4-H fund raising.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ...-raising programs using the 4-H Name or Emblem may be carried out for specific educational purposes. Such... Research, Education, and Extension Service, United States Department of Agriculture, or a designee, if the fund-raising program is multi-State or Nationwide. (b) When used to promote 4-H educational...

  10. The 4-H Debate Project: Getting Adults and Children Involved in Communication.

    ERIC Educational Resources Information Center

    Atwater, Deborah F.

    Intended to enhance adult leadership skills, the 4-H Debate Project, developed by the 4-H Communication Committee of Delaware County (Pennsylvania), was designed to (1) increase the members' knowledge of library skills through research, (2) make them aware of current issues, (3) help them to become better public speakers and communicators, (4)…

  11. Factors Related to the Developmental Experiences of Youth Serving as 4-H Camp Counselors

    ERIC Educational Resources Information Center

    Carter, David N.; Kotrlik, Joe W.

    2008-01-01

    The purpose of this study was to investigate the developmental experiences of high-school-aged 4-H youth volunteering as counselors at Louisiana 4-H summer camps. A total of 288 counselors from 10 different camping sessions participated in the study. The Youth Experiences Survey 2.0 and the Developmental Experience Survey measured the personal…

  12. The Challenges Associated with Change in 4-H/Youth Development.

    ERIC Educational Resources Information Center

    McKee, Renee K.; Talbert, B. Allen; Barkman, Susan J.

    2002-01-01

    A survey of 97 Indiana 4-H/youth development educators and interviews with staff and volunteer board members indicated that volunteers believe in core 4-H values, recommend reaching more and different youth, and believe that the rural image inhibits progress. Staff interactions with volunteers, lack of parental involvement, group organization and…

  13. Bringing Carnaval Drum and Dance Traditions into 4-H Programming for Latino Youth

    ERIC Educational Resources Information Center

    Conklin-Ginop, Evelyn; Braverman, Marc T.; Caruso, Robyn; Bone, Dennis

    2011-01-01

    4-H Bloco Drum and Dance is an afterschool program that teaches adolescents drumming, dancing, and theater arts in the rich traditions of Brazilian Carnaval. Teens learn to express themselves in a variety of modalities and perform at community events. The program was developed by a community coalition that included 4-H, other youth programs, and…

  14. Cinnamate 4-Hydroxylase (C4H) genes from Leucaena leucocephala: a pulp yielding leguminous tree.

    PubMed

    Kumar, Santosh; Omer, Sumita; Patel, Krunal; Khan, Bashir M

    2013-02-01

    Leucaena leucocephala is a leguminous tree species accounting for one-fourth of raw material supplied to paper and pulp industry in India. Cinnamate 4-Hydroxylase (C4H, EC 1.14.13.11) is the second gene of phenylpropanoid pathway and a member of cytochrome P450 family. There is currently intense interest to alter or modify lignin content of L. leucocephala. Three highly similar C4H alleles of LlC4H1 gene were isolated and characterized. The alleles shared more than 98 % sequence identity at amino acid level to each other. Binding of partial promoter of another C4H gene LlC4H2, to varying amounts of crude nuclear proteins isolated from leaf and stem tissues of L. leucocephala formed two loose and one strong complex, respectively, suggesting that the abundance of proteins that bind with the partial C4H promoter is higher in stem tissue than in leaf tissue. Quantitative Real Time PCR study suggested that among tissues of same age, root tissues had highest level of C4H transcripts. Maximum transcript level was observed in 30 day old root tissue. Among the tissues investigated, C4H activity was highest in 60 day old root tissues. Tissue specific quantitative comparison of lignin from developing seedling stage to 1 year old tree stage indicated that Klason lignin increased in tissues with age. PMID:23070917

  15. 4-H and Forestry Afterschool Clubs: A Collaboration to Foster Stewardship Attitudes and Behaviors in Youth

    ERIC Educational Resources Information Center

    Gupta, Angela S.; Grant, Samantha; Strauss, Andrea Lorek

    2012-01-01

    The University of Minnesota Extension's 4-H and Forestry Afterschool program combined the 4-H structure and various forestry curricula to foster positive attitudes towards the environment and stewardship-related behaviors as these may serve as precursors to later choices that benefit the environment. Evaluation of third through fifth grade…

  16. The Effects of Age, Gender, and 4-H Involvement on Life Skill Development

    ERIC Educational Resources Information Center

    Haas, Bruce E.; Mincemoyer, Claudia C.; Perkins, Daniel F.

    2015-01-01

    The study reported here examined the effects of age, gender, and 4-H involvement in clubs on life skill development of youth ages eight to 18 over a 12-month period. Regression analyses found age, gender, and 4-H involvement significantly influenced life skill development. Results found that females have higher levels of competencies in life…

  17. 4-H and Tech Ed Partnership Gets Students Geeked about STEM

    ERIC Educational Resources Information Center

    Ivey, Debra; Quam, Greg

    2009-01-01

    This article discusses the 4-H Gateway Academies specifically designed to enhance science, technology, engineering, and math (STEM) skills and knowledge in middle school youth. The innovative summer day camps partnered Project Lead the Way--trained teachers with county 4-H staff from University of Wisconsin-Extension (UW-Extension) Cooperative…

  18. Birds in Your Backyard. 4-H Leaders Guide. L-5-17.

    ERIC Educational Resources Information Center

    Hawkes, Janet E.; Held Phillips, Diane

    This pocket folder of instructional materials is designed to introduce youth aged 9 to 12 to ornithology, the study of birds. The package includes a 4-H member's guide and a Leader's guide. The illustrated 4-H member's guide contains information about attracting and feeding birds. It also includes activities for cooking for birds, making bird…

  19. Acquisition, Custody, and Storage of Firearms Used in 4-H Shooting Sports Programs

    ERIC Educational Resources Information Center

    White, David J.; Smith, Jedediah D.

    2014-01-01

    Shooting sports has been a 4-H program offering since the 1930's. Tragic events related to the use of firearms as weapons have caused public and private entities to evaluate and consider the appropriateness of youth access to and usage of firearms. 4-H educators have the primary responsibility for managing the risk associated with shooting…

  20. 4-H and School-Age Care: A Great Combination! Point of View.

    ERIC Educational Resources Information Center

    Vandenbergh, Barbara D.

    1999-01-01

    Discusses the positive relationship between 4-H programs and school-age care programs, advocating the use of 4-H programs as a model for care, or as a source of care, caregiver training, or curriculum. Notes the role of the Cooperative Extension System in training and supporting school-age care providers. (JPB)

  1. Food Challenge: Serving Up 4-H to Non-Traditional Audiences

    ERIC Educational Resources Information Center

    Dodd, Sara; Follmer-Reece, Holly E.; Kostina-Ritchey, Erin; Reyna, Roxanna

    2015-01-01

    This article describes a novel approach for introducing 4-H to non-traditional/diverse audiences using 4-H Food Challenge. Set in a low SES and minority-serving rural school, Food Challenge was presented during the school day to all 7th grade students, with almost half voluntarily participating in an after-school club component. Program design…

  2. College Transition Study Shows 4-H Helps Youth Prepare for and Succeed in College

    ERIC Educational Resources Information Center

    Ratkos, Judy; Knollenberg, Lauren

    2015-01-01

    Many young adults enter college without the knowledge and skills necessary to succeed. The purpose of the study reported here was to determine if 4-H helps develop life skills needed for the transition to college and overall college success. An online survey was sent to college-attending 4-H alumni and a comparison group, with a final sample size…

  3. 4-H Youth Development: The Past, the Present, and the Future

    ERIC Educational Resources Information Center

    Borden, Lynne M.; Perkins, Daniel F.; Hawkey, Kyle

    2014-01-01

    The 4-H Program within Cooperative Extension is more than 100 years old. As we celebrate 100 years of Cooperative Extension, the foundation built by the 4-H Program serves as grounds to meet the needs of today's youth. The diversity of the youth who participate continues to grow, families continue to become less traditional, potential…

  4. 4-H Healthy Living Programs with Impact: A National Environmental Scan

    ERIC Educational Resources Information Center

    Downey, Laura H.; Peterson, Donna J.; LeMenestrel, Suzanne; Leatherman, JoAnne; Lang, James

    2014-01-01

    The 4-H youth development program of the nation's 109 land-grant universities and the Cooperative Extension System is one of the largest youth development organization in the United States serving approximately six million youth. The 4-H Healthy Living initiative began in 2008 to promote achievement of optimal physical, social, and emotional…

  5. Characteristics and Perceptions of 4-H Participants: Gender and Age Differences across Adolescence

    ERIC Educational Resources Information Center

    Bartoszuk, Karin; Randall, Brandy A.

    2011-01-01

    The study reported here examined 367 adolescent 4-H participants in terms of demographic, psychological, behavioral, and relational characteristics, as well as their perceptions and experiences in 4-H. Overall, participants scored high on all outcome variables except having a diverse population in their club. Older participants were more…

  6. Fitting the Framework: The STEM Institute and the 4-H Essential Elements

    ERIC Educational Resources Information Center

    Sallee, Jeff; Peek, Gina G.

    2014-01-01

    Extension and 4-H youth development programs are addressing a shortage of scientists, engineers, and other related professionals by promoting science, technology, engineering, and math (STEM). This case study illustrates how the Oklahoma 4-H Youth Development program trained youth-adult teams to design and implement STEM projects. The STEM…

  7. Global 4-H Network: Laying the Groundwork for Global Extension Opportunities

    ERIC Educational Resources Information Center

    Major, Jennifer; Miller, Rhonda

    2012-01-01

    A descriptive study examining 4-H programs in Africa, Asia, and Europe was conducted to provide understanding and direction in the establishment of a Global 4-H Network. Information regarding structure, organizational support, funding, and programming areas was gathered. Programs varied greatly by country, and many partnered with other 4-H…

  8. Absorption and metabolism of ( sup 3 H)arachidonic and ( sup 14 C)linoleic acid in essential fatty acid-deficient rats

    SciTech Connect

    Hjelte, L.; Melin, T.; Nilsson, A.; Strandvik, B. )

    1990-07-01

    ({sup 3}H)arachidonic acid (20:4) and ({sup 14}C)linoleic acid (18:2) were fed in a triolein emulsion to essential fatty acid-deficient (EFAD) rats and to age-matched controls. Tissues were analyzed for radioactivity of different lipid classes after 1, 2, and 4 h. As in earlier studies, control rats retained more ({sup 3}H)20:4 than ({sup 14}C)18:2 in all organs except adipose tissue. In EFAD rats, recovery of ({sup 14}C)18:2 was increased in small intestine, liver, heart, and kidneys. In comparison to controls, EFAD rats retained much more ({sup 14}C)18:2 in phospholipids of these organs. The increase in the incorporation of both {sup 3}H and {sup 14}C into phosphatidylethanolamine was particularly pronounced. Another striking feature was the drastic increase in the retention after 4 h of {sup 14}C in cardiolipin, which is specifically located in the inner mitochondrial membrane. In contrast, incorporation of both {sup 3}H and {sup 14}C into phosphatidylinositol was decreased or unchanged in EFAD rats. Although fecal fat excretion was increased there was no evidence for a malabsorption or an increased retention in intestinal triacyglycerol of the radioactive fatty acids in EFAD rats. The proportion of ({sup 14}C)18:2 that had been converted to ({sup 14}C)20:4 was generally low but increased significantly with time in the liver and intestine of EFAD rats.

  9. Simple method for the growth of 4H silicon carbide on silicon substrate

    NASA Astrophysics Data System (ADS)

    Asghar, M.; Shahid, M. Y.; Iqbal, F.; Fatima, K.; Nawaz, Muhammad Asif; Arbi, H. M.; Tsu, R.

    2016-03-01

    In this study we report thermal evaporation technique as a simple method for the growth of 4H silicon carbide on p-type silicon substrate. A mixture of Si and C60 powder of high purity (99.99%) was evaporated from molybdenum boat. The as grown film was characterized by XRD, FTIR, UV-Vis Spectrophotometer and Hall Measurements. The XRD pattern displayed four peaks at 2Θ angles 28.550, 32.700, 36.100 and 58.900 related to Si (1 1 1), 4H-SiC (1 0 0), 4H-SiC (1 1 1) and 4H-SiC (2 2 2), respectively. FTIR, UV-Vis spectrophotometer and electrical properties further strengthened the 4H-SiC growth.

  10. Ultra high voltage MOS controlled 4H-SiC power switching devices

    NASA Astrophysics Data System (ADS)

    Ryu, S.; Capell, C.; Van Brunt, E.; Jonas, C.; O'Loughlin, M.; Clayton, J.; Lam, K.; Pala, V.; Hull, B.; Lemma, Y.; Lichtenwalner, D.; Zhang, Q. J.; Richmond, J.; Butler, P.; Grider, D.; Casady, J.; Allen, S.; Palmour, J.; Hinojosa, M.; Tipton, C. W.; Scozzie, C.

    2015-08-01

    Ultra high voltage (UHV, >15 kV) 4H-silicon carbide (SiC) power devices have the potential to significantly improve the system performance, reliability, and cost of energy conversion systems by providing reduced part count, simplified circuit topology, and reduced switching losses. In this paper, we compare the two MOS based UHV 4H-SiC power switching devices; 15 kV 4H-SiC MOSFETs and 15 kV 4H-SiC n-IGBTs. The 15 kV 4H-SiC MOSFET shows a specific on-resistance of 204 mΩ cm2 at 25 °C, which increased to 570 mΩ cm2 at 150 °C. The 15 kV 4H-SiC MOSFET provides low, temperature-independent, switching losses which makes the device more attractive for applications that require higher switching frequencies. The 15 kV 4H-SiC n-IGBT shows a significantly lower forward voltage drop (VF), along with reasonable switching performance, which make it a very attractive device for high voltage applications with lower switching frequency requirements. An electrothermal analysis showed that the 15 kV 4H-SiC n-IGBT outperforms the 15 kV 4H-SiC MOSFET for applications with switching frequencies of less than 5 kHz. It was also shown that the use of a carrier storage layer (CSL) can significantly improve the conduction performance of the 15 kV 4H-SiC n-IGBTs.

  11. Effective theory of 3H and 3He

    NASA Astrophysics Data System (ADS)

    König, Sebastian; Grießhammer, Harald W.; Hammer, H.-W.; van Kolck, U.

    2016-06-01

    We present a new perturbative expansion for pionless effective field theory with Coulomb interactions in which at leading order (LO) the spin-singlet nucleon-nucleon channels are taken in the unitarity limit. Presenting results up to next-to-leading order for the Phillips line and the neutron-deuteron doublet-channel phase shift, we find that a perturbative expansion in the inverse {}1{S}0 scattering lengths converges rapidly. Using a new systematic treatment of the proton-proton sector that isolates the divergence due to one-photon exchange, we renormalize the corresponding contribution to the {}3{{H}} -{}3{He} binding energy splitting and demonstrate that the Coulomb force in pionless EFT is a completely perturbative effect in the trinucleon bound-state regime. In our new expansion, the LO is exactly isospin-symmetric. At next-to-leading order, we include isospin breaking via the Coulomb force and two-body scattering lengths, and find for the energy splitting {({E}B{(}3{He})-{E}B{(}3{{H}}))}{NLO}\\quad =(-0.86+/- 0.17)\\quad {MeV}.

  12. Beryllium-induced immune response in C3H mice

    SciTech Connect

    Benson, J.M.; Bice, D.E.; Nikula, K.J.

    1995-12-01

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

  13. A search for interstellar oxiranecarbonitrile (C3H3NO).

    PubMed

    Dickens, J E; Irvine, W M; Ohishi, M; Arrhenius, G; Pitsch, S; Bauder, A; Muller, F; Eschenmoser, A

    1996-04-01

    We report a search in cold, quiescent and in 'hot core' type interstellar molecular clouds for the small cyclic molecule oxiranecarbonitrile (C3H3NO), which has been suggested as a precursor of important prebiotic molecules. We have determined upper limits to the column density and fractional abundance for the observed sources and find that, typically, the fractional abundance by number relative to molecular hydrogen of C3H3NO is less than a few times 10(-10). This limit is one to two orders of magnitude less than the measured abundance of such similarly complex species as CH3CH2CN and HCOOCH3 in well-studied hot cores. A number of astrochemical discoveries were made, including the first detection of the species CH3CH2CN in the massive star-forming clouds G34.3+0.2 and W51M and the first astronomical detections of some eight rotational transitions of CH3CH2CN, CH3CCH, and HCOOCH3. In addition, we found 8 emission lines in the 89 GHz region and 18 in the 102 GHz region which we were unable to assign.

  14. Effective theory of 3H and 3He

    NASA Astrophysics Data System (ADS)

    König, Sebastian; Grießhammer, Harald W.; Hammer, H.-W.; van Kolck, U.

    2016-06-01

    We present a new perturbative expansion for pionless effective field theory with Coulomb interactions in which at leading order (LO) the spin-singlet nucleon–nucleon channels are taken in the unitarity limit. Presenting results up to next-to-leading order for the Phillips line and the neutron–deuteron doublet-channel phase shift, we find that a perturbative expansion in the inverse {}1{S}0 scattering lengths converges rapidly. Using a new systematic treatment of the proton–proton sector that isolates the divergence due to one-photon exchange, we renormalize the corresponding contribution to the {}3{{H}} –{}3{He} binding energy splitting and demonstrate that the Coulomb force in pionless EFT is a completely perturbative effect in the trinucleon bound-state regime. In our new expansion, the LO is exactly isospin-symmetric. At next-to-leading order, we include isospin breaking via the Coulomb force and two-body scattering lengths, and find for the energy splitting {({E}B{(}3{He})-{E}B{(}3{{H}}))}{NLO}\\quad =(-0.86+/- 0.17)\\quad {MeV}.

  15. A Search for Interstellar Oxiranecarbonitrile (C3H3NO)

    NASA Technical Reports Server (NTRS)

    Dicken, J. E.; Irvine, W. M.; Ohishi, M.; Arrhenius, G.; Bauder, A.; Mueller, F.; Eschenmoser, A.

    1996-01-01

    We report a search in cold, quiescent and in 'hot core' type interstellar molecular clouds for the small cyclic molecule oxiranecarbonitrile (C3H3NO), which has been suggested as a precursor of important prebiotic molecules. We have determined upper limits to the column density and fractional abundance for the observed sources and find that, typically, the fractional abundance by number relative to molecular hydrogen Of C3H3NO is less than a few times 10(exp -10). This limit is one to two orders of magnitude less than the measured abundance of such similarly complex species as CH3CH2CN and HCOOCH3 in well-studied hot cores. A number of astrochemical discoveries were made, including the first detection of the species CH3CH2CN in the massive star-forming clouds G34.3+0.2 and W51M and the first astronomical detections of some eight rotational transitions of CH3CH2CN, CH3CCH, and HCOOCH3. In addition, we found 8 emission lines in the 89 GHz region and 18 in the 102 GHz region which we were unable to assign.

  16. NUCLEAR AND HEAVY ION PHYSICS: Measurement of the astrophysical S factor for the low energy 2H(d,γ)4He reaction

    NASA Astrophysics Data System (ADS)

    Zhou, Jing; Fu, Yuan-Yong; Zhou, Shu-Hua; Xia, Hai-Hong; Li, Cheng-Bo; Meng, Qiu-Ying

    2009-05-01

    The γ-rays and protons from an Ed = 20 keV deuteron beam incident on a D—Ti target were measured. A branching ratio of the 2H(d,γ)4 He reaction versus the 2H(d,p) 3H reaction of Γγ/Γp = (1.06 ± 0.34) × 10-7 has been obtained, and the astrophysical S factor of the 2H(d,γ)4 He reaction at the center of mass energy Ecm approx 7 keV of (6.0 ± 2.4) × 10-6 keV·b was deduced.

  17. Wiggles and Wags: Dog 1--Fun Activities for You and Your Dog. 4-H Skills for Life Animal Series. National 4-H Curriculum. BU-08166

    ERIC Educational Resources Information Center

    National 4-H Council, 2005

    2005-01-01

    These guides are activity guides. Several fact-filled books about dogs are listed as resources on this guide. The activities are active, hands-on, and engaging and are guided by the 4-H motto: Learning by Doing. As youth explore a dog project topic of interest to them, they also practice essential life skills. Although a few dog project youth will…

  18. Bindings of /sup 3/H-prazosin and /sup 3/H-yohimbine to alpha adrenoceptors in the guinea-pig stomach

    SciTech Connect

    Taniguchi, T.; Nishikawa, H.

    1988-01-01

    Alpha adrenoceptor subtypes have been investigated by radioligand binding study in guinea-pig stomach using /sup 3/H-prazosin and /sup 3/H-yohimbine. The specific /sup 3/H-prazosin binding to guinea-pig stomach was saturable and of high affinity with a Bmax of 33 fmol/mg protein. Specific /sup 3/H-yohimbine binding to the tissue was also saturable and of high affinity with a Bmax of 150 fmol/mg protein. Adrenergic drugs competed for /sup 3/H-prazosin binding in order of prazosin > phentolamine > methoxamine > norepinephrine > clonidine > epinephrine > yohimbine. These drugs competed for /sup 3/H-yohimbine binding in order of yohimbine > phentolamine > clonidine > epinephrine > norepinephrine > prazosin > methoxamine. They also examined whether dopamine receptors exist in guinea-pig stomach, using radioligand binding study. Specific binding of /sup 3/H-spiperone, /sup 3/H-apomorphine, /sup 3/H-dopamine and /sup 3/H-domperidone was not detectable in the stomach. Dopaminergic drugs such as dopamine, haloperidol, domperidone and sulpiride competed for /sup 3/H-prazosin binding in order of haloperidol > domperidone > dopamine > sulpiride. Metoclopramide, sulpiride and dopamine competed for /sup 3/H-yohimbine binding in order of metoclopramide > sulpiride > dopamine.

  19. An Ash1-Like Protein MoKMT2H Null Mutant Is Delayed for Conidium Germination and Pathogenesis in Magnaporthe oryzae

    PubMed Central

    Cao, Zhaojun; Yin, Yue; Sun, Xuan; Han, Jun; Sun, Qing peng; Lu, Min

    2016-01-01

    Ash1 is a known H3K36-specific histone demethylase that is required for normal Hox gene expression and fertility in Drosophila and mammals. However, little is known about the expression and function of the fungal ortholog of Ash1 in phytopathogenic fungus Magnaporthe oryzae. Here we report that MoKMT2H, an Ash1-like protein, is required for conidium germination and virulence in rice. We obtained MoKMT2H null mutant (ΔMoKMT2H) using a target gene replacement strategy. In the ΔMoKMT2H null mutants, global histone methyltransferase modifications (H3K4me3, H3K9me3, H3K27me3, and H3K36me2/3) of the genome were unaffected. The ΔMoKMT2H mutants showed no defect in vegetative hyphal growth, conidium morphology, conidiation, or disease lesion formation on rice leaves. However, the MoKMT2H deletion mutants were delayed for conidium germination and consequently had decreased virulence. Taken together, our results indicated that MoKMT2H plays an important role in conidium germination during appressorium formation in the rice blast fungus and perhaps other pathogenic plant fungi. PMID:27747223

  20. Measurement of /sup 2/H/sub 2/O by IR absorbance in doubly labeled H/sub 2/O studies of energy expenditure

    SciTech Connect

    Karasov, W.H.; Han, L.R.; Munger, J.C.

    1988-07-01

    The energy expenditure of animals in their natural surroundings can be determined by measuring the turnover in body water of isotopes of oxygen and hydrogen. We evaluated the use of infrared spectrophotometry for measuring /sup 2/H/sub 2/O in small (20-microliters) water samples also labeled with 18O. For /sup 2/H/sub 2/O over the enrichment range of 0.1-1 atom%, there was a linear relationship between infrared absorbance and /sup 2/H/sub 2/O enrichment. /sup 2/H/sub 2/O enrichments could be measured with a precision and accuracy of less than or equal to 1%, using this relationship. The presence of /sup 18/O in water samples in enrichments of up to 1 atom% had no significant effect on measurement of /sup 2/H/sub 2/O by infrared absorbance. We measured the simultaneous turnover rates of /sup 2/H/sub 2/O and /sup 3/H in mice and turtles also labeled with 18O. Our results validated the use of infrared absorbance in doubly labeled water measures of energy expenditure and indicated that the fractionation factors in vivo for /sup 2/H/sub 2/O and /sup 3/H do not differ.

  1. Using 14C and 3H to understand groundwater flow and recharge in an aquifer window

    NASA Astrophysics Data System (ADS)

    Atkinson, A. P.; Cartwright, I.; Gilfedder, B. S.; Cendón, D. I.; Unland, N. P.; Hofmann, H.

    2014-12-01

    Knowledge of groundwater residence times and recharge locations is vital to the sustainable management of groundwater resources. Here we investigate groundwater residence times and patterns of recharge in the Gellibrand Valley, southeast Australia, where outcropping aquifer sediments of the Eastern View Formation form an "aquifer window" that may receive diffuse recharge from rainfall and recharge from the Gellibrand River. To determine recharge patterns and groundwater flow paths, environmental isotopes (3H, 14C, δ13C, δ18O, δ2H) are used in conjunction with groundwater geochemistry and continuous monitoring of groundwater elevation and electrical conductivity. The water table fluctuates by 0.9 to 3.7 m annually, implying recharge rates of 90 and 372 mm yr-1. However, residence times of shallow (11 to 29 m) groundwater determined by 14C are between 100 and 10 000 years, 3H activities are negligible in most of the groundwater, and groundwater electrical conductivity remains constant over the period of study. Deeper groundwater with older 14C ages has lower δ18O values than younger, shallower groundwater, which is consistent with it being derived from greater altitudes. The combined geochemistry data indicate that local recharge from precipitation within the valley occurs through the aquifer window, however much of the groundwater in the Gellibrand Valley predominantly originates from the regional recharge zone, the Barongarook High. The Gellibrand Valley is a regional discharge zone with upward head gradients that limits local recharge to the upper 10 m of the aquifer. Additionally, the groundwater head gradients adjacent to the Gellibrand River are generally upwards, implying that it does not recharge the surrounding groundwater and has limited bank storage. 14C ages and Cl concentrations are well correlated and Cl concentrations may be used to provide a first-order estimate of groundwater residence times. Progressively lower chloride concentrations from 10

  2. Using 14C and 3H to understand groundwater flow and recharge in an aquifer window

    NASA Astrophysics Data System (ADS)

    Atkinson, A. P.; Cartwright, I.; Gilfedder, B. S.; Cendón, D. I.; Unland, N. P.; Hofmann, H.

    2014-06-01

    Knowledge of groundwater residence times and recharge locations are vital to the sustainable management of groundwater resources. Here we investigate groundwater residence times and patterns of recharge in the Gellibrand Valley, southeast Australia, where outcropping aquifer sediments of the Eastern View Formation form an "aquifer window" that may receive diffuse recharge and recharge from the Gellibrand River. To determine recharge patterns and groundwater flowpaths, environmental isotopes (3H, 14C, δ13C, δ18O, δ2H) are used in conjunction with groundwater geochemistry and continuous monitoring of groundwater elevation and electrical conductivity. Despite the water table fluctuating by 0.9-3.7 m annually producing estimated recharge rates of 90 and 372 mm yr-1, residence times of shallow (11-29 m) groundwater determined by 14C ages are between 100 and 10 000 years. 3H activities are negligible in most of the groundwater and groundwater electrical conductivity in individual areas remains constant over the period of study. Although diffuse local recharge is evident, the depth to which it penetrates is limited to the upper 10 m of the aquifer. Rather, groundwater in the Gellibrand Valley predominantly originates from the regional recharge zone, the Barongarook High, and acts as a regional discharge zone where upward head gradients are maintained annually, limiting local recharge. Additionally, the Gellibrand River does not recharge the surrounding groundwater and has limited bank storage. 14C ages and Cl concentrations are well correlated and Cl concentrations may be used to provide a first-order estimate of groundwater residence times. Progressively lower chloride concentrations from 10 000 years BP to the present day are interpreted to indicate an increase in recharge rates on the Barongarook High.

  3. Encapsulated scintillators monitor /sup 3/H-solute concentrations

    SciTech Connect

    Kirk, G.; Gruner, S.

    1982-02-01

    The short range of the /sup 3/H beta allows shielding of microbeds of scintillator by a several um thick coating of a water based gel. Gels may be used which are permeable to a wide variety of tritiated molecules. Thus, the light output of a mixture of the coated beads and a solution of the tritiated compound is proportional to the solution concentration of the tritiated substance. The mixture may also contain particles to which the gel is impermeable, such as cells, vesicles, large proteins, etc., but which can alter the concentration of the tritiated compound by uptake or release. In this case, the light output monitors the fractional uptake of the tritiated material. The design criteria for encapsulating the scintillators and dynamically monitoring the scintillation output are discussed. A simple method for encapsulating plastic scintillator microbeads, suitable for monitoring slow concentration changes, is described and tested.

  4. Synthesis and characterization of 4-aryl-4H-chromenes from H-cardanol.

    PubMed

    Rao, Hulluru Surya Prakash; Kamalraj, Mani

    2014-09-01

    We have synthesized and characterized a variety of fat-soluble, low-melting and medicinally useful 4-aryl-4H-chromenes from H-cardanol (side-chain perhydrogenated cardanol, 3-pentadecylphenol), a renewable and low-cost product from locally grown cashew nut trees (Anacardium occidentale L.). We incorporated H-cardanol into the aromatic rings of either 4H-chromene or phenol, or both. Substitution of C4SMe in N-methyl-4-(methylthio)-3-nitro-4H-chromene-2-amines with H-cardanol was regio-specific at the C6 position. PMID:25918806

  5. Using Multiple Youth Programming Delivery Modes to Drive the Development of Social Capital in 4-H Participants

    ERIC Educational Resources Information Center

    Kinsey, Sharon

    2013-01-01

    This article focuses on how 4-H youth participants are building social capital, or connections among individuals and community members, through their 4-H experiences. These experiences can be seen through the lens of such 4-H delivery modes as the traditional 4-H club, after-school programs, and school enrichment programs. In addition, other…

  6. SWSextantis stars: the dominant population of cataclysmic variables with orbital periods between 3 and 4h

    NASA Astrophysics Data System (ADS)

    Rodríguez-Gil, P.; Gänsicke, B. T.; Hagen, H.-J.; Araujo-Betancor, S.; Aungwerojwit, A.; Allende Prieto, C.; Boyd, D.; Casares, J.; Engels, D.; Giannakis, O.; Harlaftis, E. T.; Kube, J.; Lehto, H.; Martínez-Pais, I. G.; Schwarz, R.; Skidmore, W.; Staude, A.; Torres, M. A. P.

    2007-06-01

    We present time-series optical photometry of five new cataclysmic variables (CVs) identified by the Hamburg Quasar Survey (HQS). The deep eclipses observed in HS 0129+2933 (= TT Tri), HS 0220+0603 and HS 0455+8315 provided very accurate orbital periods of 3.35129827(65), 3.58098501(34) and 3.56937674(26) h, respectively. HS 0805+3822 shows grazing eclipses and has a likely orbital period of 3.2169(2) h. Time-resolved optical spectroscopy of the new CVs (with the exception of HS 0805+3822) is also presented. Radial velocity studies of the Balmer emission lines provided an orbital period of 3.55 h for HS 1813+6122, which allowed us to identify the observed photometric signal at 3.39 h as a negative superhump wave. The spectroscopic behaviour exhibited by all the systems clearly identifies them as new SW Sextantis (SW Sex) stars. HS 0220+0603 shows unusual NII and SiII emission lines suggesting that the donor star may have experienced nuclear evolution via the CNO cycle. These five new additions to the class increase the number of known SW Sex stars to 35. Almost 40 per cent of the total SW Sex population do not show eclipses, invalidating the requirement of eclipses as a defining characteristic of the class and the models based on a high orbital inclination geometry alone. On the other hand, as more SW Sex stars are identified, the predominance of orbital periods in the narrow 3-4.5 h range is becoming more pronounced. In fact, almost half the CVs which populate the 3-4.5 h period interval are definite members of the class. The dominance of SW Sex stars is even stronger in the 2-3 h period gap, where they make up 55 per cent of all known gap CVs. These statistics are confirmed by our results from the HQS CVs. Remarkably, 54 per cent of the Hamburg nova-like variables have been identified as SW Sex stars with orbital periods in the 3-4.5 h range. The observation of this pile-up of systems close to the upper boundary of the period gap is difficult to reconcile with the

  7. Anion Photoelectron Spectroscopic Studies of the NbC4H4-, NbC6H6- and NbC6H4- Products of Flow Tube Reactions of Niobium with Butadiene

    NASA Astrophysics Data System (ADS)

    Baudhuin, Melissa A.; Boopalachandran, Praveenkumar; Schnepper, D. Alex; Leopold, Doreen; Miller, Stephen R.

    2014-06-01

    We report mass spectra, 488 nm anion photoelectron spectra, and density functional theory (DFT) calculations of organometallic complexes produced by flow tube reactions of niobium with butadiene (C4H6), and compare these results with those obtained upon reactions with ethylene (C2H4). In the C4H6 experiments, NbC4H4- is the most abundant product anion, indicating loss of H2 upon reaction with Nb. DFT analysis of the vibrationally-resolved photoelectron spectrum indicates that the 3A^' anion incorporates a five-membered Nb-C4 ring in which the Nb atom lies outside the C4 plane. The electron affinity of the corresponding neutral molecule (2A^') is measured to be 0.997 ± 0.006 eV. Upon reaction with C2H4, at least one additional isomer of NbC4H4- is produced, giving rise to broad spectral features at higher electron binding energies. Reactions with C4H6 also yield relatively small amounts of the NbC6H6- and NbC6H4- product anions, indicating C-C bond activation in addition to dehydrogenation. The former anion displays the 3A1, C6v Nb-benzene π-complex structure previously observed upon reaction with C2H4. The NbC6H4- anion produced upon reaction with C4H6 yields at least two vibrationally-resolved photodetachment transitions. DFT calculations performed to date suggest that the lower electron binding energy transition, which indicates an electron affinity of 1.110 ± 0.008 eV for the corresponding neutral complex, is due to the 4B2 ← 3B2 detachment from a planar, C2v Nb-benzyne anion.

  8. Phthalocyanines of a novel structure: Dinaphthotetraazaporphyrins with D[sub 2h] symmetry

    SciTech Connect

    Kobayashi, Nagao; Ashida, Tohru; Osa, Tetsuo Tohoku Univ., Kathahira, Sendai ); Konami, Hideo

    1994-04-27

    Phthalocyanines (Pcs) are compounds in which a benzene ring is fused to each of the four pyrrole rings of tetraazaporphyrins (TAPs). In addition to traditional uses as dyes and in xerography, they are now rapidly increasing in importance in many fields such as batteries, photodynamic cancer therapy, chemical sensors, molecular metals, and liquid crystals. Two naphthalene molecule-fused tetraazaporphyrins (TAPs) with D[sub 2h] symmetry have been synthesized, and some of their spectroscopic and electrochemical properties are reported. These compounds are structural isomers of phthalocyanines (Pcs) in the sense that four benzene units are fused to the TAP skeleton. In contrast to MPcs (M = metal) with D[sub 4h] symmetry, both the Q[sub o-o] and Soret bands split into two as a result of the lowering of the molecular symmetry. Magnetic circular dichroism (MCD) shows Faraday B terms corresponding to the peaks and shoulders of the electronic absorption spectra, indicating that no degenerate state is included. The fluorescence quantum yield of the zinc complex is much smaller than in ZnPc with D[sub 4h] symmetry. The electronic absorption and electrochemical redox data of these complexes are reproduced by molecular orbital (MO) calculations within the framework of the Pariser-Parr-Pople (PPP) approximation. The results are compared with those of Pcs and mononaphtho-TAPs.

  9. Clinical and treatment effects on /sup 3/H-clonidine and /sup 3/H-imipramine binding in elderly depressed patients

    SciTech Connect

    Georgotas, A.; Schweitzer, J.; McCue, R.E.; Armour, M.; Friedhoff, A.J.

    1987-06-01

    /sup 3/H-clonidine and /sup 3/H-imipramine binding were measured in depressed patients, 55 years and older. There was no significant difference in either /sup 3/H-clonidine or /sup 3/H-imipramine binding between depressed patients and age- and sex-matched controls. There was no significant correlation between /sup 3/H-clonidine or /sup 3/H-imipramine binding and severity of depression before treatment. There was a significant negative correlation between the K/sub D/ of /sup 3/H-imipramine binding sites and Hamilton score over seven weeks of antidepressant treatment. There was no significant difference between receptor data of responders and nonresponders to antidepressant treatment. 19 references, 2 tables.

  10. Exploring the dynamics of C/H and C/Cl exchanges in the C(3P) + C2H3Cl reaction

    NASA Astrophysics Data System (ADS)

    Lee, Shih-Huang; Chen, Wei-Kan; Chin, Chih-Hao; Huang, Wen-Jian

    2013-10-01

    The dynamics of the C(3P) + C2H3Cl reaction at collision energy 3.8 kcal mol-1 was investigated in a crossed molecular-beam apparatus using synchrotron vacuum-ultraviolet ionization. Time-of-flight spectra of products C3H2Cl, C3H3, and Cl were recorded at various laboratory scattering angles, from which translational-energy distributions and angular distributions of product channels C3H2Cl + H and C3H3 + Cl were derived. Cl correlates satisfactorily with C3H3 in linear momentum and angular distributions, which confirms the production of C3H3 + Cl. The H-loss (Cl-loss) channel has average translational-energy release 14.3 (8.8) kcal mol-1 corresponding to a fraction 0.30 (0.14) of available energy into the translational degrees of freedom of product HCCCHCl + H (H2CCCH + Cl). The branching ratio of channel H to channel Cl was determined approximately as 12:88. The measurements of translational-energy releases and photoionization thresholds cannot distinguish HCCCHCl from H2CCCCl because both isomers have similar enthalpy of formation and ionization energy; nevertheless, the Rice-Ramsperger-Kassel-Marcus calculation prefers HCCCHCl. The measurement of photoionization spectra identifies product C3H3 as H2CCCH (propargyl). Both products C3H2Cl + H and C3H3 + Cl might correlate to the same triplet intermediate H2CCCHCl but have distinct angular distributions; the former is nearly isotropic whereas the latter is forward biased. A comparison with the C(3P) + C2H3F reaction is stated.

  11. Exploring the dynamics of C/H and C/Cl exchanges in the C(3P) + C2H3Cl reaction.

    PubMed

    Lee, Shih-Huang; Chen, Wei-Kan; Chin, Chih-Hao; Huang, Wen-Jian

    2013-10-01

    The dynamics of the C((3)P) + C2H3Cl reaction at collision energy 3.8 kcal mol(-1) was investigated in a crossed molecular-beam apparatus using synchrotron vacuum-ultraviolet ionization. Time-of-flight spectra of products C3H2Cl, C3H3, and Cl were recorded at various laboratory scattering angles, from which translational-energy distributions and angular distributions of product channels C3H2Cl + H and C3H3 + Cl were derived. Cl correlates satisfactorily with C3H3 in linear momentum and angular distributions, which confirms the production of C3H3 + Cl. The H-loss (Cl-loss) channel has average translational-energy release 14.3 (8.8) kcal mol(-1) corresponding to a fraction 0.30 (0.14) of available energy into the translational degrees of freedom of product HCCCHCl + H (H2CCCH + Cl). The branching ratio of channel H to channel Cl was determined approximately as 12:88. The measurements of translational-energy releases and photoionization thresholds cannot distinguish HCCCHCl from H2CCCCl because both isomers have similar enthalpy of formation and ionization energy; nevertheless, the Rice-Ramsperger-Kassel-Marcus calculation prefers HCCCHCl. The measurement of photoionization spectra identifies product C3H3 as H2CCCH (propargyl). Both products C3H2Cl + H and C3H3 + Cl might correlate to the same triplet intermediate H2CCCHCl but have distinct angular distributions; the former is nearly isotropic whereas the latter is forward biased. A comparison with the C((3)P) + C2H3F reaction is stated.

  12. Temperature and pressure dependent rate coefficients for the reaction of C2H4 + HO2 on the C2H4O2H potential energy surface.

    PubMed

    Guo, JunJiang; Xu, JiaQi; Li, ZeRong; Tan, NingXin; Li, XiangYuan

    2015-04-01

    The potential energy surface (PES) for reaction C2H4 + HO2 was examined by using the quantum chemical methods. All rates were determined computationally using the CBS-QB3 composite method combined with conventional transition state theory(TST), variational transition-state theory (VTST) and Rice-Ramsberger-Kassel-Marcus/master-equation (RRKM/ME) theory. The geometries optimization and the vibrational frequency analysis of reactants, transition states, and products were performed at the B3LYP/CBSB7 level. The composite CBS-QB3 method was applied for energy calculations. The major product channel of reaction C2H4 + HO2 is the formation C2H4O2H via an OH(···)π complex with 3.7 kcal/mol binding energy which exhibits negative-temperature dependence. We further investigated the reactions related to this complex, which were ignored in previous studies. Thermochemical properties of the species involved in the reactions were determined using the CBS-QB3 method, and enthalpies of formation of species were compared with literature values. The calculated rate constants are in good agreement with those available from literature and given in modified Arrhenius equation form, which are serviceable in combustion modeling of hydrocarbons. Finally, in order to illustrate the effect for low-temperature ignition of our new rate constants, we have implemented them into the existing mechanisms, which can predict ethylene ignition in a shock tube with better performance.

  13. Temperature and pressure dependent rate coefficients for the reaction of C2H4 + HO2 on the C2H4O2H potential energy surface.

    PubMed

    Guo, JunJiang; Xu, JiaQi; Li, ZeRong; Tan, NingXin; Li, XiangYuan

    2015-04-01

    The potential energy surface (PES) for reaction C2H4 + HO2 was examined by using the quantum chemical methods. All rates were determined computationally using the CBS-QB3 composite method combined with conventional transition state theory(TST), variational transition-state theory (VTST) and Rice-Ramsberger-Kassel-Marcus/master-equation (RRKM/ME) theory. The geometries optimization and the vibrational frequency analysis of reactants, transition states, and products were performed at the B3LYP/CBSB7 level. The composite CBS-QB3 method was applied for energy calculations. The major product channel of reaction C2H4 + HO2 is the formation C2H4O2H via an OH(···)π complex with 3.7 kcal/mol binding energy which exhibits negative-temperature dependence. We further investigated the reactions related to this complex, which were ignored in previous studies. Thermochemical properties of the species involved in the reactions were determined using the CBS-QB3 method, and enthalpies of formation of species were compared with literature values. The calculated rate constants are in good agreement with those available from literature and given in modified Arrhenius equation form, which are serviceable in combustion modeling of hydrocarbons. Finally, in order to illustrate the effect for low-temperature ignition of our new rate constants, we have implemented them into the existing mechanisms, which can predict ethylene ignition in a shock tube with better performance. PMID:25774424

  14. Selective labeling of serotonin uptake sites in rat brain by (/sup 3/H)citalopram contrasted to labeling of multiple sites by (/sup 3/H)imipramine

    SciTech Connect

    D'Amato, R.J.; Largent, B.L.; Snowman, A.M.; Snyder, S.H.

    1987-07-01

    Citalopram is a potent and selective inhibitor of neuronal serotonin uptake. In rat brain membranes (/sup 3/H)citalopram demonstrates saturable and reversible binding with a KD of 0.8 nM and a maximal number of binding sites (Bmax) of 570 fmol/mg of protein. The drug specificity for (/sup 3/H)citalopram binding and synaptosomal serotonin uptake are closely correlated. Inhibition of (/sup 3/H)citalopram binding by both serotonin and imipramine is consistent with a competitive interaction in both equilibrium and kinetic analyses. The autoradiographic pattern of (/sup 3/H)citalopram binding sites closely resembles the distribution of serotonin. By contrast, detailed equilibrium-saturation analysis of (/sup 3/H)imipramine binding reveals two binding components, i.e., high affinity (KD = 9 nM, Bmax = 420 fmol/mg of protein) and low affinity (KD = 553 nM, Bmax = 8560 fmol/mg of protein) sites. Specific (/sup 3/H)imipramine binding, defined as the binding inhibited by 100 microM desipramine, is displaced only partially by serotonin. Various studies reveal that the serotonin-sensitive portion of binding corresponds to the high affinity sites of (/sup 3/H)imipramine binding whereas the serotonin-insensitive binding corresponds to the low affinity sites. Lesioning of serotonin neurons with p-chloroamphetamine causes a large decrease in (/sup 3/H)citalopram and serotonin-sensitive (/sup 3/H)imipramine binding with only a small effect on serotonin-insensitive (/sup 3/H)imipramine binding. The dissociation rate of (/sup 3/H)imipramine or (/sup 3/H)citalopram is not altered by citalopram, imipramine or serotonin up to concentrations of 10 microM. The regional distribution of serotonin sensitive (/sup 3/H)imipramine high affinity binding sites closely resembles that of (/sup 3/H)citalopram binding.

  15. 3,4-Methylenedioxyamphetamine (MDA) analogues exhibit differential effects on synaptosomal release of 3H-dopamine and 3H-5-hydroxytryptamine

    SciTech Connect

    McKenna, D.J.; Guan, X.M.; Shulgin, A.T. )

    1991-03-01

    The effect of various analogues of the neurotoxic amphetamine derivative, MDA (3,4-methylenedioxyamphetamine) on carrier-mediated, calcium-independent release of 3H-5-HT and 3H-DA from rat brain synaptosomes was investigated. Both enantiomers of the neurotoxic analogues MDA and MDMA (3,4-methylenedioxymethamphetamine) induce synaptosomal release of 3H-5-HT and 3H-DA in vitro. The release of 3H-5-HT induced by MDMA is partially blocked by 10(-6) M fluoxetine. The (+) enantiomers of both MDA and MDMA are more potent than the (-) enantiomers as releasers of both 3H-5-HT and 3H-DA. Eleven analogues, differing from MDA with respect to the nature and number of ring and/or side chain substituents, also show some activity in the release experiments, and are more potent as releasers of 3H-5-HT than of 3H-DA. The amphetamine derivatives {plus minus}fenfluramine, {plus minus}norfenfluramine, {plus minus}MDE, {plus minus}PCA, and d-methamphetamine are all potent releasers of 3H-5-HT and show varying degrees of activity as 3H-DA releasers. The hallucinogen DOM does not cause significant release of either 3H-monoamine. Possible long-term serotonergic neurotoxicity was assessed by quantifying the density of 5-HT uptake sites in rats treated with multiple doses of selected analogues using 3H-paroxetine to label 5-HT uptake sites. In the neurotoxicity study of the compounds investigated, only (+)MDA caused a significant loss of 5-HT uptake sites in comparison to saline-treated controls. These results are discussed in terms of the apparent structure-activity properties affecting 3H-monoamine release and their possible relevance to neurotoxicity in this series of MDA congeners.

  16. Reaching Migrant Farmworker Youth through 4-H Career and Workforce Programs.

    ERIC Educational Resources Information Center

    Wille, Celina G.

    1999-01-01

    Migrant-farm-worker youth learned about employment and educational opportunities in agriculture through a 4-H-sponsored conference. The conference was developed by a partnership of university extension, community organizations, schools, and private industry. (SK)

  17. Ferromagnetism in proton irradiated 4H-SiC single crystal

    SciTech Connect

    Zhou, Ren-Wei; Wang, Hua-Jie; Chen, Wei-Bin; Li, Fei; Liu, Xue-Chao Zhuo, Shi-Yi; Shi, Er-Wei

    2015-04-15

    Room-temperature ferromagnetism is observed in proton irradiated 4H-SiC single crystal. An initial increase in proton dose leads to pronounced ferromagnetism, accompanying with obvious increase in vacancy concentration. Further increase in irradiation dose lowers the saturation magnetization with the decrease in total vacancy defects due to the defects recombination. It is found that divacancies are the mainly defects in proton irradiated 4H-SiC and responsible for the observed ferromagnetism.

  18. Phosphorus doping of 4H SiC by liquid immersion excimer laser irradiation

    SciTech Connect

    Ikeda, Akihiro; Nishi, Koji; Ikenoue, Hiroshi; Asano, Tanemasa

    2013-02-04

    Phosphorus doping of 4H SiC is performed by KrF excimer laser irradiation of 4H SiC immersed in phosphoric acid. Phosphorus is incorporated to a depth of a few tens of nanometers at a concentration of over 10{sup 20}/cm{sup 3} without generating significant crystal defects. Formation of a pn junction diode with an ideality factor of 1.06 is demonstrated.

  19. Fabrication of High-Q Nanobeam Photonic Crystals in Epitaxially Grown 4H-SiC.

    PubMed

    Bracher, David O; Hu, Evelyn L

    2015-09-01

    Silicon carbide (SiC) is an intriguing material due to the presence of spin-active point defects in several polytypes, including 4H-SiC. For many quantum information and sensing applications involving such point defects, it is important to couple their emission to high quality optical cavities. Here we present the fabrication of 1D nanobeam photonic crystal cavities (PCC) in 4H-SiC using a dopant-selective etch to undercut a homoepitaxially grown epilayer of p-type 4H-SiC. These are the first PCCs demonstrated in 4H-SiC and show high quality factors (Q) of up to ∼7000 as well as low modal volumes of <0.5 (λ/n)(3). We take advantage of the high device yield of this fabrication method to characterize hundreds of devices and determine which PCC geometries are optimal. Additionally, we demonstrate two methods to tune the resonant wavelengths of the PCCs over 5 nm without significant degradation of the Q. Lastly, we characterize nanobeam PCCs coupled to luminescence from silicon vacancy point defects (V1, V2) in 4H-SiC. The fundamental modes of two such PCCs are tuned into spectral overlap with the zero phonon line (ZPL) of the V2 center, resulting in an intensity increase of up to 3-fold. These results are important steps on the path to developing 4H-SiC as a platform for quantum information and sensing.

  20. Synthesis of 4H/fcc Noble Multimetallic Nanoribbons for Electrocatalytic Hydrogen Evolution Reaction.

    PubMed

    Fan, Zhanxi; Luo, Zhimin; Huang, Xiao; Li, Bing; Chen, Ye; Wang, Jie; Hu, Yanling; Zhang, Hua

    2016-02-01

    Noble multimetallic nanomaterials, if only consisting of Au, Ag, Pt, and Pd, typically adopt the high-symmetry face-centered cubic (fcc) structure. Here for the first time, by using the 4H/fcc Au@Ag nanoribbons (NRBs) as seeds, we report the synthesis of 4H/fcc trimetallic Au@PdAg core-shell NRBs via the galvanic reaction method under ambient conditions. Moreover, this strategy can also be used to synthesize 4H/fcc trimetallic Au@PtAg and quatermetallic Au@PtPdAg core-shell NRBs. Impressively, for the first time, these alloy shells, i.e., PdAg, PtAg, and PtPdAg, epitaxially grown on the 4H/fcc Au core with novel 4H hexagonal phase were successfully synthesized. Remarkably, the obtained 4H/fcc Au@PdAg NRBs exhibit excellent electrocatalytic activity toward the hydrogen evolution reaction, which is even quite close to that of the commercial Pt black. We believe that our findings here may provide a novel strategy for the crystal-structure-controlled synthesis of advanced functional noble multimetallic nanomaterials with various promising applications.

  1. The crystal structure of "green" Cs 2[VOF 4(H 2O)] and its relationship to "blue" Cs 2[VOF 4(H 2O)

    NASA Astrophysics Data System (ADS)

    Mattes, Rainer; Foerster, Harry

    1982-11-01

    Crystals of a second, "green" modification of Cs 2[VOF 4(H 2O)] were obtained from aqueous solution. Their crystal structure was studied on the basis of three-dimensional X-ray data. The structure is orthorhombic, a = 8.231(3), b = 10.323(3), c = 8.497(3) Å, V = 722.0Å 3, Z = 4, space group Ccmm. The final R and RW were 0.035 and 0.048, respectively, for 421 independent reflections. As the already known "blue" modification, the present structure contains isolated, highly deformed octahedral [VOF 4(H 2O)] 2- ions with the oxygen atoms in trans positions. The cesium sublattice and the orientation of the anions to each other are completely different in both modifications. uv/VIS reflection, and ir and Raman spectra of both modifications are discussed.

  2. Organic Compounds in the C3H6O3 Family: Microwave Spectrum of cis-cis Dimethyl Carbonate

    NASA Astrophysics Data System (ADS)

    McGuire, B. A.; Widicus Weaver, S. L.; Lovas, F. J.; Plusquellic, D. F.; Blake, G. A.

    2011-05-01

    A number of recent spectroscopic and observational efforts have focused on simple sugars and sugar alcohols because of their importance in prebiotic astro- chemistry. The simplest sugar-related species, glycolaldehyde, has been detected in Sgr B2(N), as have its C2H4O2 structural isomers acetic acid and methyl formate. Additional studies of the C3-sugars with empirical formula C3H6O3, glyceraldehyde and dihydroxyacetone, resulted in no clear interstellar detection. Structural isomerism is extensive in interstellar clouds, and there is a high level of correlation between the relative energies of isomers and their relative abundances, with the lowest energy isomers detected in greatest abundance. The detected members of the C2H4O2 family, however, defy this trend, having relative abundances of (acetic acid):(glycolaldehyde):(methyl formate) of about 2:1:52, despite acetic acid being the lowest energy isomer. These puzzling abundance ratios and the lack of detection of the C3H6O3 sugars gives rise to the question: "Which is the most likely isomer in the C3H6O3 family to be detectable in inter- stellar clouds?" In an attempt to answer this question, we carried out geometry optimization calculations to determine the relative binding energies of the 13 members of the C3H6O3 family. Of the four lowest- energy isomers, only lactic acid [CH3CH(OH)COOH] and dimethyl carbonate [(CH3)2CO3] are commercially available, and lactic acid has been previously investigated spectroscopically. We have therefore conducted a laboratory study of dimethyl carbonate, measuring its rotational spectrum from 8.4 - 25.3 GHz using a Fourier-Transform microwave spectrometer, and from 227 - 350 GHz using a direct absorption spectrometer. We report on the theoretical calculations performed on the C3H6O3 family of isomers, the experimental studies of cis-cis dimethyl carbonate, and the implica- tions of these results for interstellar chemistry. The details of this work are also reported in Lovas et

  3. Heterozygous FA2H mutations in autism spectrum disorders

    PubMed Central

    2013-01-01

    Background Widespread abnormalities in white matter development are frequently reported in cases of autism spectrum disorders (ASD) and could be involved in the disconnectivity suggested in these disorders. Homozygous mutations in the gene coding for fatty-acid 2-hydroxylase (FA2H), an enzyme involved in myelin synthesis, are associated with complex leukodystrophies, but little is known about the functional impact of heterozygous FA2H mutations. We hypothesized that rare deleterious heterozygous mutations of FA2H might constitute risk factors for ASD. Methods We searched deleterious mutations affecting FA2H, by genotyping 1256 independent patients with ASD genotyped using Genome Wide SNP arrays, and also by sequencing in independent set of 186 subjects with ASD and 353 controls. We then explored the impact of the identified mutations by measuring FA2H enzymatic activity and expression, in transfected COS7 cells. Results One heterozygous deletion within 16q22.3-q23.1 including FA2H was observed in two siblings who share symptoms of autism and severe cognitive impairment, axial T2-FLAIR weighted MRI posterior periventricular white matter lesions. Also, two rare non-synonymous mutations (R113W and R113Q) were reported. Although predictive models suggested that R113W should be a deleterious, we did not find that FA2H activity was affected by expression of the R113W mutation in cultured COS cells. Conclusions While our results do not support a major role for FA2H coding variants in ASD, a screening of other genes related to myelin synthesis would allow us to better understand the role of non-neuronal elements in ASD susceptibility. PMID:24299421

  4. Xyloglucan undergoes interpolymeric transglycosylation during binding to the plant cell wall in vivo: evidence from 13C/3H dual labelling and isopycnic centrifugation in caesium trifluoroacetate.

    PubMed Central

    Thompson, J E; Smith, R C; Fry, S C

    1997-01-01

    Xyloglucan from the walls of Rosa cells that had been cultured on [12C]- or [13C]-glucose formed bands in caesium trifluoroacetate with mean buoyant densities of 1.575 or 1.616 g/ml respectively. Incubation of a mixture of [13C,3H]xyloglucan and [12C,1H]xyloglucan in the presence of xyloglucan endotransglycosylase (XET) activity caused the mean buoyant density of the radioactive material to decrease, indicating that interpolymeric transglycosylation could be detected in vitro. We used two 13C/3H-dual-labelling protocols to look for interpolymeric transglycosylation in vivo. In protocol A, [13C]glucose-grown Rosa cells were transferred into [12C]glucose medium 6 h after a approximately 2 h pulse of l-[1-3H]arabinose (which radiolabels the xylose residues of xyloglucan). The mean buoyant density of the wall-bound [3H]xyloglucan decreased during the following 7 days in culture. This indicates that, during or after the wall-binding of newly synthesized [12C,1H]xyloglucan, it became covalently attached to previously wall-bound [13C, 3H]xyloglucan. In protocol B, [12C]glycerol- or [12C]glucose-grown Rosa cells were transferred into [13C]glucose medium, 20 or 60 min before a approximately 2 h pulse of [3H]arabinose. The buoyant density of the earliest wall-bound [3H]xyloglucan showed that it had a 12C/13C ratio of approximately 1:1. This indicates that, during (or, implausibly, before) wall-binding, the newly synthesized [13C, 3H]xyloglucan became covalently attached to previously synthesized [12C]xyloglucan. During the following 7 days in culture, the mean buoyant density of the [3H]xyloglucan increased, showing that later-synthesized [13C,1H]xyloglucan can be covalently attached to previously wall-bound [12C,13C,3H]xyloglucan. The only known mechanism by which segments of xyloglucans could become covalently attached to each other in the cell wall is by interpolymeric transglycosylation catalysed by XET. We conclude that XET-catalysed interpolymeric transglycosylation

  5. C2H observations toward the Orion Bar

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

    Context. The ethynyl radical (C2H) is one of the first radicals to be detected in the interstellar medium. Its higher rotational transitions have recently become available with the Herschel Space Observatory. Aims: We aim to constrain the physical parameters of the C2H emitting gas toward the Orion Bar. Methods: We analyze the C2H line intensities measured toward the Orion Bar CO+ Peak and Herschel/HIFI maps of C2H, CH, and HCO+ and a NANTEN map of [Ci]. We interpret the observed C2H emission using the combination of Herschel/HIFI and NANTEN data with radiative transfer and PDR models. Results: Five rotational transitions of C2H (from N = 6-5 up to N = 10-9) have been detected in the HIFI frequency range toward the CO+ peak of the Orion Bar. Based on the five detected C2H transitions, a single component rotational diagram analysis gives a rotation temperature of ~64 K and a beam-averaged C2H column density of 4 × 1013 cm-2. The rotational diagram is also consistent with a two-component fit, resulting in rotation temperatures of 43 ± 0.2 K and 123 ± 21 K and in beam-averaged column densities of ~8.3 × 1013 cm-2 and ~2.3 × 1013 cm-2 for the three lower-N and for the three higher-N transitions, respectively. The measured five rotational transitions cannot be explained by any single parameter model. According to a non-LTE model, most of the C2H column density produces the lower-N C2H transitions and traces a warm (Tkin ~ 100-150 K) and dense (n(H2) ~ 105-106 cm-3) gas. A small fraction of the C2H column density is required to reproduce the intensity of the highest-N transitions (N = 9-8 and N = 10-9) originating in a high-density (n(H2) ~5 × 106 cm-3) hot (Tkin ~ 400 K) gas. The total beam-averaged C2H column density in the model is 1014 cm-2. A comparison of the spatial distribution of C2H to those of CH, HCO+, and [Ci] shows the best correlation with CH. Conclusions: Both the non-LTE radiative transfer model and a simple PDR model representing the Orion Bar

  6. (/sup 3/H)U-69593 labels a subtype of kappa opiate receptor with characteristics different from that labeled by (/sup 3/H)ethylketocyclazocine

    SciTech Connect

    Nock, B.; Rajpara, A.; O'Connor, L.H.; Cicero, T.J.

    1988-01-01

    (/sup 3/H)U-69593 is an opiate agonist that has been reported to bind in vitro with high affinity and selectivity to the kappa receptor subtype. The studies reported here were designed to determine the optimal conditions for labeling kappa receptors with (/sup 3/H)U-69593 and to further characterize the binding site. The effects of temperature and NaCl on (/sup 3/H)U-69593 binding were of particular interest because previous studies reported that (/sup 3/H)ethylketocyclazocine ((/sup 3/H)EKC) and (/sup 3/H)bremazocine binding to kappa receptors was optimal at 4/sup 0/C in the presence of NaCl. Those conditions were not found to be optimal for (/sup 3/H)U-69593 binding. Although the pharmacological specificity and Bmax of (/sup 3/H)U-69593 binding was similar at room temperature and at 4/sup 0/C, the binding affinity was approximately three times lower at 4/sup 0/C than at room temperature. In addition, NaCl had an effect on (/sup 3/H)U-69593 binding that was opposite that on (/sup 3/H)EKC binding at 4/sup 0/C. These differences between (/sup 3/H)U-69593 and (/sup 3/H)EKC binding at 4/sup 0/C were accentuated by a vast difference in the density of the binding sites and suggested that (/sup 3/H)U-69593 might bind selectively to a kappa receptor subtype.

  7. Detection of the Elusive Triazane Molecule (N3 H5 ) in the Gas Phase.

    PubMed

    Förstel, Marko; Maksyutenko, Pavlo; Jones, Brant M; Sun, Bing-Jian; Chen, Shih-Hua; Chang, Agnes H-H; Kaiser, Ralf I

    2015-10-26

    We report the detection of triazane (N3 H5 ) in the gas phase. Triazane is a higher order nitrogen hydride of ammonia (NH3 ) and hydrazine (N2 H4 ) of fundamental importance for the understanding of the stability of single-bonded chains of nitrogen atoms and a potential key intermediate in hydrogen-nitrogen chemistry. The experimental results along with electronic-structure calculations reveal that triazane presents a stable molecule with a nitrogen-nitrogen bond length that is a few picometers shorter than that of hydrazine and has a lifetime exceeding 6±2 μs at a sublimation temperature of 170 K. Triazane was synthesized through irradiation of ammonia ice with energetic electrons and was detected in the gas phase upon sublimation of the ice through soft vacuum ultraviolet (VUV) photoionization coupled with a reflectron-time-of-flight mass spectrometer. Isotopic substitution experiments exploiting [D3 ]-ammonia ice confirmed the identification through the detection of its fully deuterated counterpart [D5 ]-triazane (N3 D5 ).

  8. In vivo labeling of cocaine receptors with sup 3 H-(-) cocaine, sup 3 H-WIN 35,065-2 and sup 3 H-WIN 35,428

    SciTech Connect

    Scheffel, U.; Boja, J.W.; Stathis, M.; Kuhar, M.J. )

    1990-02-26

    {sup 11}C-(-)cocaine (-COC) has recently been employed to image -COC binding sites in vivo using PET. Two analogs of -COC, WIN 35,065-2 (WIN-2) and WIN 35,428 (CFT), have been shown in vitro to exhibit higher affinity for the -COC receptor than -COC. The present study evaluates {sup 3}H-WIN-2 and {sup 3}H-CFT as in vivo receptor labels in mice with a view towards the use of these compounds as PET ligands for -COC receptors in the living human brain. {sup 3}H-labeled -COC, WIN-2 and CFT were injected i.v. into mice and their specific binding in the CNS determined. Peak striatal/cerebellar (S/C) ratios were reached at 5 minutes post injection with -COC (1.56), at 45 minutes with {sup 3}H-WIN-2 (3.30) and 60 minutes with {sup 3}H-CFT (4.0). The specificity of in vivo binding of {sup 3}H-WIN-2 and {sup 3}H-CFT was tested by pre-injection of various drugs. Binding of {sup 3}H-WIN-2 and {sup 3}H-CFT was dose-dependently blocked by cold WIN-2 and CFT, and by dopamine uptake site inhibitors (mazindol, GBR 12,909, nomifensine), but not by (+)COC, paroxetine and desipramine. The data indicate that {sup 3}H-WIN-2 and {sup 3}H-CFT exhibit improved in vivo binding (higher S/C ratios, longer retention time at the -COC receptor/dopamine transporter) compared to -COC and support their testing in PET studies.

  9. A two-fold interpenetrating 3D metal-organic framework material constructed from helical chains linked via 4,4'-H{sub 2}bpz fragments

    SciTech Connect

    Xie Yiming; Zhao Zhenguo; Wu Xiaoyuan; Zhang Qisheng; Chen Lijuan; Wang Fei; Chen Shanci; Lu Canzhong

    2008-12-15

    A 3-connected dia-f-type metal-organic framework compound {l_brace}[Ag(L){sub 3/2}H{sub 2}PO{sub 4}]{r_brace}{sub n} (1) has been synthesized by self-assembly of 4,4'-H{sub 2}bpz (L=4,4'-H{sub 2}bpz=3,3',5,5'-tetramethyl-4,4'-bipyrazole) and Ag{sub 4}P{sub 2}O{sub 7} under hydrothermal conditions. It crystallizes in the tetragonal space group I4{sub 1}/acd with a=21.406(4) A, b=21.406(4) A, c=36.298(8) A, Z=32. X-ray single-crystal diffraction reveals that 1 has a three-dimensional framework with an unprecedented alternate left- and right-handed helices structure, featuring a non-uniform two-fold interpenetrated (4.14{sup 2}) net. Photoluminescent investigation reveals that the title compound displays interesting emissions in a wide region, which shows that the title compound may be a good potential candidate as a photoelectric material. - Graphical abstract: A 3-connected dia-f-type metal-organic framework compound [Ag(4,4'-bpz){sub 3/2}H{sub 2}PO{sub 4}] shows unprecedented alternating left- and right-handed helices structure, featuring a non-uniform two-fold interpenetrated (4.14{sup 2}) net.

  10. Sandwich SrTiO3/TiO2/H-Titanate nanofiber composite photocatalysts for efficient photocatalytic hydrogen evolution

    NASA Astrophysics Data System (ADS)

    Liu, Yuanxu; Wang, Zhonglei; Wang, Wendong; An, Xiaoqiang; Mi, Shiyang; Tang, Junwang; Huang, Weixin

    2014-10-01

    SrTiO3/TiO2/H-Titanate nanofiber composites were synthesized through facile thermal treatment of Sr(OH)2 and H-titanate nanofibers in an ethanol/water solution and their photocatalytic activities for H2 evolution from a methanol/water solution under simulated solar irradiation were evaluated. TiO2/H-titanate nanofiber composites were acquired without Sr(OH)2 addition. At low Sr/Ti molar ratios, SrTiO3/TiO2/H-titanate nanofiber composites form. SrTiO3 nanoparticles were found to selectively grow on the surface of TiO2 nanoparticles, forming a unique SrTiO3-TiO2-H-titanate sandwich heterojunction. Upon increasing the Sr/Ti molar ratio, the fraction of TiO2 in the resultant composites decreases and eventually SrTiO3/H-titanate nanofiber composites form. SrTiO3/TiO2/H-titanate nanofiber composites are significantly more photocatalytically active than SrTiO3/H-titanate nanofiber and TiO2/H-titanate nanofiber composites due to the mitigated charge recombination and the accumulation of photo-excited electrons on the photocatalytically active TiO2 component. These results demonstrate an effective strategy of multi-heterojunctions with both appropriately-aligned band structures and appropriately-arranged composite structures to fabricate efficient composite photocatalysts.

  11. Uptake and metabolism of (/sup 3/H)testosterone in the brain, pituitary gland and genital tract of the male cynomolgus monkey

    SciTech Connect

    Bonsall, R.W.; Rees, H.D.; Micheal, R.P.

    1986-03-01

    To study the mechanism by which testosterone restores the sexual potency of castrated cynomolgus monkeys, two males (body weights 5.2 and 5.3 kg) were castrated and, 3 days later, injected with 3 mCi (/sup 3/H)testosterone ((/sup 3/H)T) as an intravenous bolus. After 30 min, males were killed and brains and samples of other tissues were rapidly removed and placed on ice. Samples were dissected from the right halves of the brain and homogenized. Purified cell nuclei were prepared and ether extracts were analyzed by reverse-phase HPCL. Generally, unchanged (/sup 3/H)T was the major form of radioactivity in brain and pituitary gland, but in cell nuclei from hypothalamus, preoptic area and amygdala, a large proportion (34 - 61%) was in the form of (/sup 3/H)estradiol ((/sup 4/H)E/sub 2/). Little or no (/sup 3/H)dihydrotestosterone ((/sup 3/H)DHT) was detected in cell nuclei from any brain region or from pituitary gland. However, (/sup 3/H)DHT was the major form (61 - 95%) of radioactivity in cell nuclei from glans penis, prostrate and seminal vesicles. In autoradiograms of the left halves of the same brains, the percentage of cells that accumulated radioactivity in their nuclei was high in specific regions of the hypothalamus, preoptic areas and amygdala. The authors conclude that the peripheral actions of T are mediated via DHT, but its central actions are dependent on unchanged T or on E/sub 2/ formed locally by aromatization.

  12. Light microscopic autoradiographic localization of (/sup 3/H)pirenzepine and (/sup 3/H)(/sup -/)quinuclidinyl benzilate binding in human stellate ganglia

    SciTech Connect

    Yamamura, H.I.; Watson, M.; Wamsley, J.K.; Johnson, P.C.; Roeske, W.R.

    1984-08-13

    The LKB Ultrofilm method of autoradiography has been utilized to anatomically localize putative M/sub 1/ and M/sub 2/ muscarinic receptor subtypes in human stellate ganglia. Ten micron sections were labeled in vitro with either 1 nM of the classical antagonist (/sup 3/H)(/sup -/)quinuclidinyl benzilate ((/sup 3/H)(/sup -/)QNB) or 20 nM of the non-classical antagonist (/sup 3/H)pirenzepine ((/sup 3/H)PZ), using 1 ..mu..M atropine sulfate to define non-specific binding for both ligands. The results indicate that (/sup 3/H)(/sup -/)QNB and (/sup 3/H)PZ binding sites are distributed within the principal ganglion cells and nerve bundles.

  13. Oxalic acid mediated synthesis of WO{sub 3}.H{sub 2}O nanoplates and self-assembled nanoflowers under mild conditions

    SciTech Connect

    Li Linzhi; Zhao Jingzhe; Wang Yi; Li Yunling; Ma Dechong; Zhao Yan; Hou Shengnan; Hao Xinli

    2011-07-15

    Tungsten oxide hydrate (WO{sub 3}.H{sub 2}O) nanoplates and flower-like assemblies were successfully synthesized via a simple aqueous method. The effects of reaction parameters in solution on the preparation were studied. Nanoplates and nanoflowers can be selectively prepared by changing the amount of H{sub 2}C{sub 2}O{sub 4}. In-situ assembly of nanoplates to nanoflowers was also proposed for the formation of assembled nanostructures. In addition, the reaction time and temperature have important effects on the sizes of the as-obtained samples. Crystal structure, morphology, and composition of final nanostructures were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Optical properties of the synthesized samples and the growth mechanism were studied by UV-vis detection. Degradation experiments of Rhodamine B (RhB) were also performed on samples of nanoplates and nanoflowers under visible light illumination. Nanoflower sample exhibited preferable photocatalytic property to nanoplate sample. - Graphical abstract: The oxalic acid has a key role for the structure of WO{sub 3}.H{sub 2}O evolution from plates to flowers and the dehydration process of WO{sub 3}.2H{sub 2}O to WO{sub 3}.H{sub 2}O. Highlights: > Tungsten oxides hydrate was synthesized via a simple aqueous method. > The size of WO{sub 3}.H{sub 2}O was controlled by the reaction time and temperature. > The assembly of WO{sub 3}.H{sub 2}O nanoplates to nanoflowers was achieved with higher H{sub 2}C{sub 2}O{sub 4}/Na{sub 2}WO{sub 4} ratio. > Oxalic acid has a key role in the dehydration process of WO{sub 3}.2H{sub 2}O to WO{sub 3}.H{sub 2}O.

  14. Ethanol intake and sup 3 H-serotonin uptake II: A study in alcoholic patients using platelets sup 3 H-paroxetine binding

    SciTech Connect

    Daoust, M.; Boucly, P. ); Ernouf, D. ); Breton, P. ); Lhuintre, J.P.

    1991-01-01

    The kinetic parameters of {sup 3}H-paroxetine binding and {sup 3}H-serotonin uptake were studied in platelets of alcoholic patients. There was no difference between alcoholic and non alcoholic subjects in {sup 3}H-paroxetine binding. When binding and {sup 3}H-serotonin uptake were studied, in the same plasma of the same subjects, the Vmax of serotonin uptake was increased in alcoholics. The data confirm the involvement of serotonin uptake system in alcohol dependance and suggest that serotonin uptake and paroxetine binding sites may be regulated independently in this pathology.

  15. Binding of dexetimide and levetimide to [3H](+)pentazocine- and [3H]1,3-di(2-tolyl)guanidine-defined sigma recognition sites.

    PubMed

    DeHaven-Hudkins, D L; Hudkins, R L

    1991-01-01

    The potent antimuscarinic benzetimide and its resolved stereoisomers dexetimide and levetimide were tested for their affinities at sigma sites labelled by [3H](+)pentazocine or [3H]1,3-di(2-tolyl)guanidine. Levetimide was a potent and stereoselective inhibitor of [3H](+)pentazocine binding, with a Ki of 2.2 nM, while dexetimide was nine-fold less potent (Ki = 19 nM). Dexetimide and levetimide potently inhibited [3H]DTG binding although without stereoselectivity (Ki values of 65 and 103 nM, respectively). Levetimide may be a useful tool with which to investigate sigma recognition sites and sigma subtypes. PMID:1656155

  16. Meridional Variations of C2H2 and C2H6 in Jupiter's Atmosphere from Cassini CIRS Infrared Spectra

    NASA Technical Reports Server (NTRS)

    Nixon, C. A.; Achterberg, R. K.; Conrath, B. J.; Irwin, P. G. J.; Fouchet, T.; Parrish, P. D.; Romani, P. N.; Abbas, M.; LeClair, A.; Strobel, D.

    2004-01-01

    Hydrocarbons such as acetylene (C2H2) and ethane (C2H6) are important tracers in Jupiter's atmosphere, constraining our models of the chemical and dynamical processes. However, our knowledge of the vertical and meridional variations of their abundances has remained sparse. During the flyby of the Cassini spacecraft in December 2000, the Composite Infrared Spectrometer (CIRS) instrument was used to map the spatial variation of emissions from 10-1400 cm(sup -1) (1000-7 microns). In this paper we analyze a zonally-averaged set of CIRS spectra taken at the highest (0.5 cm(sup -1)) resolution, to infer atmospheric temperatures in the stratosphere at 0.5-20 mbar via the v4 band of CH4, and in the troposphere at 150-400 mbar, via the H2 absorption at 600-800 cm(sup -1). Simultaneously, we retrieve the abundances of C2H2 and C2H6 via the v5 and vg bands respectively. Tropospheric absorption and stratospheric emission are highly anti-correlated at the CIRS resolution, introducing a non-uniqueness into the retrievals, such that vertical gradient and column abundance cannot both be found without additional constraints. Assuming profile gradients from photochemical calculations, we show that the column abundance of C2H2 decreases sharply towards the poles by a factor approximately 4, while C2H6 is unchanged in the north and increasing in the south, by a factor approximately 1.8. An explanation for the meridional trends is proposed in terms of a combination of photochemistry and dynamics. Poleward, the decreasing UV flux is predicted to decrease the abundances of C2H2 and C2H6 by factors 2.7 and 3.5 respectively at a latitude 70 deg. However, the lifetime of C2H6 in the stratosphere (5 x 10(exp 9)) is much longer than the dynamical timescale for meridional motions inferred from SL-9 debris (5 x 10(exp 8 s)), and therefore the constant or rising abundance towards high latitudes likely indicates that meridional mixing dominates over photochemical effects. For C2H2, the opposite

  17. CFD Growth of 3C-SiC on 4H/6H Mesas

    NASA Technical Reports Server (NTRS)

    Neudeck, Philip G.; Trunek, Andrew J.; Spry, David J.; Powell, J. Anthony; Du, Hui; Skowronski, Marek; Huang, XianRong; Dudley, Michael

    2006-01-01

    This article describes growth and characterization of the highest quality reproducible 3C-SiC heteroepitaxial films ever reported. By properly nucleating 3C-SiC growth on top of perfectly on-axis (0001) 4H-SiC mesa surfaces completely free of atomic scale steps and extended defects, growth of 3C-SiC mesa heterofilms completely free of extended crystal defects can be achieved. In contrast, nucleation and growth of 3C-SiC mesa heterofilms on top of 4H-SiC mesas with atomic-scale steps always results in numerous observable dislocations threading through the 3C-SiC epilayer. High-resolution X-ray diffraction and transmission electron microscopy measurements indicate non-trivial in-plane lattice mismatch between the 3C and 4H layers. This mismatch is somewhat relieved in the step-free mesa case via misfit dislocations confined to the 3C/4H interfacial region without dislocations threading into the overlying 3C-SiC layer. These results indicate that the presence or absence of steps at the 3C/4H heteroepitaxial interface critically impacts the quality, defect structure, and relaxation mechanisms of single-crystal heteroepitaxial 3C-SiC films.

  18. Self-assembly of C4H-type hydrogenated graphene.

    PubMed

    Liu, Zilong; Xue, Qingzhong; Xing, Wei; Du, Yonggang; Han, Zhide

    2013-11-21

    We demonstrate by molecular dynamic (MD) simulations that patterned partially hydrogenated graphene (C4H) can self-assemble at room temperature. The main driving force of the self-assembly of C4H is due to the one-sided distribution of hydrogen and the corresponding asymmetric orientation of sp(3) bonding, there exists strong electrostatic repulsion between the relatively close H atoms. The simulations show that C4H can self-assemble into various carbon nanoscroll (CNS) structures, this is mainly controlled by its geometry (size and aspect ratio). And the carbon nanotube (CNT) is a good candidate to activate and guide C4H to form CNS, whose core size can be controlled. Meanwhile, a novel CNT/C4H core/shell composite nanostructure is also formed. The theoretical results shed important light on a feasible approach to fabricate high-quality CNS and other novel nanostructures including core/shell structures, which hold great potential applications in optics, optoelectronic devices, hydrogen storage, sensors, and energy storage in supercapacitors or batteries. PMID:24064528

  19. Existence of {sub {lambda}}{sub {lambda}}{sup 4}H: A variational Monte Carlo search

    SciTech Connect

    Shoeb, Mohammad

    2005-02-01

    A variational Monte Carlo (VMC) calculation for the binding energy B{sub {lambda}}{sub {lambda}} of the lightest hypernucleus {sub {lambda}}{sub {lambda}}{sup 4}H has been performed in the four-body {lambda}{lambda}pn model. A range of input {lambda}{lambda} potentials of moderate strength produce a particle-stable {sub {lambda}}{sub {lambda}}{sup 4}H for the simulated NSC97e and f {lambda}N potentials, whereas the phenomenological Minnesota {lambda}N potential needs a much stronger {lambda}{lambda} potential to bind. The VMC results for B{sub {lambda}}{sub {lambda}} agree with the prediction of the stochastic variational model but contradict the recent Faddeev-Yakubovsky calculation. As reported earlier, B{sub {lambda}}{sub {lambda}} is sensitive to the triplet {lambda}N channel for a given {lambda}{lambda} potential. The B{sub {lambda}}{sub {lambda}} of {sub {lambda}}{sub {lambda}}{sup 4}H in the three-body {lambda}{lambda}d cluster model is consistent with but slightly lower than the Faddeev calculation. The VMC method predicts a stable {sub {lambda}}{sub {lambda}}{sup 4}H system in both models and thus offers the possibility of identifying {sub {lambda}}{sub {lambda}}{sup 4}H in a future extension of E906 or of a related experiment at KEK, provided the simulated potentials are true representations of realistic Nijmegen potentials.

  20. CVD Growth of 3C-SiC on 4H/6H Mesas

    SciTech Connect

    Neudeck,P.; Trunek, A.; Spry, D.; Powell, J.; Du, H.; Skowronski, M.; Huang, X.; Dudley, M.

    2006-01-01

    This article describes growth and characterization of the highest quality reproducible 3C-SiC heteroepitaxial films ever reported. By properly nucleating 3C-SiC growth on top of perfectly on-axis (0001) 4H-SiC mesa surfaces completely free of atomic scale steps and extended defects, growth of 3C-SiC mesa heterofilms completely free of extended crystal defects can be achieved. In contrast, nucleation and growth of 3C-SiC mesa heterofilms on top of 4H-SiC mesas with atomic-scale steps always results in numerous observable dislocations threading through the 3C-SiC epilayer. High-resolution X-ray diffraction (HRXRD) and high resolution cross-sectional transmission electron microscopy (HRXTEM) measurements indicate non-trivial, in-plane, lattice mismatch between the 3C and 4H layers. This mismatch is somewhat relieved in the step-free mesa case via misfit dislocations confined to the 3C/4H interfacial region without dislocations threading into the overlying 3C-SiC layer. These results indicate that the presence or absence of steps at the 3C/4H heteroepitaxial interface critically impacts the quality, defect structure, and relaxation mechanisms of single-crystal heteroepitaxial 3C-SiC films.

  1. Effect of neutron irradiation on charge collection efficiency in 4H-SiC Schottky diode

    NASA Astrophysics Data System (ADS)

    Wu, Jian; Jiang, Yong; Lei, Jiarong; Fan, Xiaoqiang; Chen, Yu; Li, Meng; Zou, Dehui; Liu, Bo

    2014-01-01

    The charge collection efficiency (CCE) in 4H-SiC Schottky diode is studied as a function of neutron fluence. The 4H-SiC diode was irradiated with fast neutrons of a critical assembly in Nuclear Physics and Chemistry Institute and CCE for 3.5 MeV alpha particles was then measured as a function of the applied reverse bias. It was found from our experiment that an increase of neutron fluence led to a decrease of CCE. In particular, CCE of the diode was less than 1.3% at zero bias after an irradiation at 8.26×1014 n/cm2. A generalized Hecht's equation was employed to analyze CCE in neutron irradiated 4H-SiC diode. The calculations nicely fit the CCE of 4H-SiC diode irradiated at different neutron fluences. According to the calculated results, the extracted electron μτ product (μτ)e and hole μτ product (μτ)h of the irradiated 4H-SiC diode are found to decrease by increasing the neutron fluence.

  2. Potassium nickel(II) gallium phosphate hydrate, K[NiGa(2)(PO(4))(3)(H(2)O)(2)].

    PubMed

    Chippindale, Ann M; Sharma, Arun V; Hibble, Simon J

    2009-01-01

    The title compound, potassium nickel(II) digallium tris-(phosphate) dihydrate, K[NiGa(2)(PO(4))(3)(H(2)O)(2)], was synthesized hydro-thermally. The structure is constructed from distorted trans-NiO(4)(H(2)O)(2) octa-hedra linked through vertices and edges to GaO(5) trigonal bipyramids and PO(4) tetra-hedra, forming a three-dimensional framework of formula [NiGa(2)(PO(4))(3)(H(2)O)(2)](-). The K, Ni and one P atom lie on special positions (Wyckoff position 4e, site symmetry 2). There are two sets of channels within the framework, one running parallel to the [10] direction and the other parallel to [001]. These inter-sect, forming a three-dimensional pore network in which the water mol-ecules coordinated to the Ni atoms and the K(+) ions required to charge balance the framework reside. The K(+) ions lie in a highly distorted environment surrounded by ten O atoms, six of which are closer than 3.1Å. The coordinated water mol-ecules are within hydrogen-bonding distance to O atoms of bridging Ga-O-P groups. PMID:21583729

  3. sigma opiates and certain antipsychotic drugs mutually inhibit (+)-(/sup 3/H)SKF 10,047 and (/sup 3/H)haloperidol binding in guinea pig brain membranes

    SciTech Connect

    Tam, S.W.; Cook, L.

    1984-09-01

    The relationship between binding of antipsychotic drugs and sigma psychotomimetic opiates to binding sites for the sigma agonist (+)-(/sup 3/H)SKF 10,047 (N-allylnormetazocine) and to dopamine D/sub 2/ sites was investigated. In guinea pig brain membranes, (+)-(/sup 3/H)SKF 10,047 bound to single class of sites with a K/sub d/ of 4 x 10/sup -8/ M and a B/sub max/ of 333 fmol/mg of protein. This binding was different from ..mu.., kappa, or delta opiate receptor binding. It was inhibited by opiates that produce psychotomimetic activities but not by opiates that lack such activities. Some antipsychotic drugs inhibited (+)-(/sup 3/H)SKF 10,047 binding with high to moderate affinities in the following order of potency: haloperidol > perphenazine > fluphenazine > acetophenazine > trifluoperazine > molindone greater than or equal to pimozide greater than or equal to thioridazine greater than or equal to chlorpromazine greater than or equal to triflupromazine. However, there were other antipsychotic drugs such as spiperone and clozapine that showed low affinity for the (+)-(/sup 3/H)SKF 10,047 binding sites. Affinities of antipsychotic drugs for (+)-(/sup 3/H)SKF 10,047 binding sites did not correlate with those for (/sup 3/H)spiperone (dopamine D/sub 2/) sites. (/sup 3/H)-Haloperidol binding in whole brain membranes was also inhibited by the sigma opiates pentazocine, cyclazocine, and (+)-(/sup 3/H)SKF 10,047. In the striatum, about half of the saturable (/sup 3/H)haloperidol binding was to (/sup 3/H)spiperone (D/sub 2/) sites and the other half was to sites similar to (+)-(/sup 3/H)SKF 10,047 binding sites. 15 references, 4 figures, 1 table.

  4. DNA Mismatch Repair Interacts with CAF-1- and ASF1A-H3-H4-dependent Histone (H3-H4)2 Tetramer Deposition.

    PubMed

    Rodriges Blanko, Elena; Kadyrova, Lyudmila Y; Kadyrov, Farid A

    2016-04-22

    DNA mismatch repair (MMR) is required for the maintenance of genome stability and protection of humans from several types of cancer. Human MMR occurs in the chromatin environment, but little is known about the interactions between MMR and the chromatin environment. Previous research has suggested that MMR coincides with replication-coupled assembly of the newly synthesized DNA into nucleosomes. The first step in replication-coupled nucleosome assembly is CAF-1-dependent histone (H3-H4)2 tetramer deposition, a process that involves ASF1A-H3-H4 complex. In this work we used reconstituted human systems to investigate interactions between MMR and CAF-1- and ASF1A-H3-H4-dependent histone (H3-H4)2 tetramer deposition. We have found that MutSα inhibits CAF-1- and ASF1A-H3-H4-dependent packaging of a DNA mismatch into a tetrasome. This finding supports the idea that MMR occurs before the DNA mismatch is packaged into the tetrasome. Our experiments have also revealed that CAF-1- and ASF1A-H3-H4-dependent deposition of the histone (H3-H4)2 tetramers does not interfere with MMR reactions. In addition, we have established that unnecessary degradation of the discontinuous strand that takes place in both DNA polymerase δ (Pol δ)- and DNA polymerase ϵ (Pol ϵ)-dependent MMR reactions is suppressed by CAF-1- and ASF1A-H3-H4-dependent deposition of the histone (H3-H4)2 tetramers. These data suggest that CAF-1- and ASF1A-H3-H4-dependent deposition of the histone (H3-H4)2 tetramers is compatible with MMR and protects the discontinuous daughter strand from unnecessary degradation by MMR machinery.

  5. Nickel ohmic contacts of high-concentration P-implanted 4H-SiC

    NASA Astrophysics Data System (ADS)

    Chunjuan, Liu; Su, Liu; Jingjing, Feng; Rong, Wu

    2012-03-01

    Different-dose phosphorus ion implantation into 4H-SiC followed by high-temperature annealing was investigated. AlN/BN and graphite post-implantation annealing for ion-implanted SiC at 1650 °C for 30 min was conducted to electrically activate the implanted P+ ions. Ni contacts to the P+-implanted 4H-SiC layers were examined by transmission line model and Hall measurements fabricated on P-implanted (0001). The results indicated that a high-quality ohmic contact and specific contact resistivity of 1.30 × 10-6 Ω · cm2 was obtained for the P+-implanted 4H-SiC layers. The ρC values of the Ni-based implanted layers decreased with increasing P doping concentrations, and a weaker temperature dependence was observed for different samples in the 200-500 K temperature range.

  6. Synthesis, antifungal activity and docking study of 2-amino-4H-benzochromene-3-carbonitrile derivatives

    NASA Astrophysics Data System (ADS)

    Mirjalili, BiBi Fatemeh; Zamani, Leila; Zomorodian, Kamiar; Khabnadideh, Soghra; Haghighijoo, Zahra; Malakotikhah, Zahra; Ayatollahi Mousavi, Seyyed Amin; Khojasteh, Shaghayegh

    2016-07-01

    Pathogenic fungi are associated with diseases ranging from simple dermatosis to life-threatening infections, particularly in immunocompromised patients. During the past two decades, resistance to established antifungal drugs has increased dramatically and has made it crucial to identify novel antimicrobial compounds. Here, we selected 12 new compounds of 2-amino-4H-benzochromene-3-carbonitrile drivetives (C1-C12) for synthesis by using nano-TiCl4.SiO2 as efficient and green catalyst, then nine of synthetic compounds were evaluated against different species of fungi, positive gram and negative gram of bacteria. Standard and clinical strains of antibiotics sensitive and resistant fungi and bacteria were cultured in appropriate media. Biological activity of the 2-amino-4H-benzochromene-3-carbonitrile derivatives against fungi and bacteries were estimated by the broth micro-dilution method as recommended by clinical and laboratory standard institute (CLSI). In addition minimal fangicidal and bactericial concenteration of the compounds were also determined. Considering our results showed that compound 2-amino-4-(4-methyl benzoate)-4H-benzo[f]chromen-3-carbonitrile (C9) had the most antifungal activity against Aspergillus clavatus, Candida glabarata, Candida dubliniensis, Candida albicans and Candida tropicalis at concentrations ranging from 8 to ≤128 μg/mL. Also compounds 2-amino-4-(3,4-dimethoxyphenyl)-4H-benzo[f]chromen-3-carbonitrile (C4) and 2-amino-4-(4-isopropylphenyl)-4H-benzo[f]chromen-3-carbonitrile (C3) had significant inhibitory activities against Epidermophyton floccosum following 2-amino-4-(4-methylbenzoate)-4H-benzo[f]chromen-3-carbonitrile (C9), respectively. Docking simulation was performed to insert compounds C3, C4 and C9 in to CYP51 active site to determine the probable binding model.

  7. Adult volunteerism in Pennsylvania 4-H natural resources programs for youth

    NASA Astrophysics Data System (ADS)

    Smith, Sanford Sherrick

    2001-07-01

    Pennsylvania's 4-H Youth Development Program relies on adult volunteers to reach youth with educational information and opportunities. Finding adults willing to do this volunteer work is challenging. This study looks at the current status of adult volunteerism with natural resources 4-H projects, and seeks to understand potential volunteers. The literature has much to offer in regards to general volunteer trends, management, motivations, and task preferences; however, few studies focus on volunteers in natural resources or environmental education. A telephone survey conducted with county 4-H agents revealed that only 3.2% of Pennsylvania's 4-H volunteers work with natural resources projects in 56 out of 67 counties, and that very few volunteers have any formal background in natural resources. Semi-structured interviews with 41 adult volunteers currently working with natural resources projects explored volunteer demographics, history, program design preferences, and ideas for seeking more volunteers. Findings from the telephone survey and the semi-structured interviews were used to generate a mail survey with large, random samples from three population groups: (1) 4-H Volunteers, (2) 4-H Parents, and (3) Natural Resources Professionals. Confidence with youth and subject matter, and adult willingness to volunteer was explored for each of the groups in relation to background, demographic characteristics, motivational needs, past and present volunteer activity, personal interests, and program design importance. Natural resources subject matter confidence was shown to be the most significant variable determining willingness to volunteer for all three groups. The variables that contributed to subject matter and youth confidence varied for each population. Key variables effecting willingness to volunteer included outdoor activity level, personal interest in natural resources, the need to fulfill feelings of social responsibility, and confidence with youth. Program design

  8. Anti-reflective nano- and micro-structures on 4H-SiC for photodiodes

    PubMed Central

    2011-01-01

    In this study, nano-scale honeycomb-shaped structures with anti-reflection properties were successfully formed on SiC. The surface of 4H-SiC wafer after a conventional photolithography process was etched by inductively coupled plasma. We demonstrate that the reflection characteristic of the fabricated photodiodes has significantly reduced by 55% compared with the reference devices. As a result, the optical response Iillumination/Idark of the 4H-SiC photodiodes were enhanced up to 178%, which can be ascribed primarily to the improved light trapping in the proposed nano-scale texturing. PMID:21711744

  9. Crystal and molecular structure of 2,4,4-trisubstituted 5-amino-4 H-imidazoles

    NASA Astrophysics Data System (ADS)

    Bellanato, J.; Avendaño, C.; Ramos, M. T.; Smith-Verdier, P.; Florencio, F.; Garcia-Blanco, S.

    Three 5-amino-4 H-imidazole derivatives 2(2-pyridyl) and 2-ethoxycarbonyl-4,4-pentamethylene-5-amino-and 2(2-pyridyl)-4,4-dimethyl-5(2-pyridylamino)4 H-imidazoles have been studied by i.r. and Raman spectroscopy. The crystal structure of one has been determined by X-ray diffraction. The tautomeric amino-imino equilibrium in different working conditions is also studied from spectroscopic data. The amino and the unconjugated imino forms are characterized.

  10. Estimation of negative ions in VHF SiH4/H2 plasma

    NASA Astrophysics Data System (ADS)

    Yamane, Tsukasa; Nakano, Shinya; Nakao, Sachiko; Takeuchi, Yoshiaki; Ichiki, Ryuta; Muta, Hiroshi; Uchino, Kiichiro; Kawai, Yoshinobu

    2014-11-01

    The characteristics of a VHF SiH4/H2 plasma (frequency: 60 MHz) at high pressures were examined as a function of silane concentration with a heated Langmuir probe. Anomalous reductions in electron saturation current were observed, suggesting the existence of many negative ions. An estimation of the concentration of negative ions was attempted using the sheath theory including negative ions. It was found that there exist H- and SiH3- ions as dominant negative ions in the VHF SiH4/H2 plasma. In addition, the measured floating potential agreed with the theoretical value.

  11. HCO, c-C3H and CF+: three new molecules in diffuse, translucent and "spiral-arm" clouds

    NASA Astrophysics Data System (ADS)

    Liszt, H. S.; Pety, J.; Gerin, M.; Lucas, R.

    2014-04-01

    Aims: We observe molecular absorption from diffuse clouds across the 3 mm receiver band. Methods: We used the EMIR receiver and FTS spectrometer at the IRAM 30 m telescope to construct absorption spectra toward bright extra-galactic background sources at 195 kHz spectral resolution (≈0.6 km s-1). We used the IRAM Plateau de Bure Interferometer to synthesize absorption spectra of H13CO+ and HCO toward the galactic HII region W49. Results: HCO, c-C3H and CF+ were detected toward the blazars BL Lac and 3C 111 having EB - V = 0.32 and 1.65 mag. HCO was observed in absorption from "spiral-arm" clouds in the galactic plane occulting W49. The complement of detectable molecular species in the 85-110 GHz absorption spectrum of diffuse/translucent gas is now fully determined at rms noise level δτ ≈ 0.002 at EB - V = 0.32 mag (AV = 1 mag) and δτ/EB - V≈ 0.003 mag-1 overall. Conclusions: As with OH, HCO+ and C2H, the relative abundance of c-C3H varies little between diffuse and dense molecular gas, with N(c-C3H)/N(o-c-C3H2) ≈ 0.1. We find N(CF+)/N(H13CO+) ≈ 5, N(CF+)/N(C2H) ≈ 0.005-0.01 and because N(CF+) increases with EB - V and with the column densities of other molecules we infer that fluorine remains in the gas phase as HF well beyond AV = 1 mag. We find N(HCO)/N(H13CO+) = 16 toward BL Lac, 3C 111 and the 40 km s-1 spiral arm cloud toward W49, implying X(HCO) ≈10-9, about 10 times higher than in dark clouds. The behaviour of HCO is consistent with previous suggestions that it forms from C+ and H2, even when AV is well above 1 mag. The survey can be used to place useful upper limits on some species, for instance N(H2CO)/N(H2CS) > 32 toward 3C 111, compared to 7 toward TMC-1, confirming the possibility of a gas phase formation route to H2CO. In general, however, the hunt for new species will probably be more fruitful at cm- and sub-mm wavelengths for the near future.

  12. Effect of hemoglobin on the uptake of /sup 3/H-norepinephrine and /sup 3/H-choline chloride into porcine cerebral arteries

    SciTech Connect

    Linnik, M.D.; Lee, T.J.F.

    1986-03-01

    Prolonged constriction of cerebral arteries often follows subarachnoid hemorrhage (SAH). SAH exposes hemoglobin (Hb) to cerebral arteries and Hb has been demonstrated to induce vasoconstriction as well as alter cerebrovascular neurogenic response characteristics. The effect of Hb on uptake of /sup 3/H-norepinephrine (/sup 3/H-NE) and /sup 3/H-choline chloride (/sup 3/H-ChCl) into porcine cerebral arteries was therefore examined. 0.5 to 50 ..mu..M porcine Hb caused a dose-dependent inhibition of /sup 3/H-NE uptake into the anterior (ANT), internal carotid (IC) and middle cerebral (MC) arteries of the pig. IC/sub 50/ values for uptake inhibition were: ANT, 31 ..mu..M; IC, 34 ..mu..M; MC, 37 ..mu..M. Porcine serum albumin (PSA) in the same concentration range also caused a decrease in /sup 3/H-NE uptake. An examination of protein-ligand interactions using column chromatography demonstrated binding of /sup 3/H-NE by both Hb and PSA. This protein binding may be responsible for part of the uptake inhibition. Hb and PSA had little effect on /sup 3/H-ChCl uptake into these arteries.

  13. Temperature dependent product yields for the spin forbidden singlet channel of the C(3P) + C2H2 reaction

    NASA Astrophysics Data System (ADS)

    Hickson, Kevin M.; Loison, Jean-Christophe; Wakelam, Valentine

    2016-08-01

    The atomic hydrogen formation channels of the C + C2H2 reaction have been investigated using a continuous supersonic flow reactor over the 52-296 K temperature range. H-atoms were detected directly at 121.567 nm by vacuum ultraviolet laser induced fluorescence. Absolute H-atom yields were determined by comparison with the H-atom signal generated by the C + C2H4 reaction. The product yields agree with earlier crossed beam experiments employing universal detection methods. Incorporating these branching ratios in a gas-grain model of dense interstellar clouds increases the c-C3H abundance. This reaction is a minor source of C3-containing molecules in the present simulations.

  14. Managing for Motivation: Herzberg's Motivation-Hygiene Theory and Its Application to 4-H Leadership. National Intern Report.

    ERIC Educational Resources Information Center

    Freeman, Walter J.

    A study examined the organizational factors contributing to the motivation of 4-H volunteer leaders. A modified form of Herzberg's Motivation-Hygiene Theory served as the research design of the study. A total of 149 4-H leaders were interviewed regarding thirteen job factors: recognition; personal growth; relationships with other 4-H leaders,…

  15. Maine 4-H Afterschool Academy--A Professional Development Opportunity for Out-of-School-Time Providers

    ERIC Educational Resources Information Center

    Lobley, Jennifer; Ouellette, Kristy L.

    2013-01-01

    The Maine 4-H Afterschool Academy trained 369 after-school and out of school time providers in 2011. This easy-to-adapt professional development opportunity used blended learning, a combination of in-person and Web-based opportunities. Providers successfully learned concepts and practical knowledge regarding 4-H, specifically 4-H Science. In…

  16. Current Practices for Training Staff to Accommodate Youth with Special Health Care Needs in the 4-H Camp Setting

    ERIC Educational Resources Information Center

    Mouton, Lauren; Bruce, Jacklyn

    2013-01-01

    The theory of inclusion is the foundation for the study reported here; inclusion is a focus not only of formal education, but also of nonformal educational settings such as 4-H. Ideally, 4-H camps are designed to serve youth of all backgrounds and abilities. By accommodating youth with special health care needs, 4-H camps are effectively meeting…

  17. E-Learning for 4-H Volunteers: Who Uses It, and What Can We Learn from Them?

    ERIC Educational Resources Information Center

    Ouellette, Kristy L.; Lesmeister, Marilyn K.; Lobley, Jennifer; Gross, Kerry M.

    2014-01-01

    Orienting and training 4-H volunteers are critical to individuals and the organization. The two-part study reported here re-establishes the profile of the 4-H volunteer and evaluates both the format and content of e-Learning for 4-H Volunteers modules launched in 2006. Volunteers from seven states perceived that online modules made learning more…

  18. Meridional Variations of C2H2 and C2H6 in Jupiter's Atmosphere from Cassini CIRS Infrared Spectra

    NASA Technical Reports Server (NTRS)

    Nixon, C. A.; Achterberg, R. K.; Conrath, B. J.; Irwin, P. G. J.; Fouchet, T.; Parrish, P. D.; Abbas, M.; LeClaire, A.; Romani, P. N.; Simon-Miller, A. A.

    2004-01-01

    The abundances of hydrocarbons such as acetylene (C2H2) and ethane (C2H6) in Jupiter's atmosphere are important physical quantities, constraining our models of the chemical and dynamical processes. However, our knowledge of these quantities and their vertical and latitudinal variations has remained sparse. The flyby of the Cassini spacecraft with Jupiter at the end of 2000 provided an excellent opportunity to observe the infrared spectrum with the Composite Infrared Spectrometer (CIRS) instrument, mapping the spatial variation of emissions from 10-1400 cm-1. CIRS spectra taken at the highest resolution (0.5 cm-1) in early December 2000 have been analysed to infer atmospheric temperatures in the stratosphere at 0.5-20 mbar via the v4 of CH4, and in the troposphere at 100-400 mbar, via the hydrogen collision-induced continuum absorption at 600-800 cm. Simultaneously, we have searched for meridional abundance variations in C2H2 and C2H6 via the v5 and vg bands respectively. Tropospheric absorption and stratospheric emission are highly anti-correlated at the CIM resolution, introducing a non-uniqueness into the retrievals, which means that vertical gradient and column abundance cannot be simultaneously found without additional constraints. If we assume the profile shapes from photochemical model calculations, we show that the column abundance of C2H2 must decrease sharply towards the poles, while C2H6 is constant or slightly increasing. The relevance of these results to current photochemical and dynamical knowledge of Jupiter's atmosphere is discussed.

  19. Evaluation of an electrochemical N2/H2 gas separator

    NASA Technical Reports Server (NTRS)

    Marshall, R. D.; Wynveen, R. A.; Carlson, J. N.

    1973-01-01

    A program was successfully completed to evaluate an electrochemical nitrogen/hydrogen (N2/H2) separator for use in a spacecraft nitrogen (N2) generator. Based on the technical data obtained a N2/H2 separator subsystem consisting of an organic polymer gas permeator first stage and an electrochemical second and third stage was estimated to have the lowest total spared equivalent weight, 257 kg (566 lb), for a 15 lb/day N2 generation rate. A pre-design analysis of the electrochemical N2/H2 separator revealed that its use as a first stage resulted in too high a power requirement to be competitive with the organic polymer membrane and the palladium-silver membrane separation methods. As a result, program emphasis was placed on evaluating the electrochemical. A parametric test program characterized cell performance and established second- and third-stage electrochemical N2/H2 separator operating conditions. A design verification test was completed on the second and third stages. The second stage was then successfully endurance tested for 200 hours.

  20. Seven 3-methylidene-1H-indol-2(3H)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib.

    PubMed

    Spencer, John; Chowdhry, Babur Z; Hamid, Samiyah; Mendham, Andrew P; Male, Louise; Coles, Simon J; Hursthouse, Michael B

    2010-02-01

    The solid-state structures of a series of seven substituted 3-methylidene-1H-indol-2(3H)-one derivatives have been determined by single-crystal X-ray diffraction and are compared in detail. Six of the structures {(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2(3H)-one, C(13)H(10)N(2)O, (2a); (3Z)-3-(2-thienylmethylidene)-1H-indol-2(3H)-one, C(13)H(9)NOS, (2b); (3E)-3-(2-furylmethylidene)-1H-indol-2(3H)-one monohydrate, C(13)H(9)NO(2).H(2)O, (3a); 3-(1-methylethylidene)-1H-indol-2(3H)-one, C(11)H(11)NO, (4a); 3-cyclohexylidene-1H-indol-2(3H)-one, C(14)H(15)NO, (4c); and spiro[1,3-dioxane-2,3'-indolin]-2'-one, C(11)H(11)NO(3), (5)} display, as expected, intermolecular hydrogen bonding (N-H...O=C) between the 1H-indol-2(3H)-one units. However, methyl 3-(1-methylethylidene)-2-oxo-2,3-dihydro-1H-indole-1-carboxylate, C(13)H(13)NO(3), (4b), a carbamate analogue of (4a) lacking an N-H bond, displays no intermolecular hydrogen bonding. The structure of (4a) contains three molecules in the asymmetric unit, while (4b) and (4c) both contain two independent molecules. PMID:20124685

  1. Middle School Dropout? Enrollment Trends in the California 4-H Youth Development Program

    ERIC Educational Resources Information Center

    Russell, Stephen T.; Heck, Katherine E.

    2008-01-01

    There is a widespread belief that youth drop out of youth development programs during the middle school years. Alternative explanations for the smaller number of adolescent program participants have yet to be explored. We examine age trends in program enrollment using data from over 221,000 youth enrolled in the California 4-H Youth Development…

  2. Promoting the Essential Elements of 4-H Youth Development through an Experiential Learning Model

    ERIC Educational Resources Information Center

    Meyer, Shelley; Jones, Kenneth R.

    2015-01-01

    The purpose of the project reported here was to apply Experiential Learning Theory to a context involving middle and high school aged youth while assessing the four concepts (belonging, mastery, independence, and generosity) in relation to the 4-H youth development essential elements. The conclusions of the project's evaluation suggest…

  3. Performance statistics of the FORTRAN 4 /H/ library for the IBM system/360

    NASA Technical Reports Server (NTRS)

    Clark, N. A.; Cody, W. J., Jr.; Hillstrom, K. E.; Thieleker, E. A.

    1969-01-01

    Test procedures and results for accuracy and timing tests of the basic IBM 360/50 FORTRAN 4 /H/ subroutine library are reported. The testing was undertaken to verify performance capability and as a prelude to providing some replacement routines of improved performance.

  4. A Partnership Model for Training Episodic Environmental Stewardship 4-H Volunteers

    ERIC Educational Resources Information Center

    Young, Jane Chin; Alexander, Janice; Smith, Martin H.

    2013-01-01

    The Marin Environmental Stewardship pilot project demonstrates the potential for a partnership model that brings together external and internal collaborators to recruit and train episodic 4-H volunteers to meet environmental education needs within a community. The clientele served by the volunteers trained through the project was at-risk, urban…

  5. Formation of low-temperature cirrus from H2SO4/H2O aerosol droplets.

    PubMed

    Bogdan, A; Molina, M J; Sassen, K; Kulmala, M

    2006-11-23

    We present experimental results obtained with a differential scanning calorimeter (DSC) that indicate the small ice particles in low-temperature cirrus clouds are not completely solid but rather coated with an unfrozen H2SO4/H2O overlayer. Our results provide a new look on the formation, development, and microphysical properties of low-temperature cirrus clouds.

  6. The Value of 4-H Judging Teams--Missouri Dairy Judging Alumni Survey

    ERIC Educational Resources Information Center

    Deaver, Karla; Probert, Ted

    2016-01-01

    Former Missouri 4-H Dairy Judging Team members responded to a survey about life skills development and the value of the judging team experience. Results of the survey indicate that judging team experience was highly influential in the development of communication, public speaking, and presentation skills. Respondents also indicated that judging…

  7. Children and their 4-H animal projects: How children use science in agricultural activity

    NASA Astrophysics Data System (ADS)

    Emo, Kenneth Roy

    Many children are introduced to science through informal educational programs. 4-H, an educational youth program, has a history of introducing scientific practices into agriculture. The purpose of this ethnographically-driven case study is to examine how science informs the actions of children raising market animals in a 4-H project. For two years the researcher collected data on 4-H children with market animal projects. Observations, interviews, and artifacts gathered are interpreted using the framework of activity theory. This study provides evidence for how the context of an activity system influences individual actions. Rules developed by the organization guide the actions of children to incorporate physical and psychological tools of science into their project to achieve the object: producing animals of proper weight and quality to be competitive in the county fair. Children learn the necessary actions from a community of practitioners through which expertise is distributed. Children's learning is demonstrated by the way their participation in their project changes with time, from receiving assistance from others to developing expertise in which they provide assistance to others. The strength of this educational experience is how children apply specific tools of science in ways that provide meaning and relevancy to their 4-H activity.

  8. Determining Directions for Change in a County 4-H Youth Program: The Role of Evaluation.

    ERIC Educational Resources Information Center

    Braverman, Marc; And Others

    This paper describes the evaluation of the 4-H youth program (serving ages 9 through 19) in Yolo County, California. The paper concentrates on the first component of the evaluation plan, a telephone survey of community needs and perceptions regarding services for youth which was conducted in November, 1984. The originally perceived questions…

  9. The Big E (Energy). 4-H Leader's Guide for Units 2 & 3.

    ERIC Educational Resources Information Center

    Caldwell, William; And Others

    This leader's guide is designed for units 2 and 3 of the Nebraska 4-H Energy Project. The goals of the project are to: (1) help young people understand energy problems related to life styles; (2) use energy resources carefully; (3) guide members in choosing their own energy alternatives; and (4) to enjoy together the challenges and creativity of…

  10. Participant Comfort with and Application of Inquiry-Based Learning: Results from 4-H Volunteer Training

    ERIC Educational Resources Information Center

    Haugen, Heidi; Stevenson, Anne; Meyer, Rebecca L.

    2016-01-01

    This article explores how a one-time training designed to support learning transfer affected 4-H volunteers' comfort levels with the training content and how comfort levels, in turn, affected the volunteers' application of tools and techniques learned during the training. Results of a follow-up survey suggest that the training participants…

  11. Diastereoselectivity in prebiotically relevant 5(4H)-oxazolone-mediated peptide couplings.

    PubMed

    Beaufils, Damien; Danger, Grégoire; Boiteau, Laurent; Rossi, Jean-Christophe; Pascal, Robert

    2014-03-21

    A stereochemical study of a potentially prebiotic peptide-forming reaction was carried out as the first part of a systems chemistry investigation of potential paths for symmetry breaking. Substantial diastereomeric excesses result from a fast epimerization of the 5(4H)-oxazolone intermediate in aqueous solution.

  12. A Beach and Dune Community. 4-H Marine Science. Member's Guide. Activity I. MSp 1.

    ERIC Educational Resources Information Center

    Auburn Univ., AL. Cooperative Extension Service.

    The investigation in this booklet is designed to provide 4-H members with opportunities to identify common plants and animals found on beaches and sand dunes and to determine the role of the plants and animals in this community. Learners are provided with a picture of a hypothetical beach and sand dune and a list of organisms (included in the…

  13. 4-H Tractor Operator Program Teaches Employability Skills and Safety to Youth

    ERIC Educational Resources Information Center

    Barrett, Debra K.

    2013-01-01

    For Michigan State University Extension, the Berrien County 4-H Tractor Operator Program has provided tractor safety education to teens for over 30 years. The certification training satisfies current requirements for operation of a 20 PTO HP or greater agricultural tractor by 14- and 15-year-old youth employed on property "not" owned,…

  14. Bio-Security Proficiencies Project for Beginning Producers in 4-H

    ERIC Educational Resources Information Center

    Smith, Martin H.; Meehan, Cheryl L.; Borba, John A.

    2014-01-01

    Improving bio-security practices among 4-H members who raise and show project animals is important. Bio-security measures can reduce the risk of disease spread and mitigate potential health and economic risks of disease outbreaks involving animal and zoonotic pathogens. Survey data provided statistical evidence that the Bio-Security Proficiencies…

  15. Stakeholder Satisfaction with a 4-H Extension Program for Five- to Eight-Year-Old Children.

    ERIC Educational Resources Information Center

    Scheer, Scott D.; Lafontaine, Kenneth R.

    1999-01-01

    A 4-H K-2 program was evaluated by 277 parents, 144 volunteers, and 44 extension agents. These stakeholders believed the program was beneficial and effective in improving children's life skills (self-esteem, making friends, making choices, learning and physical skills). (SK)

  16. 4-H Chickquest: Connecting Agri-Science with STEM Standards in Urban Schools

    ERIC Educational Resources Information Center

    Horton, Robert L.; Krieger, Jackie; Halasa, Katrina

    2013-01-01

    While young students are more capable of scientific inquiry than previously believed, elementary school teachers are often inexperienced in and lack confidence with teaching science. ChickQuest is a 4-H-created embryology curriculum for third-graders that meets Ohio state science standards, teaches STEM skills, and promotes ongoing interaction…

  17. 4-H Horticulture Project Activity Guides. Leader's Guide and Units 1-3.

    ERIC Educational Resources Information Center

    Illinois Univ., Urbana. Cooperative Extension Service.

    This document, concerning the 4-H horticulture project, includes a leader's guide and three youth activity guides. The leader's guide can be used to plan group project meetings that are both fun and educational. Activities can be adapted to various age groups. The leader's guide includes basic information for growing plants indoors and outdoors,…

  18. The Big E (Energy). 4-H Leader's Guide [for Unit 1].

    ERIC Educational Resources Information Center

    Caldwell, William; And Others

    This guide is designed for leaders of the Nebraska 4-H Energy Project. The goals of the project are to: (1) help young people understand energy problems related to life styles; (2) use energy resources carefully; (3) guide members in choosing their own energy alternatives; and (4) enjoy together the challenges and creativity of finding energy…

  19. Pennsylvania Youth in Action: 4-H Community Development. Adult Leader's Guide.

    ERIC Educational Resources Information Center

    Pennsylvania State Univ., University Park. Dept. of Agricultural and Extension Education.

    Designed to assist leaders in their roles as catalysts, advisors, and resource persons for the Pennsylvania Youth in Action 4-H Community Development program, the guide provides complementary educational, craft, and recreation suggestions to enhance student workbooks for three community development activity units. The first section focuses on the…

  20. County Clustering for the California 4-H Youth Development Program: Impacts and Lessons Learned

    ERIC Educational Resources Information Center

    Subramaniam, Aarti; Dasher, Harry Steve; Young, Jane Chin

    2012-01-01

    In response to budgetary constraints, a new staffing structure, the Pilot Leadership Plan, was proposed for California's 4-H Youth Development Program. County clusters were formed, each led by a coordinator. The plan was piloted for 2 years to provide insight into how county clustering could support Extension staff to increase and enhance…

  1. 4H-SiC photodiode model for DC SPICE circuit simulation

    NASA Astrophysics Data System (ADS)

    Kociubiński, Andrzej; Duk, Mariusz; Korona, Mateusz; Muzyka, Krzysztof

    2015-09-01

    Technology, characterization and in particularly modeling of 4H-SiC photodiode have been presented in this paper. Modeling and simulation has been performed using PSPICE environment. Comparison of simulation with real results for electrical characteristic (I-V) of circular SiC photodiodes has been also presented.

  2. Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H

    PubMed Central

    Xiao, Qiang; Dong, Ningning; Yao, Xue; Wu, Dang; Lu, Yanli; Mao, Fei; Zhu, Jin; Li, Jian; Huang, Jin; Chen, Aifang; Huang, Lu; Wang, Xuehai; Yang, Guangxiao; He, Guangyuan; Xu, Yong; Lu, Weiqiang

    2016-01-01

    Neutrophils play an important role in the occurrence and development of acute lung injury (ALI). Leukotriene B4 (LTB4), a hydrolysis product of epoxide leukotriene A4 (LTA4) catalyzed by LTA4 hydrolase (LTA4H), is one of the most potent chemoattractants for neutrophil. Bufexamac is a drug widely used as an anti-inflammatory agent on the skin, however, the mechanism of action is still not fully understood. In this study, we found bufexamac was capable of specifically inhibiting LTA4H enzymatic activity and revealed the mode of interaction of bufexamac and LTA4H using X-ray crystallography. Moreover, bufexamac significantly prevented the production of LTB4 in neutrophil and inhibited the fMLP-induced neutrophil migration through inhibition of LTA4H. Finally, bufexamac significantly attenuated lung inflammation as reflected by reduced LTB4 levels and weakened neutrophil infiltration in bronchoalveolar lavage fluid from a lipopolysaccharide-induced ALI mouse model. In summary, our study indicates that bufexamac acts as an inhibitor of LTB4 biosynthesis and may have potential clinical applications for the treatment of ALI. PMID:27126280

  3. Endocrine Aspects of 4H Leukodystrophy: A Case Report and Review of the Literature

    PubMed Central

    Billington, Emma; Bernard, Geneviève; Gibson, William; Corenblum, Bernard

    2015-01-01

    Introduction. 4H leukodystrophy is an autosomal recessive RNA polymerase III-related leukodystrophy, characterized by hypomyelination, with or without hypodontia (or other dental abnormalities) and hypogonadotropic hypogonadism. Case Presentation. We describe a 28-year-old female who presented with primary amenorrhea at the age of 19. She had a history of very mild neurological and dental abnormalities. She was found to have hypogonadotropic hypogonadism, and magnetic resonance imaging of the brain showed hypomyelination. The diagnosis of 4H leukodystrophy was made. She was subsequently found to have mutations in the POLR3B gene, which encodes the second largest subunit of RNA polymerase III. She wished to become pregnant and failed to respond to pulsatile GnRH but achieved normal follicular growth and ovulation with subcutaneous gonadotropin therapy. Discussion. Patients with 4H leukodystrophy may initially present with hypogonadotropic hypogonadism, particularly if neurological and dental manifestations are subtle. Making the diagnosis has important implications for prognosis and management. Progressive neurologic deterioration is expected, and progressive endocrine dysfunction may occur. Patients with 4H leukodystrophy should be counseled about disease progression and about this disease's autosomal recessive inheritance pattern. In those who wish to conceive, ovulation induction may be achieved with subcutaneous gonadotropin therapy, but pulsatile GnRH does not appear to be effective. PMID:26113998

  4. South Carolina's Model for Initiating Hispanic 4-H Clubs

    ERIC Educational Resources Information Center

    Lippert, Robert; Rembert, Kellye

    2012-01-01

    Over the past 5 years, through the initiative of several county Extension agents, South Carolina 4-H has established a successful model for bringing Hispanic youth into our program. We have found the most effective method is to initiate contact and establish partnerships with the principals and ESOL instructors in the local schools. Through this…

  5. Louisiana 4-H Seeds of Service School Gardens: A Descriptive View

    ERIC Educational Resources Information Center

    Cater, Melissa; Fox, Janet; Fletcher, Bobby Jr.

    2012-01-01

    Louisiana 4-H Seeds of Service School Gardens, a K-12 Learn and Serve Grant program, provides a descriptive view of how school gardens along with classroom instruction link curriculum to outdoor classrooms. The purpose of the process evaluation was to describe curriculum implementation fidelity, reach of the gardening program to participants, use…

  6. Possession, Transportation, and Use of Firearms by Older Youth in 4-H Shooting Sports Programs

    ERIC Educational Resources Information Center

    White, David J.; Williver, S. Todd

    2014-01-01

    Thirty years ago we would think nothing of driving to school with a jackknife in our pocket or rifle in the gun rack. Since then, the practices of possessing, transporting, and using firearms have been limited by laws, rules, and public perception. Despite restrictions on youth, the Youth Handgun Safety Act does afford 4-H shooting sports members…

  7. Cinnamic acid 4-hydroxylase mechanism-based inactivation by psoralen derivatives: cloning and characterization of a C4H from a psoralen producing plant-Ruta graveolens-exhibiting low sensitivity to psoralen inactivation.

    PubMed

    Gravot, Antoine; Larbat, Romain; Hehn, Alain; Lièvre, Karine; Gontier, Eric; Goergen, Jean Louis; Bourgaud, Frédéric

    2004-02-01

    Cinnamate 4-hydroxylase (C4H, EC 1.14.13.11) complete cDNA was cloned from the leaves of Ruta graveolens, a psoralen producing plant. The recombinant enzyme (classified CYP73A32) was expressed in Saccharomyces cerevisiae. Mechanism-based inactivation was investigated using various psoralen derivatives. Only psoralen and 8-methoxypsoralen were found to inactivate C4H. The inactivation was dependent on the presence of NADPH, time of pre-incubation, and inhibitor concentration. Inactivation stoichiometry was 0.9 (+/-0.2) for CYP73A1 and 1.1 (+/-0.2) for CYP73A32. SDS-PAGE analysis demonstrated that [3H]psoralen was irreversibly bound to the C4H apoprotein. K(i) and k(inact) for psoralen and 8-methoxypsoralen inactivation on the two C4H revealed a lower sensitivity for CYP73A32 compared to CYP73A1. Inactivation kinetics were also determined for CYP73A10, a C4H from another furocoumarin-producing plant, Petroselinum crispum. This enzyme was found to behave like CYP73A32, with a weak sensitivity to psoralen and 8-MOP inactivation. Cinnamic acid hydroxylation is a key step in the biosynthesis of phenylpropanoid compounds, psoralen derivatives included. Our results suggest a possible evolution of R. graveolens and P. crispum C4H that might tolerate substantial levels of psoralen derivatives in the cytoplasmic compartment without a depletive effect on C4H and the general phenylpropanoid metabolism.

  8. SPECTROSCOPIC CONSTANTS FOR {sup 13}C AND DEUTERIUM ISOTOPOLOGUES OF CYCLIC AND LINEAR C{sub 3}H{sub 3}{sup +}

    SciTech Connect

    Huang Xinchuan; Lee, Timothy J. E-mail: Timothy.J.Lee@nasa.gov

    2011-07-20

    Recently, we reported ab initio quartic force fields (QFFs) for the cyclic and linear forms of the C{sub 3}H{sub 3}{sup +} molecular cation, referred to as c-C{sub 3}H{sub 3}{sup +} and l-C{sub 3}H{sub 3}{sup +}. These were computed using high levels of theory. Specifically the singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, CCSD(T), was used in conjunction with extrapolation to the one-particle basis set limit, and corrections for scalar relativity and core correlation were included. In the present study, we use these QFFs to compute highly accurate fundamental vibrational frequencies and other spectroscopic constants for the c-{sup 13}CC{sub 2}H{sub 3}{sup +}, c-C{sub 3}H{sub 2}D{sup +}, c-{sup 13}CC{sub 2}H{sub 2}D{sup +} isotoplogues of c-C{sub 3}H{sub 3}{sup +}, and the H{sub 2}CCCD{sup +}, HDCCCH{sup +}, H{sub 2}{sup 13}CCCH{sup +}, H{sub 2}C{sup 13}CCH{sup +}, and H{sub 2}CC{sup 13}CH{sup +} isotopologues of l-C{sub 3}H{sub 3}{sup +}. Improvements in ab intitio methods have now made it possible to identify small molecules in an astronomical observation without the aid of high-resolution experimental data. We also report dipole moment values and show that the above-mentioned cyclic isotopologues have values of 0.094, 0.225, and 0.312 D, respectively, while the l-C{sub 3}H{sub 3}{sup +} isotopologues have values that range between 0.325 and 0.811 D. Thus, it is hoped that the highly accurate spectroscopic constants and data provided herein for the {sup 13}C and deuterium isotopologues of the cyclic and linear forms of C{sub 3}H{sub 3}{sup +} will enable their identification in astronomical observations from the Herschel Space Observatory, the Stratospheric Observatory for Infrared Astronomy, the Atacama Large Millimeter Array, and in the future, the James Webb Space Telescope.

  9. High efficiency 4H-SiC betavoltaic power sources using tritium radioisotopes

    NASA Astrophysics Data System (ADS)

    Thomas, Christopher; Portnoff, Samuel; Spencer, M. G.

    2016-01-01

    Realization of an 18.6% efficient 4H-silicon carbide (4H-SiC) large area betavoltaic power source using the radioisotope tritium is reported. A 200 nm 4H-SiC P+N junction is used to collect high-energy electrons. The electron source is a titanium tritide (TiH3x) foil, or an integrated titanium tritide region formed by the diffusion of tritium into titanium. The specific activity of the source is directly measured. Dark current measured under short circuit conditions was less than 6.1 pA/cm2. Samples measured with an external tritium foil produced an open circuit voltage of 2.09 V, short circuit current of 75.47 nA/cm2, fill factor of 0.86, and power efficiency of 18.6%. Samples measured with an integrated source produced power efficiencies of 12%. Simulations were done to determine the beta spectrum (modified by self absorption) exiting the source and the electron hole pair generation function in the 4H-SiC. The electron-hole pair generation function in 4H-SiC was modeled as a Gaussian distribution, and a closed form solution of the continuity equation was used to analyze the cell performance. The effective surface recombination velocity in our samples was found to be 105-106 cm/s. Our analysis demonstrated that the surface recombination dominates the performance of a tritium betavoltaic device but that using a thin P+N junction structure can mitigate some of the negative effects.

  10. Experimental Durability Testing of 4H SiC JFET Integrated Circuit Technology at 727 C

    NASA Technical Reports Server (NTRS)

    Spry, David; Neudeck, Phil; Chen, Liangyu; Chang, Carl; Lukco, Dorothy; Beheim, Glenn M

    2016-01-01

    We have reported SiC integrated circuits (IC's) with two levels of metal interconnect that have demonstrated prolonged operation for thousands of hours at their intended peak ambient operational temperature of 500 C [1, 2]. However, it is recognized that testing of semiconductor microelectronics at temperatures above their designed operating envelope is vital to qualification. Towards this end, we previously reported operation of a 4H-SiC JFET IC ring oscillator on an initial fast thermal ramp test through 727 C [3]. However, this thermal ramp was not ended until a peak temperature of 880 C (well beyond failure) was attained. Further experiments are necessary to better understand failure mechanisms and upper temperature limit of this extreme-temperature capable 4H-SiC IC technology. Here we report on additional experimental testing of custom-packaged 4H-SiC JFET IC devices at temperatures above 500 C. In one test, the temperature was ramped and then held at 727 C, and the devices were periodically measured until electrical failure was observed. A 4H-SiC JFET on this chip electrically functioned with little change for around 25 hours at 727 C before rapid increases in device resistance caused failure. In a second test, devices from our next generation 4H-SiC JFET ICs were ramped up and then held at 700 C (which is below the maximum deposition temperature of the dielectrics). Three ring oscillators functioned for 8 hours at this temperature before degradation. In a third experiment, an alternative die attach of gold paste and package lid was used, and logic circuit operation was demonstrated for 143.5 hours at 700 C.

  11. Rate constant measurement of the recombination reaction C[sub 3]H[sub 3] + C[sub 3]H[sub 3

    SciTech Connect

    Morter, C.L.; Farhat, S.K.; Adamson, J.D.; Glass, G.P.; Curl, R.F. )

    1994-07-14

    Using the technique of infrared kinetic absorption spectroscopy, the second-order rate constant for the recombination reaction of the propargyl radical (C[sub 3]H[sub 3] + C[sub 3]H[sub 3]) has been measured and found to have the value (1.2 [+-] 0.2) x 10[sup [minus]10] cm[sup 3] molecule[sup [minus]1] s[sup [minus]1] at 295 K. The radical was produced in a flow cell by excimer laser flash photolysis ([lambda] = 193 nm) of the precursors C[sub 3]H[sub 3]Cl or C[sub 3]H[sub 3]Br and detected using time-resolved IR absorption. Absolute concentrations of C[sub 3]H[sub 3] were determined by comparing the C[sub 3]H[sub 3] absorption intensity with that of the Br atom. This calibration scheme was checked by producing methyl radicals by photolysis of methyl bromide and comparing the rate constant for methyl recombination thus obtained with literature values. The quantum yield for HCl production from the photodissociation of C[sub 3]H[sub 3]Cl at 193 nm was determined to be 0.07 [+-] 0.01. 47 refs., 10 figs., 1 tab.

  12. Autoradiographic analysis of the in vivo distribution of 3H-imipramine and 3H-desipramine in brain: Comparison to in vitro binding patterns

    SciTech Connect

    Duncan, G.E.; Paul, I.A.; Fassberg, J.B.; Powell, K.R.; Stumpf, W.E.; Breese, G.R. )

    1991-03-01

    Using high resolution autoradiographic techniques, the distribution of radioactivity in forebrain and brainstem was assessed after 4 injection of 3H-impramine or 3H-desipramine. Results were compared with regional binding of the drugs to brain sections in vitro. Similar topographic binding of 3H-imipramine and 3H-desipramine was observed in vitro among brain regions, except in the paraventricular nucleus of the hypothalamus and locus coeruleus, where binding was greater for 3H-desipramine. For both 3H-desipramine and 3H-imipramine, some brain regions that exhibited high binding in vitro also showed high accumulation after in vivo injection. However, certain regions that contained high densities of binding sites for the antidepressant drugs as measured by in vitro binding showed very low accumulation of radioactivity after in vivo treatment. Such regions included the dentate gyrus of the hippocampus, layer 1 of piriform cortex, caudate-putamen, pontine and midbrain central gray, and cerebellar granular layer. Compared to in vitro binding of the drugs, the distribution of imipramine and desipramine in vivo appears more anatomically selective. For imipramine, primary sites of action in vivo, as indicated by the topographic distribution in brain, appear to be the locus coeruleus, hippocampus, lateral septal nucleus, and amygdala. For desipramine, the greatest accumulation in vivo was found in the locus coeruleus, paraventricular nucleus of the hypothalamus, and anterior thalamic nuclei.

  13. The infrared spectra of C2H4(+) and C2H3 trapped in solid neon.

    PubMed

    Jacox, Marilyn E; Thompson, Warren E

    2011-02-14

    When a mixture of ethylene in a large excess of neon is codeposited at 4.3 K with a beam of neon atoms that have been excited in a microwave discharge, two groups of product absorptions appear in the infrared spectrum of the deposit. Similar studies using C(2)H(4)-1-(13)C and C(2)D(4) aid in product identification. The first group of absorptions arises from a cation product which possesses two identical carbon atoms, giving the first infrared identification of two fundamentals of C(2)H(4)(+) and three of C(2)D(4)(+), as well as a tentative identification of ν(9) of C(2)H(4)(+). The positions of these absorptions are consistent with the results of density functional calculations and of earlier photoelectron studies. All of the members of the second group of product absorptions possess two inequivalent carbon atoms. They are assigned to the vinyl radical, C(2)H(3), and to C(2)D(3), in agreement with other recent infrared assignments for those species.

  14. Observations of CH4, C2H6, and C2H2 in the stratosphere of Jupiter.

    PubMed

    Sada, P V; Bjoraker, G L; Jennings, D E; McCabe, G H; Romani, P N

    1998-12-01

    We have performed high-resolution spectral observations at mid-infrared wavelengths of CH4 (8.14 micrometers), C2H6 (12.16 micrometers), and C2H2 (13.45 micrometers) on Jupiter. These emission features probe the stratosphere of the planet and provide information on the carbon-based photochemical processes taking place in that region of the atmosphere. The observations were performed using our cryogenic echelle spectrometer CELESTE, in conjunction with the McMath-Pierce 1.5-m solar telescope between November 1994 and February 1995. We used the methane observations to derive the temperature profile of the jovian atmosphere in the 1-10 mbar region of the stratosphere. This profile was then used in conjunction with height-dependent mixing ratios of each hydrocarbon to determine global abundances for ethane and acetylene. The resulting mixing ratios are 3.9(+1.9)(-1.3) x 10(-6) for C2H6 (5 mbar pressure level), and 2.3 +/- 0.5 x 10(-8) for C2H2 (8 mbar pressure level), where the quoted uncertainties are derived from model variations in the temperature profile which match the methane observation uncertainties. PMID:11878354

  15. Search for the isomers of C2H3NO and C2H3NS in the Interstellar Medium

    NASA Astrophysics Data System (ADS)

    Etim, Emmanuel; Chakrabarti, Sandip Kumar; Das, Ankan; Gorai, Prasanta; Arunan, Elangannan

    2016-07-01

    With about 40% of all the known interstellar and circumstellar molecules having their isomeric analogues as known astromolecules, isomerism remains one of the leading themes in interstellar chemistry. In this regard, the recent detection of methyl isocyanate (with a number of isomeric analogues) in the Sgr B2(N) giant molecular cloud opens a new window for the possible astronomical detection of other C_2H_3NO isomers. The present work looks at the possibility of detecting other isomers of methyl isocyanate by considering different factors such as thermodynamic stability of the different isomers with respect to the Energy, Stability and Abundance (ESA) relationship, effect of interstellar hydrogen bonding with respect to the formation these isomers on the surface of the interstellar dust grains, possible formation routes for these isomers, spectroscopic parameters for potential astromolecules among these isomers, chemical modeling among other studies. The same studies are repeated for the C_2H_3NS isomers which are the isoelectroninc analogues of the C_2H_3NO isomers taking into account the unique chemistry of S and O-containing interstellar molecular species. Among the C_2H_3NS isomers, methyl isothiocyanate remains the most potential candidate for astronomical observation.

  16. Human pharmacology of 3,4-methylenedioxymethamphetamine (MDMA, ecstasy) after repeated doses taken 4 h apart Human pharmacology of MDMA after repeated doses taken 4 h apart.

    PubMed

    Farré, Magí; Tomillero, Angels; Pérez-Mañá, Clara; Yubero, Samanta; Papaseit, Esther; Roset, Pere-Nolasc; Pujadas, Mitona; Torrens, Marta; Camí, Jordi; de la Torre, Rafael

    2015-10-01

    3,4-Methylenedioxymethamphetamine (MDMA, ecstasy) is a popular psychostimulant, frequently associated with multiple administrations over a short period of time. Repeated administration of MDMA in experimental settings induces tolerance and metabolic inhibition. The aim is to determine the acute pharmacological effects and pharmacokinetics resulting from two consecutive 100mg doses of MDMA separated by 4h. Ten male volunteers participated in a randomized, double-blind, crossover, placebo-controlled trial. The four conditions were placebo plus placebo, placebo plus MDMA, MDMA plus placebo, and MDMA plus MDMA. Outcome variables included pharmacological effects and pharmacokinetic parameters. After a second dose of MDMA, most effects were similar to those after a single dose, despite a doubling of MDMA concentrations (except for systolic blood pressure and reaction time). After repeated MDMA administration, a 2-fold increase was observed in MDMA plasma concentrations. For a simple dose accumulation MDMA and MDA concentrations were higher (+23.1% Cmax and +17.1% AUC for MDMA and +14.2% Cmax and +10.3% AUC for MDA) and HMMA and HMA concentrations lower (-43.3% Cmax and -39.9% AUC for HMMA and -33.2% Cmax and -35.1% AUC for HMA) than expected, probably related to MDMA metabolic autoinhibition. Although MDMA concentrations doubled after the second dose, most pharmacological effects were similar or slightly higher in comparison to the single administration, except for systolic blood pressure and reaction time which were greater than predicted. The pharmacokinetic-effects relationship suggests that when MDMA is administered at a 4h interval there exists a phenomenon of acute tolerance to its effects.

  17. Nicotinic binding in rat brain: autoradiographic comparison of (/sup 3/H)acetylcholine, (/sup 3/H)nicotine, and (/sup 125/I)-alpha-bungarotoxin

    SciTech Connect

    Clarke, P.B.; Schwartz, R.D.; Paul, S.M.; Pert, C.B.; Pert, A.

    1985-05-01

    Three radioligands have been commonly used to label putative nicotinic cholinoceptors in the mammalian central nervous system: the agonists (/sup 3/H)nicotine and (/sup 3/H)acetylcholine ((/sup 3/H)ACh--in the presence of atropine to block muscarinic receptors), and the snake venom extract, (/sup 125/I)-alpha-bungarotoxin((/sup 125/I)BTX), which acts as a nicotinic antagonist at the neuromuscular junction. Binding studies employing brain homogenates indicate that the regional distributions of both (/sup 3/H)nicotine and (/sup 3/H)ACh differ from that of (/sup 125/I)BTX. The possible relationship between brain sites bound by (/sup 3/H)nicotine and (/sup 3/H)ACh has not been examined directly. The authors have used the technique of autoradiography to produce detailed maps of (/sup 3/H)nicotine, (/sup 3/H)ACh, and (/sup 125/I)BTX labeling; near-adjacent tissue sections were compared at many levels of the rat brain. The maps of high affinity agonist labeling are strikingly concordant, with highest densities in the interpeduncular nucleus, most thalamic nuclei, superior colliculus, medial habenula, presubiculum, cerebral cortex (layers I and III/IV), and the substantia nigra pars compacta/ventral tegmental area. The pattern of (/sup 125/I)BTX binding is strikingly different, the only notable overlap with agonist binding being the cerebral cortex (layer I) and superior colliculus. (/sup 125/I)BTX binding is also dense in the inferior colliculus, cerebral cortex (layer VI), hypothalamus, and hippocampus, but is virtually absent in thalamus. Various lines of evidence suggest that the high affinity agonist-binding sites in brain correspond to nicotinic cholinergic receptors similar to those found at autonomic ganglia; BTX-binding sites may also serve as receptors for nicotine and are possibly related to neuromuscular nicotinic cholinoceptors.

  18. Estimate of recharge of a rising water table in semiarid Niger from 3H and 14C modeling.

    PubMed

    Favreau, Guillaume; Leduc, Christian; Marlin, Christelle; Dray, Martial; Taupin, Jean-Denis; Massault, Marc; Le, GalLaSalleCorinne; Babic, Milanka

    2002-01-01

    A hydrodynamic survey carried out in semiarid southwest Niger revealed an increase in the unconfined ground water reserves of approximately 10% over the last 50 years due to the clearing of native vegetation. Isotopic samplings (3H, 18O, 2H for water and 14C, 13C for the dissolved inorganic carbon) were performed on about 3500 km2 of this silty aquifer to characterize recharge. Stable isotope analyses confirmed the indirect recharge process that had already been shown by hydrodynamic surveys and suggested the tracers are exclusively of atmospheric origin. An analytical model that takes into account the long-term rise in the water table was used to interpret 3H and 14C contents in ground water. The natural, preclearing median annual renewal rate (i.e., recharge as a fraction of the saturated aquifer volume) lies between 0.04% and 0.06%. For representative characteristics of the aquifer (30 m of saturated thickness, porosity between 10% and 25%), this implies a recharge of between 1 and 5 mm/year, which is much lower than the estimates of 20 to 50 mm/year for recent years, obtained using hydrological and hydrodynamic methods and the same aquifer parameters. Our study, therefore, reveals that land clearing in semiarid Niger increased ground water recharge by about one order of magnitude.

  19. Refractive index and birefringence of 2H silicon carbide

    NASA Technical Reports Server (NTRS)

    Powell, J. A.

    1972-01-01

    The refractive indices of 2H SiC were measured over the wavelength range 435.8 to 650.9 nm by the method of minimum deviation. At the wavelength lambda = 546.1 nm, the ordinary index n sub 0 was 2.6480 and the extraordinary index n sub e was 2.7237. The estimated error (standard deviation) in the measured values is 0.0006 for n sub 0 and 0.0009 for n sub e. The experimental data were curve fitted to the Cauchy equation for the index of refraction as a function of wavelength. The birefringence of 2H SiC was found to vary from 0.0719 at lambda = 650.9 nm to 0.0846 at lambda = 435.8 nm.

  20. A Microporous Metal-Organic Framework with Lewis Basic Nitrogen Sites for High C2H2 Storage and Significantly Enhanced C2H2/CO2 Separation at Ambient Conditions.

    PubMed

    Wen, Hui-Min; Wang, Huizhen; Li, Bin; Cui, Yuanjing; Wang, Hailong; Qian, Guodong; Chen, Banglin

    2016-08-01

    A novel metal-organic framework (MOF), [Cu2L(H2O)2]·7DMF·4H2O [ZJU-40; H4L = 5,5'-(pyrazine-2,5-diyl)diisophthalic acid], with Lewis basic nitrogen sites has been constructed and structurally characterized. Owing to the combined features of high porosity, moderate pore sizes, and immobilized Lewis basic nitrogen sites, the activated ZJU-40a exhibits the second-highest gravimetric C2H2 uptake of 216 cm(3) g(-1) (at 298 K and 1 bar) among all of the reported MOFs so far. This value is not only much higher than that of the isoreticular NOTT-101a (184 cm(3) g(-1)), but also superior to those of two very promising MOFs, known as HKUST-1 (201 cm(3) g(-1)) and Co-MOF-74 (197 cm(3) g(-1)). Interestingly, the immobilized nitrogen sites in ZJU-40a have nearly no effect on the CO2 uptake, so ZJU-40a adsorbs a similar amount of CO2 (87 cm(3) g(-1)) compared with NOTT-101a (84 cm(3) g(-1)) at 298 K and 1 bar. As a result, ZJU-40a shows significantly enhanced adsorption selectivity for C2H2/CO2 separation (17-11.5) at ambient temperature compared to that of NOTT-101a (8-9), leading to a superior MOF material for highly selective C2H2/CO2 separation.