Science.gov

Sample records for 12n 12b-aktivatsionnogo detektirovaniya

  1. Coherent dissociation of relativistic {sup 12}N nuclei

    SciTech Connect

    Kattabekov, R. R.; Mamatkulov, K. Z.; Alikulov, S. S.; Artemenkov, D. A.; Bekmirzaev, R. N.; Bradnova, V.; Zarubin, P. I. Zarubina, I. G.; Kondratieva, N. V.; Kornegrutsa, N. K.; Krivenkov, D. O.; Malakhov, A. I.; Olimov, K.; Peresadko, N. G.; Polukhina, N. G.; Rukoyatkin, P. A.; Rusakova, V. V.; Stanoeva, R.; Kharlamov, S. P.

    2013-10-15

    The dissociation of relativistic {sup 12}N nuclei having a momentum of 2 GeV/c per nucleon and undergoing the most peripheral interactions in a track emulsion is studied. The picture of charged topology of product ensembles of relativistic fragments and special features of their angular distributions are presented.

  2. Determination of the astrophysical 12N(p,γ)13O reaction rate from the 2H(12N,13O)n reaction and its astrophysical implications

    NASA Astrophysics Data System (ADS)

    Guo, B.; Su, J.; Li, Z. H.; Wang, Y. B.; Yan, S. Q.; Li, Y. J.; Shu, N. C.; Han, Y. L.; Bai, X. X.; Chen, Y. S.; Liu, W. P.; Yamaguchi, H.; Binh, D. N.; Hashimoto, T.; Hayakawa, S.; Kahl, D.; Kubono, S.; He, J. J.; Hu, J.; Xu, S. W.; Iwasa, N.; Kume, N.; Li, Z. H.

    2013-01-01

    The evolution of massive stars with very low-metallicities depends critically on the amount of CNO nuclides which they produce. The 12N(p,γ)13O reaction is an important branching point in the rap processes, which are believed to be alternative paths to the slow 3α process for producing CNO seed nuclei and thus could change the fate of massive stars. In the present work, the angular distribution of the 2H(12N, 13O)n proton transfer reaction at Ec.m.=8.4 MeV has been measured for the first time. Based on the Johnson-Soper approach, the square of the asymptotic normalization coefficient (ANC) for the virtual decay of 13Og.s. → 12N+p was extracted to be 3.92±1.47 fm-1 from the measured angular distribution and utilized to compute the direct component in the 12N(p,γ)13O reaction. The direct astrophysical S factor at zero energy was then found to be 0.39±0.15 keV b. By considering the direct capture into the ground state of 13O, the resonant capture via the first excited state of 13O and their interference, we determined the total astrophysical S factors and rates of the 12N(p,γ)13O reaction. The new rate is two orders of magnitude slower than that from the REACLIB compilation. Our reaction network calculations with the present rate imply that 12N(p,γ)13O will only compete successfully with the β+ decay of 12N at higher (˜2 orders of magnitude) densities than initially predicted.

  3. Charge topology of the coherent dissociation of relativistic 11C and 12N nuclei

    NASA Astrophysics Data System (ADS)

    Artemenkov, D. A.; Bradnova, V.; Zaitsev, A. A.; Zarubin, P. I.; Zarubina, I. G.; Kattabekov, R. R.; Kornegrutsa, N. K.; Mamatkulov, K. Z.; Rukoyatkin, P. A.; Rusakova, V. V.; Stanoeva, R.

    2015-09-01

    The charge topology of coherent-dissociation events is presented for 11С and 12N nuclei of energy 1.2 GeV per nucleon bombarding nuclear track emulsions. This topology is compared with respective data for 7Be, 8,10B, 9,10C, and 14N nuclei.

  4. Charge topology of the coherent dissociation of relativistic {sup 11}C and {sup 12}N nuclei

    SciTech Connect

    Artemenkov, D. A.; Bradnova, V.; Zaitsev, A. A.; Zarubin, P. I. Zarubina, I. G.; Kattabekov, R. R.; Kornegrutsa, N. K.; Mamatkulov, K. Z.; Rukoyatkin, P. A.; Rusakova, V. V.; Stanoeva, R.

    2015-09-15

    The charge topology of coherent-dissociation events is presented for {sup 11}C and {sup 12}N nuclei of energy 1.2 GeV per nucleon bombarding nuclear track emulsions. This topology is compared with respective data for {sup 7}Be, {sup 8,10}B, {sup 9,10}C, and {sup 14}N nuclei.

  5. Methylamine adsorption and decomposition on B12N12 nanocage: A density functional theory study

    NASA Astrophysics Data System (ADS)

    Esrafili, Mehdi D.; Nurazar, Roghaye

    2014-08-01

    Density functional theory calculations are performed to investigate the adsorption and decomposition of methylamine (CH3NH2) on the surface of a B12N12 fullerene-like nanocage. Two adsorption types and two reaction channels are identified. It is found that the electrical conductivity of the nanocage can be modified upon the adsorption of CH3NH2. The pathways of CH3NH2 decomposition via bond scission of the Csbnd N and Nsbnd H bonds are examined. The results indicate that Nsbnd H bond scission is the most favorable pathway on the B12N12 surface. The side reaction that generates CH3 and NH2 fragments is endothermic by 15.6 kcal/mol with an energy-barrier height of 81.5 kcal/mol. For the CH3NH2 decomposition on the B12N12 surface, the rate-determining step appears to be as the following reaction: CH3NH → CH3N + H.

  6. Fe-DOPED Ga12N12 CLUSTERS: ELECTRONIC AND MAGNETIC PROPERTIES

    NASA Astrophysics Data System (ADS)

    Lu, Pengfei; Wu, Chengjie; Cong, Zixiang; Li, Yiluan; Zhang, Xianlong; Yu, Zhongyuan; Cao, Huawei

    2013-12-01

    In this paper, we have investigated the structural, electronic and magnetic properties of Ga12N12 cluster doped with monodoped and bidoped Fe atoms within the density functional theory (DFT). Substitutional, exohedral and endohedral doping are considered. It is observed that both monodoped and bidoped clusters tend to be in exohedral doping. Mulliken population analysis is performed to obtain the charge transfer and magnetic moment. The magnetic moment is mainly derived from 3d orbitals of Fe atom for all isomers, while the magnetic properties would rely on the Fe-Fe distance.

  7. Levels in 12N via the 14N (p , t ) reaction using the JENSA gas-jet target

    NASA Astrophysics Data System (ADS)

    Chipps, K. A.; Pain, S. D.; Greife, U.; Kozub, R. L.; Bardayan, D. W.; Blackmon, J. C.; Kontos, A.; Linhardt, L. E.; Matos, M.; Pittman, S. T.; Sachs, A.; Schatz, H.; Schmitt, K. T.; Smith, M. S.; Thompson, P.; Jensa Collaboration

    2015-09-01

    As one of a series of physics cases to demonstrate the unique benefit of the new Jet Experiments in Nuclear Structure and Astrophysics (JENSA) gas-jet target for enabling next-generation transfer reaction studies, the 14N (p , t )12N reaction was studied for the first time, using a pure jet of nitrogen, in an attempt to resolve conflicting information on the structure of 12N . A potentially new level at 4.561-MeV excitation energy in 12N was found.

  8. Theoretical assessment of the electro-optical features of the group III nitrides (B12N12, Al12N12 and Ga12N12) and group IV carbides (C24, Si12C12 and Ge12C12) nanoclusters encapsulated with alkali metals (Li, Na and K)

    NASA Astrophysics Data System (ADS)

    Tahmasebi, Elham; Shakerzadeh, Ehsan; Biglari, Zeinab

    2016-02-01

    Density functional theory (DFT) calculations have been carried out to study the influence of alkali metals (Li, Na and K) encapsulation within the group III nitrides (B12N12, Al12N12 and Ga12N12) and the group IV carbides (C24, Si12C12and Ge12C12) nanoclusters. The encapsulation of Li, Na and K atoms is found to narrow the HOMO-LUMO gaps of the considered clusters. The electronic properties of these clusters, especially the group III nitrides nanoclusters, are strongly sensitive to interaction with the alkali metals. Moreover it is observed that the encapsulation of alkali metals enhances the first hyperpolarizabilities of B12N12 nanocluster. Surprisingly, due to the alkali metals encapsulation within B12N12 nanocluster, the first hyperpolarizability values are remarkably increased to 8505.49 and 122,503.76 a.u. for Na@B12N12 and K@B12N12, respectively. Also the TD-DFT calculations at both CAM-B3LYP/6-311+G(d) and PBE0/6-311+G(d) levels of theory are also performed to investigate the origin of first hyperpolarizabilities.

  9. Study of the levels in 12N using the 14N(p,t) reaction with JENSA

    NASA Astrophysics Data System (ADS)

    Chipps, K. A.; Greife, U.; Bardayan, D. W.; Blackmon, J. C.; Linhardt, L. E.; Kontos, A.; Schatz, H.; Kozub, R. L.; Matos, M.; Pain, S. D.; Smith, M. S.; Pittman, S. T.; Sachs, A.; Schmitt, K. T.; Thompson, P.; Jensa Collaboration

    2014-09-01

    Based on consideration of the isobaric analogues 12B and 12C, the experimental information on 12N is incomplete, with a number of inconsistencies between the compilations and the results of individual studies. As one of a series of commissioning physics measurements to demonstrate the benefit of the new Jet Experiments in Nuclear Structure and Astrophysics (JENSA) gas jet target for enabling next-generation transfer reaction studies, the 14N(p,t)12N reaction was studied using a pure 300 psig jet of nitrogen, in order to help elucidate the structure of 12N. The experiment and results will be discussed. Based on consideration of the isobaric analogues 12B and 12C, the experimental information on 12N is incomplete, with a number of inconsistencies between the compilations and the results of individual studies. As one of a series of commissioning physics measurements to demonstrate the benefit of the new Jet Experiments in Nuclear Structure and Astrophysics (JENSA) gas jet target for enabling next-generation transfer reaction studies, the 14N(p,t)12N reaction was studied using a pure 300 psig jet of nitrogen, in order to help elucidate the structure of 12N. The experiment and results will be discussed. Research supported by the US Department of Energy Office of Science.

  10. Silicon-doping makes the B12N12 insulator to an n or p-semiconductor

    NASA Astrophysics Data System (ADS)

    Baei, Mohammad T.; Hashemian, Saeedeh; Yourdkhani, Sirous

    2013-08-01

    Density functional theory (DFT) calculations were performed to investigate the electronic and structural properties of pristine and Si-doped B12N12 fullerene in SiB and SiN models in order to evaluate the influence of Si doping on B12N12 fullerene. The optimized structures, structural parameters, dipole moments, binding energies, energy gaps, Fermi level energies (EFL), work function (Φ), and chemical shifts have been evaluated for the pristine and two Si-doped B12N12 fullerene structures. It was found that the values of energy gap and work function of the SiB and SiN models are decreased, so that the B12N12 insulator converts to an n or p-semiconductor in the SiB and SiN models. Also, a better value of binding energy was obtained for the SiB model in comparison with the SiN model. The evaluation of chemical shifts indicated that the doped Si atom significantly influence on the chemical shifts of the B12N12 fullerene, especially in the SiN model. The doped Si atom could employ an electric field on the B and N atoms of Si-doped B12N12 structures, so that their chemical shifts go to lower fields.

  11. Synthesis and characterization of Ba3Si6O12N2:Eu(2+) phosphor.

    PubMed

    Fartode, S A; Dhoble, S J

    2016-02-01

    Eu(2+)-doped Ba3Si6O12N2 phosphors were prepared successfully via a modified solid-state diffusion method. The phosphors were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and photoluminescence measurements. These phosphors were effectively excited at 355 nm and an intense emission peaking in the range 480 nm to 525 nm in the blue region was observed. The optimized dopant concentration was determined to be 1 mol% of Eu(2+) ion. The colour coordinates for phosphor were found to be (0.196, 0.326) in the blue region. This phosphor may find application for near-ultraviolet (NUV) excited lamp phosphors. The thermoluminescence study shows the complex glow curve. Trapping parameters (activation energy and frequency factor) were calculated for individual deconvoluted peaks by Chen's peak shape method, the initial rise method and the whole glow peak method. PMID:26224417

  12. Study of the 11C(p,gamma) reaction via the indirect d(11C,12N)ntransfer reaction

    SciTech Connect

    Lee, Dongwon; Powell, James; Perajarvi, Kari; Guo, Fanqing; Moltz, Dennis; Cerny, Joseph

    2008-01-07

    The {sup 11}C(p,{gamma}){sup 12}N reaction is expected to be an important branch point in supermassive low-metallicity stars because it could produce CNO seed nuclei before the traditional triple-alpha process turns on. In the present work, the d({sup 11}C, {sup 12}N)n transfer reaction was employed to evaluate this reaction using a radioactive ion beam of 150 MeV {sup 11}C with 6 x 10{sup 5} ions/s on target from the BEARS project at the 88-inch cyclotron at Lawrence Berkeley National Laboratory. Excellent agreement was obtained between the experimental cross sections ({theta}{sub c.m.} = 10.9{sup o} to 71.5{sup o}) and DWBA calculations. The asymptotic normalization coefficient was deduced to be (C{sub eff}{sup 12N}){sup 2} = (C{sub p1/2}{sup 12N}){sup 2} + (C{sub p3/2}{sup 12N}){sup 2} = 1.83 {+-} 0.27 fm{sup -1}.

  13. Lusztig symmetries and Poincare-Birkhoff-Witt basis for wU{sub r,s}{sup d}(osp(1|2n))

    SciTech Connect

    Liu, Junli; Yang, Shilin

    2013-12-15

    We investigate a new kind of two-parameter weak quantized superalgebra wU{sub r,s}{sup d}(osp(1|2n)), which is a weak Hopf superalgebra. It has a homomorphic image which is isomorphic to the usual two-parameter quantum superalgebra U{sub r,s}(osp(1|2n)) of osp(1|2n). We also discuss the basis of wU{sub r,s}{sup d}(osp(1|2n)) by Lusztig's symmetries.

  14. Transfer reactions with JENSA: study of the levels in 12N using 14N(p,t)

    NASA Astrophysics Data System (ADS)

    Chipps, K. A.; Jensa Collaboration

    2015-10-01

    The Jet Experiments in Nuclear Structure and Astrophysics (JENSA) gas jet target, recently recommissioned in the ReA3 facility at the NSCL, will provide a state-of-the-art, dense, localized, and pure target of light, gaseous elements for various reaction studies. As one of a series of commissioning physics measurements to demonstrate the benefit of the new Jet Experiments in Nuclear Structure and Astrophysics (JENSA) gas jet target for enabling next-generation transfer reaction studies, the 14N(p,t)12N reaction was studied using a pure 300 psig jet of nitrogen, in order to help elucidate the structure of 12N. The experiment and lessons learned for future gas jet transfer reaction measurements will be discussed. Research supported by the U. S. Department of Energy Office of Science and NSF.

  15. Precise Branching Ratios to Unbound 12C States from 12N and 12B (beta)-Decays

    SciTech Connect

    Hyldegaard, S; Forssen, C; Alcorta, M; Barker, F C; Bastin, B; Borge, M G; Boutami, R; Brandenburg, S; Buscher, J; Dendooven, P; Diget, C A; Van Duppen, P; Eronen, T; Fox, S; Fulton, B R; Fynbo, H U; Huikari, J; Huyse, M; Jeppesen, H B; Jokinen, A; Jonson, B; Jungmann, K; Kankainen, A; Kirsebom, O; Madurga, M; Moore, I; Navratil, P; Nilsson, T; Nyman, G; Onderwater, G G; Penttila, H; Perajarvi, K; Raabe, R; Riisager, K; Rinta-Antila, S; Rogachevskiy, A; Saastamoinen, A; Sohani, M; Tengblad, O; Traykov, E; Vary, J P; Wang, Y; Wilhelmsen, K; Wilschut, H W; Aysto, J

    2008-08-20

    Two complementary experimental techniques have been used to extract precise branching ratios to unbound states in {sup 12}C from {sup 12}N and {sup 12}B {beta}-decays. In the first the three {alpha}-particles emitted after {beta}-decay are measured in coincidence in separate detectors, while in the second method {sup 12}N and {sup 12}B are implanted in a detector and the summed energy of the three {alpha}-particles is measured directly. For the narrow states at 7.654 MeV (0{sup +}) and 12.71 MeV (1{sup +}) the resulting branching ratios are both smaller than previous measurements by a factor of {approx_equal} 2. The experimental results are compared to no-core shell model calculations with realistic interactions from chiral perturbation theory, and inclusion of three-nucleon forces is found to give improved agreement.

  16. Characterization of the alpha-1,2-N-acetylglucosaminyltransferase of Neisseria gonorrhoeae, a key control point in lipooligosaccharide biosynthesis.

    PubMed

    Wakarchuk, Warren; Schur, Melissa J; St Michael, Frank; Li, Jinjuan; Eichler, Eva; Whitfield, Dennis

    2004-06-01

    The biosynthesis of the lipooligosaccharide (LOS) in Neisseria meningitidis has a control point that regulates the extension of the alpha-chain on heptose (I) of the LOS. The gene that encodes the protein responsible for this control had been identified elsewhere, but the enzyme encoded by the gene was not characterized. We have now shown that this same control mechanism operates in the related species, Neisseria gonorrhoeae, using a gene knockout and subsequent characterization of the LOS species produced. We also cloned and expressed the enzyme from both of these pathogens. Using a synthetic acceptor substrate, we have shown unequivocally that the enzyme is an alpha-1,2-N-acetylglucosaminyltransferase. Experiments with both the core oligosaccharide and the synthetic acceptors suggests that the addition of the alpha-1,2-N-acetylglucosamine moiety on the heptose (II) residue precedes the addition of the ethanolamine phosphate at the O3 position on this heptose (II), and that in the absence of the alpha-1,2-N-acetylglucosamine moiety leads to the addition of an extra ethanolamine phosphate on the heptose (II) residue. Our data do not support the hypothesis that ethanolamine phosphate at O3 of heptose (II) is added and is then required for the addition of the N-acetylglucosamine at O2 by the LgtK enzyme. This enzyme represents a control point in the biosynthesis of the LOS of this pathogen and is a potential target for therapeutic intervention. PMID:15044393

  17. A Historical Evaluation of the U12n Tunnel, Nevada National Security Site, Nye County, Nevada Part 1

    SciTech Connect

    Drollinger, Harold; Jones, Robert C; Bullard, Thomas F; Ashbaugh, Laurence J; Griffin, Wayne R

    2011-06-01

    This report presents a historical evaluation of the U12n Tunnel on the Nevada National Security Site (NNSS) in southern Nevada. The work was conducted by the Desert Research Institute at the request of the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office and the U.S. Department of Defense, Defense Threat Reduction Agency (DTRA). The U12n Tunnel was one of a series of tunnels used for underground nuclear weapons effects tests in Rainier and Aqueduct Mesas. A total of 22 nuclear tests were conducted in the U12n Tunnel from 1967 to 1992. These tests include Midi Mist, Hudson Seal, Diana Mist, Misty North, Husky Ace, Ming Blade, Hybla Fair, Mighty Epic, Diablo Hawk, Miners Iron, Huron Landing, Diamond Ace, Mini Jade, Tomme/Midnight Zephyr, Misty Rain, Mill Yard, Diamond Beech, Middle Note, Misty Echo, Mineral Quarry, Randsburg, and Hunters Trophy. DTRA sponsored all tests except Tomme and Randsburg which were sponsored by the Lawrence Livermore National Laboratory. Midnight Zephyr, sponsored by DTRA, was an add on experiment to the Tomme test. Eleven high explosive tests were also conducted in the tunnel and included a Stemming Plan Test, the Pre-Mill Yard test, the two seismic Non-Proliferation Experiment tests, and seven Dipole Hail tests. The U12n Tunnel complex is composed of the portal and mesa areas, encompassing a total area of approximately 600 acres (240 hectares). Major modifications to the landscape have resulted from four principal activities. These are road construction and maintenance, mining activities related to development of the tunnel complex, site preparation for activities related to testing, and construction of retention ponds. A total of 202 cultural features were recorded for the portal and mesa areas. At the portal area, features relate to the mining, construction, testing, and general everyday operational support activities within the tunnel. These include concrete foundations for buildings, ventilation

  18. A Historical Evaluation of the U12n Tunnel, Nevada national Security Site, Nye County, Nevada Part 2 of 2

    SciTech Connect

    Drollinger, Harold; Jones, Robert C; Bullard, Thomas F; Ashbaugh, Laurence J; Griffin, Wayne R

    2011-06-01

    This report presents a historical evaluation of the U12n Tunnel on the Nevada National Security Site (NNSS) in southern Nevada. The work was conducted by the Desert Research Institute at the request of the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office and the U.S. Department of Defense, Defense Threat Reduction Agency (DTRA). The U12n Tunnel was one of a series of tunnels used for underground nuclear weapons effects tests in Rainier and Aqueduct Mesas. A total of 22 nuclear tests were conducted in the U12n Tunnel from 1967 to 1992. These tests include Midi Mist, Hudson Seal, Diana Mist, Misty North, Husky Ace, Ming Blade, Hybla Fair, Mighty Epic, Diablo Hawk, Miners Iron, Huron Landing, Diamond Ace, Mini Jade, Tomme/Midnight Zephyr, Misty Rain, Mill Yard, Diamond Beech, Middle Note, Misty Echo, Mineral Quarry, Randsburg, and Hunters Trophy. DTRA sponsored all tests except Tomme and Randsburg which were sponsored by the Lawrence Livermore National Laboratory. Midnight Zephyr, sponsored by DTRA, was an add on experiment to the Tomme test. Eleven high explosive tests were also conducted in the tunnel and included a Stemming Plan Test, the Pre-Mill Yard test, the two seismic Non-Proliferation Experiment tests, and seven Dipole Hail tests. The U12n Tunnel complex is composed of the portal and mesa areas, encompassing a total area of approximately 600 acres (240 hectares). Major modifications to the landscape have resulted from four principal activities. These are road construction and maintenance, mining activities related to development of the tunnel complex, site preparation for activities related to testing, and construction of retention ponds. A total of 202 cultural features were recorded for the portal and mesa areas. At the portal area, features relate to the mining, construction, testing, and general everyday operational support activities within the tunnel. These include concrete foundations for buildings, ventilation

  19. Diverging thermal expansion of the spin-ladder system (C5H12N)2CuBr4.

    PubMed

    Lorenz, T; Heyer, O; Garst, M; Anfuso, F; Rosch, A; Rüegg, Ch; Krämer, K

    2008-02-15

    We present high-resolution measurements of the c(*)-axis thermal expansion and magnetostriction of piperidinium copper bromide (C5H12N)2CuBr4. The experimental data at low temperatures are well accounted for by a two-leg spin-ladder Hamiltonian. The thermal expansion shows a complex behavior with various sign changes and approaches a 1/square root T divergence at the critical fields. All low-temperature features are semiquantitatively explained within a free-fermion model; full quantitative agreement is obtained with quantum Monte Carlo simulations. PMID:18352512

  20. X-ray Rietveld refinement of structure of Ba-deficient Ba3Si6O12N2:Eu phosphor

    NASA Astrophysics Data System (ADS)

    Moriga, Toshihiro; Fujigaki, Hiroshi; Ogita, Yuma; Muguruma, Issei; Bando, Fumika; Murai, Kei-Ichiro; Waterhouse, Geoffrey I. N.

    2015-03-01

    Green oxynitride phosphors Ba3Si6O12N2 were prepared with metallic ratio of Si/Ba = 3. It was found that the nonstoichiometric mixture at Si/Ba = 3 formed the Ba3Si6O12N2-type phase easier than the stoichiometric one at Si/Ba = 2 after it was fired at 1200°C for 5 h under a diluted hydrogen flow (5%H2-95%N2). The excess Si source led to a formation of SiO2 glass, which can act as a flux in case of formation of Ba3Si6O12N2.

  1. The cluster-assembled nanowires based on M12N12 (M = Al and Ga) clusters as potential gas sensors for CO, NO, and NO2 detection.

    PubMed

    Yong, Yongliang; Jiang, Huai; Li, Xiaohong; Lv, Shijie; Cao, Jingxiao

    2016-08-01

    The advances in cluster-assembled materials where clusters serve as building blocks have opened new opportunities to develop ever more sensitive gas sensors. Here, using density functional theory calculations, the structural and electronic properties of cluster-assembled nanowires based on M12N12 (M = Al and Ga) clusters and their application as gas sensors have been investigated. Our results show that the nanowires can be produced via the coalescence of stable M12N12 fullerene-like clusters. The M12N12-based nanowires have semiconducting electrical properties with direct energy gaps, and are particularly stable at room temperature for long enough to allow for their characterization and applications. Furthermore, we found that the CO, NO, and NO2 molecules are chemisorbed on the M12N12-based nanowires with reasonable adsorption energies and apparent charge transfer. The electronic properties of the M12N12-based nanowires present dramatic changes after the adsorption of the CO, NO, and NO2 molecules, especially their electric conductivity. However, the adsorption of NO2 on the Al12N12-based nanowire is too strong, indicating an impractical recovery time as NO2 sensors. In addition to this, due to reasonable adsorption energies, apparent charge transfer, change in the electric conductivity, and the short recovery time, the Al12N12-based nanowire should be a good CO and NO sensor with quick response as well as short recovery time, while the Ga12N12-based nanowire should be a promising gas sensor for CO, NO, and NO2 detection. PMID:27424739

  2. A DFT study on the formaldehyde (H2CO and (H2CO)2) monitoring using pristine B12N12 nanocluster

    NASA Astrophysics Data System (ADS)

    Shakerzadeh, Ehsan

    2016-04-01

    The interaction between formaldehyde monomer (H2CO) as well as dimer ((H2CO)2) and pristine B12N12 nanocluster is investigated at B3LYP/6-311++G(d,p) level of theory. It is found that in contrary to the pristine boron nitride nanotube and nanosheet, formaldehyde adsorption induce considerable variation in the electronic properties of the B12N12 nanocluster. Also it is shown that the pristine B12N12 cluster could adsorb up to four monomer and three dimer of formaldehyde molecules in which the HOMO-LUMO gap decreased about 38-55%. Since the conductivity of the B12N12 nanocluster changes by the adsorption of formaldehyde molecules, the presence of this toxic gas could be detected. The Bader theory of atoms in molecules (AIM) is also applied to analyze the interaction of formaldehyde with nanocluster. It is suggested pristine B12N12 nanocluster could be a promising candidate for detecting formaldehyde molecule. The results indicate that B12N12 may be a promising chemical sensor for detection of formaldehyde molecule.

  3. Abnormal difference between the mobilities of left- and right-twisted conformations of C6H12N2 roto-symmetrical molecules at very low temperatures.

    PubMed

    Gabuda, S P; Kozlova, S G

    2015-06-21

    We report an abnormal difference of low-temperature mobility of left-twisted and right-twisted conformations of roto symmetric molecules C6H12N2 (dabco) located in the same positions in crystal Zn2(C8H4O4)2⋅C6H12N2. The difference between (1)H NMR (Nuclear Magnetic Resonance) spin-relaxation data for left-twisted and right-twisted molecules reaches ∼3 × 10(3) times at 8 K and tends to grow at lower temperatures. We argue that taking into account four-component relativistic Dirac wave functions in the vicinity of the nodal plane of dabco molecules and vacuum fluctuations due to virtual particle-antiparticle pairs can explain the changes which C6H12N2 conformations undergo at low temperatures. PMID:26093554

  4. Measurement of the exclusive cross section sup 12 C(. nu. sub e , e sup minus ) sup 12 N(g. s. )

    SciTech Connect

    Allen, R.C.; Chen, H.H.; Doe, P.J.; Hausamann, R.; Lee, W.P.; Lu, X.; Mahler, H.J.; Potter, M.E.; Wang, K.C. ); Bowles, T.J.; Burman, R.L.; Carlini, R.D.; Cochran, D.R.F.; Frank, J.S.; Piasetzky, E.; Sandberg, V.D. ); Krakauer, D.A.; Talaga, R.L. )

    1990-04-16

    The neutrino-induced nuclear transition {sup 12}C({nu}{sub {ital e}},{ital e}{sup {minus}}){sup 12}N (g.s.) has been observed with a 15-ton fine-grained tracking detector. The exclusive final state is identified by both an electron track and the positron decay of the {sup 12}N. From the observation of 181{plus minus}17 {sup 12}C({nu}{sub {ital e}},{ital e}{sup {minus}}){sup 12}N (g.s.) events with subsequent positron decays the flux-averaged cross section, equivalent to the cross section for 35.0-MeV neutrinos, is (1.05{plus minus}0.10(stat){plus minus}0.10(syst)){times}10{sup {minus}41} cm{sup 2}. This result is in good agreement with recent calculations.

  5. Synthesis and biological evaluation of 12-N-p-chlorobenzyl sophoridinol derivatives as a novel family of anticancer agents.

    PubMed

    Bi, Chongwen; Ye, Cheng; Li, Yinghong; Zhao, Wuli; Shao, Rongguang; Song, Danqing

    2016-05-01

    Taking 12-N-p-chlorobenzyl sophoridinol 2 as a lead, a series of novel sophoridinic derivatives with various 3'-substituents at the 11-side chain were synthesized and evaluated for their anticancer activity from sophoridine (1), a natural antitumor medicine. Among them, the sophoridinic ketones 5a-b, alkenes 7a-b and sophoridinic amines 14a-b displayed reasonable antiproliferative activity with IC50 values ranging from 3.8 to 5.4 μmol/L. Especially, compounds 5a and 7b exhibited an equipotency in both adriamycin (AMD)-susceptible and resistant MCF-7 breast carcinoma cells, indicating a different mechanism from AMD. The primary mechanism of action of 5a was to arrest the cell cycle at the G0/G1 phase, consistent with that of parent compound 1. Thus, we consider 12-chlorobenzyl sophoridinic derivatives with a tricyclic scaffold to be a new class of promising antitumor agents with an advantage of inhibiting drug-resistant cancer cells. PMID:27175333

  6. Quantum Monte Carlo simulation of antiferromagnetic spin ladder (C5H12N)2CuBr4

    NASA Astrophysics Data System (ADS)

    Freitas, Augusto S.

    2016-07-01

    In this paper I present a Quantum Monte Carlo (QMC) study of the magnetic properties of an antiferromagnetic spin ladder (C5H12N)2CuBr4. This compound is the prototype of the Heisenberg model for a two leg spin ladder in the presence of an external magnetic field. The susceptibility phase diagram has a rounded peak in the vicinity of T=7.4 K, obeys Troyer's law for low temperatures, and Curie's law for high temperatures. I also study the susceptibility diagram in low temperatures and I found the spin gap Δ=9.26 K, in good concordance with the experimental value, 9.5 K. In high field, I present a diagram of magnetization as a function of temperature. In the vicinity of a critical field, Hci, the magnetization scales with T1/2 and this result was found also in the QMC simulation. In all the results, there is a very good concordance with the experimental data. I also show in this paper that the spin gap is null and the susceptibility is proportional to T for low temperatures when relatively high values of the ladders' coupling is taken in account.

  7. Synthesis and biological evaluation of 12-N-p-chlorobenzyl sophoridinol derivatives as a novel family of anticancer agents

    PubMed Central

    Bi, Chongwen; Ye, Cheng; Li, Yinghong; Zhao, Wuli; Shao, Rongguang; Song, Danqing

    2016-01-01

    Taking 12-N-p-chlorobenzyl sophoridinol 2 as a lead, a series of novel sophoridinic derivatives with various 3′-substituents at the 11–side chain were synthesized and evaluated for their anticancer activity from sophoridine (1), a natural antitumor medicine. Among them, the sophoridinic ketones 5a–b, alkenes 7a–b and sophoridinic amines 14a–b displayed reasonable antiproliferative activity with IC50 values ranging from 3.8 to 5.4 μmol/L. Especially, compounds 5a and 7b exhibited an equipotency in both adriamycin (AMD)-susceptible and resistant MCF-7 breast carcinoma cells, indicating a different mechanism from AMD. The primary mechanism of action of 5a was to arrest the cell cycle at the G0/G1 phase, consistent with that of parent compound 1. Thus, we consider 12-chlorobenzyl sophoridinic derivatives with a tricyclic scaffold to be a new class of promising antitumor agents with an advantage of inhibiting drug-resistant cancer cells. PMID:27175333

  8. Comparison of external beam treatment techniques for T1-2, N0, M0 glottic cancers

    SciTech Connect

    Camingue, Pamela; Christian, Rochelle; Ng, Davin; Williams, Preston; Amin, Mayankkumar; Roniger, Dominique L.

    2012-07-01

    The purpose of this study was to compare 4 different external beam radiation therapy treatment techniques for the treatment of T1-2, N0, M0 glottic cancers: traditional lateral beams with wedges (3D), 5-field intensity-modulated radiation therapy (IMRT), volumetric modulated arc therapy (VMAT), and proton therapy. Treatment plans in each technique were created for 10 patients using consistent planning parameters. The photon treatment plans were optimized using Philips Pinnacle{sub 3} v.9 and the IMRT and VMAT plans used the Direct Machine Parameter Optimization algorithm. The proton treatment plans were optimized using Varian Eclipse Proton v.8.9. The prescription used for each plan was 63 Gy in 28 fractions. The contours for spinal cord, right carotid artery, left carotid artery, and normal tissue were created with respect to the patient's bony anatomy so that proper comparisons of doses could be made with respect to volume. An example of the different isodose distributions will be shown. The data collection for comparison purposes includes: clinical treatment volume coverage, dose to spinal cord, dose to carotid arteries, and dose to normal tissue. Data comparisons will be displayed graphically showing the maximum, mean, median, and ranges of doses.

  9. Exposure of nuclear track emulsion to a mixed beam of relativistic {sup 12}N, {sup 10}C, and {sup 7}Be nuclei

    SciTech Connect

    Kattabekov, R. R.; Mamatkulov, K. Z.; Artemenkov, D. A.; Bradnova, V.; Vokal, S.; Zhomurodov, D. M.; Zarubin, P. I. Zarubina, I. G.; Igamkulov, Z. A.; Kondratieva, N. V.; Kornegrutsa, N. K.; Krivenkov, D. O.; Malakhov, A. I.; Orlova, G. I.; Peresadko, N. G.; Polukhina, N. G.; Rukoyatkin, P. A.; Rusakova, V. V.; Stanoeva, R.; Haiduc, M.

    2010-12-15

    A nuclear track emulsion was exposed to a mixed beam of relativistic {sup 12}N, {sup 10}C, and {sup 7}Be nuclei having a momentum of 2 GeV/c per nucleon. The beam was formed upon charge exchange processes involving {sup 12}C primary nuclei and their fragmentation. An analysis indicates that {sup 10}C nuclei are dominant in the beam and that {sup 12}N nuclei are present in it. The charge topology of relativistic fragments in the coherent dissociation of these nuclei is presented.

  10. Propagation and extinction of premixed C{sub 5}-C{sub 12}n-alkane flames

    SciTech Connect

    Ji, Chunsheng; Dames, Enoch; Wang, Yang L.; Wang, Hai; Egolfopoulos, Fokion N.

    2010-02-15

    Laminar flame speeds and extinction strain rates of premixed C{sub 5}-C{sub 12}n-alkane flames were determined at atmospheric pressure and elevated unburned mixture temperatures, over a wide range of equivalence ratios. Experiments were performed in the counterflow configuration and flow velocities were measured using Laser Doppler Velocimetry. The laminar flame speeds were obtained using a non-linear extrapolation technique utilizing numerical simulations of the counterflow experiments with detailed descriptions of chemical kinetics and molecular transport. Compared to linearly extrapolated values, the laminar flame speeds obtained using non-linear extrapolations were found to be 1-4 cm/s lower depending on the equivalence ratio. It was determined that the laminar flame speeds of all n-alkane/air mixtures considered in this investigation are similar to each other and sensitive largely to the H{sub 2}/CO and C{sub 1}-C{sub 4} hydrocarbon kinetics. Additionally, the resistance to extinction decreases as the fuel molecular weight increases. Simulations of the experiments were performed using the recently developed JetSurF 0.2 reaction model consisting of 194 species and 1459 reactions. The laminar flame speeds were predicted with good accuracy for all the n-alkane-air mixtures considered. The experimental extinction strain rates are well predicted by the model for fuel-lean mixtures. For stoichiometric and fuel-rich mixtures, the predicted extinction strain rates are approximately 10% lower than the experimental values. Insights into the physical and chemical processes that control the response of n-alkane flames are provided through detailed sensitivity analyses on both reaction rates and binary diffusion coefficients. (author)

  11. Measurement of the exclusive reaction. nu. /sub e/ + /sup 12/C. -->. e/sup /minus// + /sup 12/N(g. s. )

    SciTech Connect

    Allen, R.C.; Bharadwaj, V.; Brooks, G.A.; Chen, H.H.; Doe, P.J.; Hausammann, R.; Lee, W.P.; Lu, X.Q.; Mahler, H.J.; Potter, M.E.

    1988-01-01

    We have measured the cross-section for the exclusive reaction, /sup 12/C(..nu../sub e/,e/sup /minus//)/sup 12/N(g.s.). The experiment was performed with a 15 ton fine-grained tracking detector exposed to ..nu../sub e/'s with equivalent energy of 37 MeV. The detector was triggered by single electrons and the exclusive inverse-beta reaction identified by the delayed coincidence of the /sup 12/N(gs) positron-decay. The flux averaged cross-section was measured to be (1.18 +- 0.11(stat) +- 0.13(sys)) /times/ 10/sup /minus/41/ cm/sup 2/. This result is compared to recent calculations. 3 refs., 1 fig.

  12. 1,2-N-Migration in a Gold-Catalysed Synthesis of Functionalised Indenes by the 1,1-Carboalkoxylation of Ynamides

    PubMed Central

    Adcock, Holly V; Langer, Thomas; Davies, Paul W

    2014-01-01

    Unique α-hemiaminal ether gold carbene intermediates were accessed by a gold-catalysed 1,1-carboalkoxylation strategy and evolved through a highly selective 1,2-N-migration. This skeletal rearrangement gave functionalised indenes, and isotopic labelling confirmed the rare C–N bond cleavage of the ynamide moiety. The effect of substituents on the migration has been explored, and a model is proposed to rationalise the observed selectivity. PMID:24828030

  13. Interactions of 2.1 GeV/n He-4, C-12, N-14 and O-16 nuclei in emulsion

    NASA Technical Reports Server (NTRS)

    Heckman, H. H.; Greiner, D. E.; Lindstrom, P. J.; Shwe, H.

    1975-01-01

    The interaction mean-free-path lengths for He-4, C-12, N-14 and O-16 nuclei at 2.1 GeV/n have been measured in nuclear emulsion detectors. The angular distributions of Z equals 1 and 2 secondaries from the interactions of C, N and O beams are determined, and the topology of projectile fragmentation of these ions is examined.

  14. Identification of a High-Risk Group Among Patients With Oral Cavity Squamous Cell Carcinoma and pT1-2N0 Disease

    SciTech Connect

    Liao, Chun-Ta; Lin, Chien-Yu; Fan, Kang-Hsing; Wang, Hung-Ming; Ng, Shu-Hang; Lee, Li-Yu; Hsueh, Chuen; Chen, I-How; Huang, Shiang-Fu; Kang, Chung-Jan; and others

    2012-01-01

    Purpose: In the American Joint Committee on Cancer 2010 classification system, pT1-2N0 oral cavity squamous cell carcinoma (OSCC) is considered an early-stage cancer treatable with surgery alone (National Comprehensive Cancer Network 2010 guidelines). Our aim was to evaluate the feasibility of surgery alone for pT1-2N0 OSCC patients. Methods and Materials: Among 1279 previously untreated OSCC patients referred to our hospital between January 1996 and May 2008, we identified 457 consecutive patients with pT1-2N0 disease. All had radical tumor excision with neck dissection. A total of 387 patients showing pathologic margins greater than 4 mm and treated by surgery alone were included in the final analysis. All were followed up for at least 24 months after surgery or until death. The 5-year rates of control, distant metastasis, and survival were the main outcome measures. Results: The 5-year rates in the entire group of pT1-2N0 patients were as follows: local control, 91%; neck control, 92%; distant metastases, 1%; disease-free survival, 85%; disease-specific survival, 93%; and overall survival, 84%. Multivariate analysis identified poor differentiation and pathologic tumor depth of 4 mm or greater as independent risk factors for neck control, disease-free survival, and disease-specific survival. A scoring system using poor differentiation and tumor depth was formulated to define distinct prognostic groups. The presence of both poorly differentiated tumors and a tumor depth of 4 mm or greater resulted in significantly poorer 5-year neck control (p < 0.0001), disease-free (p < 0.0001), disease-specific (p < 0.0001), and overall survival (p = 0.0046) rates. Conclusion: The combination of poor differentiation and pathologic tumor depth of 4 mm or greater identified a subset of pT1-2N0 OSCC patients with poor outcome, who may have clinical benefit from postoperative adjuvant radiotherapy.

  15. Gas-Phase Fragmentation Pathways of Mixed Addenda Keggin Anions: PMo12-nW nO 40 3- (n = 0-12).

    PubMed

    Gunaratne, K Don D; Prabhakaran, Venkateshkumar; Johnson, Grant E; Laskin, Julia

    2015-06-01

    We report a collision-induced dissociation (CID) investigation of the mixed addenda polyoxometalate (POM) anions, PMo(12-n)W(n)O(40)(3-) (n = 0-12). The anions were generated in solution using a straightforward single-step synthesis approach and introduced into the gas phase by electrospray ionization (ESI). Distinct differences in fragmentation patterns were observed for the range of mixed addenda POMs examined in this study. CID of molybdenum-rich anions, PMo(12-n)W(n)O(40)(3-) (n = 0-2), generates an abundant doubly charged fragment containing seven metal atoms (M) and 22 oxygen atoms (M(7)O(22)(2-)) and its complementary singly charged PM(5)O(18)(-) ion. In comparison, the doubly charged Lindqvist anion, (M(6)O(19)(2-)) and its complementary singly charged PM(6)O(21)(-) ion are the dominant fragments of Keggin POMs containing more than two tungsten atoms, PMo(12-n)W(n)O(40)(3-) (n = 3-12). The observed transition in the dissociation pathways with an increase in the number of W atoms in the POM may be attributed to the higher barrier of tungsten-rich anions towards isomerization. We present evidence that the observed distribution of Mo and W atoms in the major M(6)O(19)(2-) and M(7)O(22)(2-) fragment ions is different from that predicted by a random distribution, indicating substantial segregation of the addenda metal atoms in the POMs. Charge reduction of the triply charged precursor anion resulting in formation of doubly charged anions is also observed. This is a dominant pathway for mixed POMs having a majority (8-11) of W atoms and a minor channel for other precursors indicating a close competition between fragmentation and charge loss pathways in CID of POM anions. PMID:25832027

  16. Gas-Phase Fragmentation Pathways of Mixed Addenda Keggin Anions: PMo12-nWnO40 3- (n = 0-12)

    NASA Astrophysics Data System (ADS)

    Gunaratne, K. Don D.; Prabhakaran, Venkateshkumar; Johnson, Grant E.; Laskin, Julia

    2015-06-01

    We report a collision-induced dissociation (CID) investigation of the mixed addenda polyoxometalate (POM) anions, PMo12-nWnO40 3- (n = 0-12). The anions were generated in solution using a straightforward single-step synthesis approach and introduced into the gas phase by electrospray ionization (ESI). Distinct differences in fragmentation patterns were observed for the range of mixed addenda POMs examined in this study. CID of molybdenum-rich anions, PMo12-nWnO40 3- (n = 0-2), generates an abundant doubly charged fragment containing seven metal atoms (M) and 22 oxygen atoms (M7O22 2-) and its complementary singly charged PM5O18 - ion. In comparison, the doubly charged Lindqvist anion, (M6O19 2-) and its complementary singly charged PM6O21 - ion are the dominant fragments of Keggin POMs containing more than two tungsten atoms, PMo12-nWnO40 3- (n = 3-12). The observed transition in the dissociation pathways with an increase in the number of W atoms in the POM may be attributed to the higher barrier of tungsten-rich anions towards isomerization. We present evidence that the observed distribution of Mo and W atoms in the major M6O19 2- and M7O22 2- fragment ions is different from that predicted by a random distribution, indicating substantial segregation of the addenda metal atoms in the POMs. Charge reduction of the triply charged precursor anion resulting in formation of doubly charged anions is also observed. This is a dominant pathway for mixed POMs having a majority (8-11) of W atoms and a minor channel for other precursors indicating a close competition between fragmentation and charge loss pathways in CID of POM anions.

  17. Gas-Phase Fragmentation Pathways of Mixed-Addenda Keggin Anions: PMo12-nWnO403- (n = 0-12)

    SciTech Connect

    Gunaratne, Kalupathirannehelage Don D.; Prabhakaran, Venkateshkumar; Johnson, Grant E.; Laskin, Julia

    2015-06-01

    We report a collision-induced dissociation (CID) investigation of the mixed addenda polyoxometalate (POM) anions, PMo12-nWnO403- (n = 0-12). The anions were generated in solution using a straightforward single-step synthesis approach and introduced into the gas phase by electrospray ionization (ESI). Distinct differences in fragmentation patterns were observed for the range of mixed POMs examined in this study. CID of molybdenum-rich anions, PMo12- nWnO403- (n = 0-2), generates an abundant doubly charged fragment containing seven metal atoms (M) and twenty-two oxygen atoms (M7O222-) and its complementary singly charged PM5O18- ion, while the Lindqvist anion, (M6O192-) and its complementary PM6O21- ion are the dominant fragments of Keggin POMs containing more than two tungsten atoms, PMo12-nWnO403- (n = 3-12). The observed transition in the dissociation pathways with an increase in the number of W atoms may be attributed to the higher stability of tungsten-rich anions towards isomerization. We find that the observed distribution of Mo and W atoms in the major M6O192- and M7O222- fragment ions is different from that predicted by a random distribution indicating substantial segregation of the addenda metal atoms in the POMs. Electron detachment from the triply charged precursor anion resulting in formation of doubly charged anions is observed. This is a dominant dissociation pathway for mixed POMs having a majority (8-11) of W atoms and a minor channel for other precursors indicating a close competition between fragmentation and electron detachment pathways of POM anions.

  18. Is Biological Subtype Prognostic of Locoregional Recurrence Risk in Women With pT1-2N0 Breast Cancer Treated With Mastectomy?

    SciTech Connect

    Truong, Pauline T.; Sadek, Betro T.; Lesperance, Maria F.; Alexander, Cheryl S.; Shenouda, Mina; Raad, Rita Abi; Taghian, Alphonse G.

    2014-01-01

    Purpose: To examine locoregional and distant recurrence (LRR and DR) in women with pT1-2N0 breast cancer according to approximated subtype and clinicopathologic characteristics. Methods and Materials: Two independent datasets were pooled and analyzed. The study participants were 1994 patients with pT1-2N0M0 breast cancer, treated with mastectomy without radiation therapy. The patients were classified into 1 of 5 subtypes: luminal A (ER+ or PR+/HER 2−/grade 1-2, n=1202); luminal B (ER+ or PR+/HER 2−/grade 3, n=294); luminal HER 2 (ER+ or PR+/HER 2+, n=221); HER 2 (ER−/PR−/HER 2+, n=105) and triple-negative breast cancer (TNBC) (ER−/PR−/HER 2−, n=172). Results: The median follow-up time was 4.3 years. The 5-year Kaplan-Meier (KM) LRR were 1.8% in luminal A, 3.1% in luminal B, 1.7% in luminal HER 2, 1.9% in HER 2, and 1.9% in TNBC cohorts (P=.81). The 5-year KM DR was highest among women with TNBC: 1.8% in luminal A, 5.0% in luminal B, 2.4% in luminal HER 2, 1.1% in HER 2, and 9.6% in TNBC cohorts (P<.001). Among 172 women with TNBC, the 5-year KM LRR were 1.3% with clear margins versus 12.5% with close or positive margins (P=.04). On multivariable analysis, factors that conferred higher LRR risk were tumors >2 cm, lobular histology, and close/positive surgical margins. Conclusions: The 5-year risk of LRR in our pT1-2N0 cohort treated with mastectomy was generally low, with no significant differences observed between approximated subtypes. Among the subtypes, TNBC conferred the highest risk of DR and an elevated risk of LRR in the presence of positive or close margins. Our data suggest that although subtype alone cannot be used as the sole criterion to offer postmastectomy radiation therapy, it may reasonably be considered in conjunction with other clinicopathologic factors including tumor size, histology, and margin status. Larger cohorts and longer follow-up times are needed to define which women with node-negative disease have high postmastectomy LRR risks in contemporary practice.

  19. Experimental study of the B11,12(n,γ) reactions and their influence on r-process nucleosynthesis of light elements

    NASA Astrophysics Data System (ADS)

    Lee, H. Y.; Greene, J. P.; Jiang, C. L.; Pardo, R. C.; Rehm, K. E.; Schiffer, J. P.; Wuosmaa, A. H.; Goodman, N. J.; Lighthall, J. C.; Marley, S. T.; Otsuki, K.; Patel, N.; Beard, M.; Notani, M.; Tang, X. D.

    2010-01-01

    We have studied the neutron-transfer reactions B11,12(d,p)B12,13 in inverse kinematics to obtain information about the neutron-capture reactions B11,12(n,γ). These capture reactions are suggested to play a role in seeding r-process nucleosynthesis through the production of light, neutron-rich nuclei. The neutron spectroscopic factors of the states in B12,13 were deduced and the branching ratio of the neutron-unbound state at EX=3.389 MeV in B12 was obtained to provide the ratio of partial widths, Γn/Γγ. The reaction rates for B11,12(n,γ) are estimated for direct captures and resonant captures and compared with previous compilations. The astrophysical implications, especially for neutrino-driven wind models in core-collapse supernovae, are discussed in the r-process network framework using our updated reaction rates.

  20. Electronic properties and bulk moduli of new boron nitride polymorphs, i.e., hyperdiamond B{sub 12}N{sub 12} and simple cubic B{sub 24}N{sub 24}, B{sub 12}N{sub 12} fulborenites

    SciTech Connect

    Pokropivny, V. V. Bekenev, V. L.

    2006-06-15

    The energy-band structure, density of states, electron density distribution, equation of state, and bulk moduli of three boron-nitride fulborenite crystals, i.e., B{sub 12}N{sub 12} with diamond lattice and B{sub 24}N{sub 24}, B{sub 12}N{sub 12} with simple cubic lattice, whose sites contain fulborene B{sub 12}N{sub 12} and B{sub 24}N{sub 24} molecules, are calculated for the first time using the full-potential linearized augmented plane wave method. The following hyperdiamond B{sub 12}N{sub 12} parameters were obtained: the equilibrium lattice parameter a = 1.1191 nm, the B-N bond length a{sub BN} = 0.1405 nm, the number of atoms per unit cell Z = 192, the density {rho} = 2.823 g/cm{sup 3}, the bulk modulus B{sub 0} = 658 GPa, and the band gap {delta}E{sub g} = 3.05 eV. This is a previously unknown unique light superhard semiconductor faujasite with a recorded bulk modulus higher than that of diamond. There are reasons to assume that it is a E phase. The characteristics of B{sub 24}N{sub 24} with simple cubic lattice are as follows: the equilibrium lattice parameter a = 0.7346 nm, the B-N bond length a{sub BN} = 0.1521 nm, the number of atoms per unit cell Z = 48, the density {rho} = 2.495 g/cm{sup 3}, the bulk modulus B{sub 0} = 367 GPa, and the band gap {delta}E{sub g} = 3.76 eV. This material is a heteropolar semiconductor or insulator with a bulk modulus comparable with that of cubic boron nitride, as well as a new boron-nitride zeolite with channel diameter of 0.46 nm. B{sub 12}N{sub 12} with simple cubic lattice is a molecular semimetal.

  1. AC conductivity and dielectric relaxation of tris(N,N-dimethylanilinium) hexabromidostannate(IV) bromide: (C8H12N)3SnBr6.Br

    NASA Astrophysics Data System (ADS)

    Chouaib, H.; Kamoun, S.

    2015-10-01

    The X-ray powder analysis, thermogravimetric analysis, differential scanning calorimetry analysis and complex impedance spectroscopic data have been carried out on (C8H12N)3SnBr6.Br compound. The results show that this compound exhibits a phase transition at (T=365±2 K) which has been characterized by differential scanning calorimetry (DSC), AC conductivity and dielectric measurements. The AC conductivity, the modulus analysis, the dielectric constants and the polarizability have been studied using impedance in the temperature range from 334 K to 383 K and in the frequency range between 20 Hz and 2 MHz. The temperature dependence of DC conductivity follows the Arrhenius law. Moreover, the frequency dependence of conductivity follows Jonscher's dynamical law with the relation: σ(ω , T) =σDC + B(T)ω s(T) . Relaxation peaks can be observed in the complex modulus analysis and after a transformation of the complex permittivity ε* to the complex polarizability α*.

  2. Investigation of magnetic structure on (C5H12N)CuBr3 system on the basis of DFT study and orbital interaction

    NASA Astrophysics Data System (ADS)

    Lee, Changhoon; Hong, Jisook; Shim, Ji Hoon; Pohang Univ of Sci; Tech Team

    2015-03-01

    The (C5H12N)CuBr3 compound crystallizes in the monoclinic group C2/c. Magnetic susceptibility data down to 1.8 K can be well fitted for the antiferromagnetic spin-1/2 chain, giving the intrachain magnetic coupling constant Jintra ~ -17 K. At zero field, (pipH)CuBr3 shows 3D order below TN = 1.68 K. Calculated by the mean-field theory, the interchain coupling constant Jinter = - 0.91 K is obtained and the ordered magnetic moment is about 0.23 μB. However, the interchain interaction should be strong unlike experimental observation. From the analysis of local structure, the Jinter spin dimer show the possibility of good orbital overlap via Cu-O...O-Cu path in which angle for Cu-O...O-Cu is 161° indicating strong interchain interaction via Cu-O...O-Cu path. The magnetic structure of (C5H12N)CuBr3 system in terms of orbital interaction could anticipated by two-leg spin ladder which such spin ladders interact ferromagnetically to form ladder. In this study, we evaluated spin exchange interactions of (pipH)CuBr3 based on DFT calculations to find the magnetic structure of this system. As a consequence, the Jinter interaction is strong and the magnetic structure of this system, indeed, is described by two-leg spin ladder. This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (2013R1A1A2060341)

  3. Synthesis of the phase pure Ba3Si6O12N2:Eu2+ green phosphor and its application in high color rendition white LEDs.

    PubMed

    Li, Wanyuan; Xie, Rong-Jun; Zhou, Tianliang; Liu, Lihong; Zhu, Yuejin

    2014-04-28

    The promising green oxynitride phosphor, Ba3Si6O12N2:Eu(2+), was synthesized at 1350 °C for 5 hours under a reducing N2/H2 (5%) atmosphere by using the solid-state reaction method. The phase purity was investigated by varying the nominal compositions, and the pure phase was achieved by carefully controlling the Si/Ba and O/Ba ratios. The phosphor displayed a broad excitation band spanning from the ultraviolet (UV) to the blue spectral region, and showed a single symmetrical emission band peaking at 525 nm with a full width at half maximum (FWHM) of ∼ 68 nm. The as-prepared green phosphor exhibited a small thermal quenching, which remained 90% of the initial emission intensity when measured at 200 °C. The internal and external quantum efficiencies measured under 450 nm excitation were 68 and 38%, respectively. Color temperature-tunable white LEDs with a high color rendering index of Ra = 88-94 were attained by combining the prepared green phosphor and a red phosphor Sr2Si5N8:Eu(2+) with a blue LED chip. PMID:24557497

  4. Superconductivity in Ban+2Ir4nGe12n+4 (n=1,2) with cage structure and softening of low-lying localized mode

    NASA Astrophysics Data System (ADS)

    Guo, Jiangang; Yamaura, Jun-ichi; Lei, Hechang; Matsuishi, Satoru; Qi, Yanpeng; Hosono, Hideo

    2013-10-01

    We report on new superconductors Ban+2Ir4nGe12n+4 (n = 1, 2) with critical temperatures Tc = 6.1 and 3.2 K, respectively, along with their crystal structures, electron transport, and specific heat. The compounds are composed of alternating Ba@Ir8Ge16 and Ba@Ir2Ge16 cages, both of which are larger in the n = 1 sample than in the n = 2 sample. The normal-state heat capacity reveals two low-lying vibration modes associated with guest Ba cations, and both characteristic temperatures in Ba3Ir4Ge16 are smaller than those in Ba4Ir8Ge28. Meanwhile, the density functional theory calculations reveal that the Ge-4p bands dominated the Fermi level in both samples. We propose that the softening of localized phonons due to expansion of the cage strengthens the electron-phonon coupling between Ba cations and Ge anions, leading to the higher Tc in Ba3Ir4Ge16.

  5. Effect of quenching conditions on the formation of the grain structure and the mechanical properties of high-nitrogen austenitic 02Kh20AG14N8MF and 02Kh20AG12N4 steels

    NASA Astrophysics Data System (ADS)

    Bannykh, I. O.

    2015-11-01

    The formation of the grain structure of high-nitrogen 02Kh20AG14N8MF and 02Kh20AG12N4 steels in forging and quenching and their mechanical properties in this state have been studied. It is found that both steels have close mechanical properties under the same quenching conditions. In 02Kh20AG14N8MF steel, a homogeneous structure of primarily recrystallized austenite grains forms under the quenching conditions under study. In 02Kh20AG12N4 steel, the processes of secondary recrystallization and normal grain growth take place.

  6. Material properties and structural characterization of M3Si6O12N2:Eu2+ (M = Ba, Sr)--a comprehensive study on a promising green phosphor for pc-LEDs.

    PubMed

    Braun, Cordula; Seibald, Markus; Börger, Saskia L; Oeckler, Oliver; Boyko, Teak D; Moewes, Alexander; Miehe, Gerhard; Tücks, Andreas; Schnick, Wolfgang

    2010-08-16

    The efficient green phosphor Ba(3)Si(6)O(12)N(2):Eu(2+) and its solid-solution series Ba(3-x)Sr(x)Si(6)O(12)N(2) (with x approximately = 0.4 and 1) were synthesized in a radio-frequency furnace under nitrogen atmosphere at temperatures up to 1425 degrees C. The crystal structure (Ba(3)Si(6)O(12)N(2), space group P3 (no. 147), a = 7.5218(1), c = 6.4684(1) A, wR2 = 0.048, Z = 1) has been solved and refined on the basis of both single-crystal and powder X-ray diffraction data. Ba(3)Si(6)O(12)N(2):Eu(2+) is a layer-like oxonitridosilicate and consists of vertex-sharing SiO(3)N-tetrahedra forming 6er- and 4er-rings as fundamental building units (FBU). The nitrogen atoms are connected to three silicon atoms (N3), while the oxygen atoms are either terminally bound (O1) or bridge two silicon atoms (O2) (numbers in superscripted square brackets after atoms indicate the coordination number of the atom in question). Two crystallographically independent Ba(2+) sites are situated between the silicate layers. Luminescence investigations have shown that Ba(3)Si(6)O(12)N(2):Eu(2+) exhibits excellent luminescence properties (emission maximum at approximately 527 nm, full width at half maximum (FWHM) of approximately 65 nm, low thermal quenching), which provides potential for industrial application in phosphor-converted light-emitting diodes (pc-LEDs). In-situ high-pressure and high-temperature investigations with synchrotron X-ray diffraction indicate decomposition of Ba(3)Si(6)O(12)N(2) under these conditions. The band gap of Ba(3)Si(6)O(12)N(2):Eu(2+) was measured to be 7.05+/-0.25 eV by means of X-ray emission spectroscopy (XES) and X-ray absorption near edge spectroscopy (XANES). This agrees well with calculated band gap of 6.93 eV using the mBJ-GGA potential. Bonding to the Ba atoms is highly ionic with only the 4p(3/2) orbitals participating in covalent bonds. The valence band consists primarily of N and O p states and the conduction band contains primarily Ba d and f states

  7. Integral Representation of the Pictorial Proof of Sum of [superscript n][subscript k=1]k[superscript 2] = 1/6n(n+1)(2n+1)

    ERIC Educational Resources Information Center

    Kobayashi, Yukio

    2011-01-01

    The pictorial proof of the sum of [superscript n][subscript k=1] k[superscript 2] = 1/6n(n+1)(2n+1) is represented in the form of an integral. The integral representations are also applicable to the sum of [superscript n][subscript k-1] k[superscript m] (m greater than or equal to 3). These representations reveal that the sum of [superscript…

  8. Abnormal difference between the mobilities of left- and right-twisted conformations of C{sub 6}H{sub 12}N{sub 2} roto-symmetrical molecules at very low temperatures

    SciTech Connect

    Gabuda, S. P.; Kozlova, S. G.

    2015-06-21

    We report an abnormal difference of low-temperature mobility of left-twisted and right-twisted conformations of roto symmetric molecules C{sub 6}H{sub 12}N{sub 2} (dabco) located in the same positions in crystal Zn{sub 2}(C{sub 8}H{sub 4}O{sub 4}){sub 2}⋅C{sub 6}H{sub 12}N{sub 2}. The difference between {sup 1}H NMR (Nuclear Magnetic Resonance) spin-relaxation data for left-twisted and right-twisted molecules reaches ∼3 × 10{sup 3} times at 8 K and tends to grow at lower temperatures. We argue that taking into account four-component relativistic Dirac wave functions in the vicinity of the nodal plane of dabco molecules and vacuum fluctuations due to virtual particle-antiparticle pairs can explain the changes which C{sub 6}H{sub 12}N{sub 2} conformations undergo at low temperatures.

  9. Direct evidence of complete charge separation in the excited triplet state of 1,2-( N-arylaziridino)-[60] fullerenes by means of time-resolved electron paramagnetic resonance

    NASA Astrophysics Data System (ADS)

    Yamauchi, Seigo; Iwasaki, Yohei; Ohba, Yasunori; Awen, Bahlul Z. S.; Ouchi, Akihiko

    2005-08-01

    Some of 1,6-( N-substituted) aza-[60] fulleroids ( 1) and their corresponding photochemical reaction products, 1,2-( N-substituted) aziridino-[60] fullerenes ( 2) showed peculiar transient absorption peaks depending on the N-substituents. Although these bands are considered to concern with very slow photochemical rearrangements 1 → 2 in the excited triplet state, no definitive evidence has been obtained yet. We report on the character of the excited triplet states in these compounds by means of a time-resolved electron paramagnetic resonance technique. Definitive evidence on the involvement of intra-molecular charge transfer states is shown in this Letter.

  10. Relevance of 4f-3d exchange to finite-temperature magnetism of rare-earth permanent magnets: An ab-initio-based spin model approach for NdFe12N

    NASA Astrophysics Data System (ADS)

    Matsumoto, Munehisa; Akai, Hisazumi; Harashima, Yosuke; Doi, Shotaro; Miyake, Takashi

    2016-06-01

    A classical spin model derived ab initio for rare-earth-based permanent magnet compounds is presented. Our target compound, NdFe12N, is a material that goes beyond today's champion magnet compound Nd2Fe14B in its intrinsic magnetic properties with a simpler crystal structure. Calculated temperature dependence of the magnetization and the anisotropy field agrees with the latest experimental results in the leading order. Having put the realistic observables under our numerical control, we propose that engineering 5d-electron-mediated indirect exchange coupling between 4f-electrons in Nd and 3d-electrons from Fe would most critically help enhance the material's utility over the operation-temperature range.

  11. Magnetic Properties of [Ni(C_4H_12N_2)_2(μ-N_3)]_n(ClO_4)_n: A Quasi-One-Dimensional Antiferromagnetic S = 1 Ladder-Like Material.

    NASA Astrophysics Data System (ADS)

    Ward, B. H.; Talham, D. R.; Granroth, G. E.; Meisel, M. W.

    1997-03-01

    [Ni(1,2-diamino-2-methylpropane)_2(μ-N_3)]_n(ClO_4)n forms a helicoidal nickel(II)-azido skeleton due to the cis position of the azido bridging ligands( J. Ribas et al.), Inorg. Chem. 34 (1995) 4986.. The resulting S = 1 ladder-like structure is reminiscent of the one possessed by the S = 1/2 material Cu_2(C_5H_12N_2)_2Cl_4.( B. Chiari et al., Inorg. Chem.) 29 (1990) 1172.^,( P.R. Hammer and D.H. Reich, J. Appl. Phys.) 79 (1996) 5392. The magnetic properties of powder, polycrystalline, and oriented single crystal samples have been measured down to 2 K in fields up to 5 T, where no evidence for long-range order is observed. Various possible theoretical fits of the data will be presented, and magnetic and thermodynamic measurements at millikelvin temperatures are in progress.

  12. Structure and thermodynamic properties of (C5H12N)CuBr3: a new weakly coupled antiferromagnetic spin-1/2 chain complex lying in the 1D-3D dimensional cross-over regime.

    PubMed

    Pan, Bingying; Wang, Yang; Zhang, Lijuan; Li, Shiyan

    2014-04-01

    Single crystals of a metal organic complex (C5H12N)CuBr3 (C5H12N = piperidinium, pipH for short) have been synthesized, and the structure was determined by single-crystal X-ray diffraction. (pipH)CuBr3 crystallizes in the monoclinic group C2/c. Edging-sharing CuBr5 units link to form zigzag chains along the c axis, and the neighboring Cu(II) ions with spin-1/2 are bridged by bibromide ions. Magnetic susceptibility data down to 1.8 K can be well fitted by the Bonner-Fisher formula for the antiferromagnetic spin-1/2 chain, giving the intrachain magnetic coupling constant J ≈ -17 K. At zero field, (pipH)CuBr3 shows three-dimensional (3D) order below TN = 1.68 K. Calculated by the mean-field theory, the interchain coupling constant J' = -0.91 K is obtained and the ordered magnetic moment m0 is about 0.23 μB. This value of m0 makes (pipH)CuBr3 a rare compound suitable to study the 1D-3D dimensional cross-over problem in magnetism, since both 3D order and one-dimensional (1D) quantum fluctuations are prominent. In addition, specific heat measurements reveal two successive magnetic transitions with lowering temperature when external field μ0H ≥ 3 T is applied along the a' axis. The μ0H-T phase diagram of (pipH)CuBr3 is roughly constructed. PMID:24617285

  13. Preparation and properties of the full series of cuboidal clusters [Mo(x)W4-xSe4(H2O)12]n+ (n = 4-6) and their derivatives.

    PubMed

    Sokolov, M; Esparza, P; Hernandez-Molina, R; Platas, J G; Mederos, A; Gavin, J A; Llusar, R; Vicent, C

    2005-02-21

    Hydrothermal reactions between incomplete cuboidal cluster aqua complexes [M3Q4(H2O)9]4+ and M(CO)6 (M = Mo, W; Q = S, Se) offer easy access to the corresponding cuboidal clusters M4Q4. The complete series of homometal and mixed Mo/W clusters [Mo(x)W4-xQ4(H2O)12]n+ (x = 0-4, n = 4-6) has been prepared. Upon oxidation of the mixed-metal clusters, it is the W atom which is lost, allowing selective preparation of new trinuclear clusters [Mo2WSe4(H2O)9]4+ and [MoW2Se4(H2O)9]4+. The aqua complexes were converted by ligand exchange reactions into dithiophosphato and thiocyanato complexes, and crystal structures of [W4S4((EtO)2PS2)6], [MoW3S4((EtO)2PS2)6], [Mo4Se4((EtO)2PS2)6], [W4Se4((i-PrO)2PS2)6], and (NH4)6[W4Se4(NCS)12]-4H20 were determined. Cyclic voltammetry was performed on [Mo(x)W4-xCO4(H2O)12]n+, showing reversible redox waves 6+/5+ and 5+/4+. The lower oxidation states are more difficult to access as the number of W atoms increases. The [Mo2WSe4(H2O)9]4+ and [MoW2Se4(H2O)9]4+ species were derivatized into [Mo2WSe4(acac)3(py)3]+ and [MoW2Se4(acac)3(py)3]+, which were also studied by CV. When appropriate, the products were also characterized by FAB-MS and NMR (31P, 1H) data. PMID:15859295

  14. Structural characterization, thermal, ac conductivity and dielectric properties of (C7H12N2)2[SnCl6]Cl2.1.5H2O

    NASA Astrophysics Data System (ADS)

    Hajji, Rachid; Oueslati, Abderrazek; Hajlaoui, Fadhel; Bulou, Alain; Hlel, Faouzi

    2016-05-01

    (C7H12N2)2[SnCl6]Cl2.1.5H2O is crystallized at room temperature in the monoclinic system (space group P21/n). The isolated molecules form organic and inorganic layers parallel to the (a, b) plane and alternate along the c-axis. The inorganic layer is built up by isolated SnCl6 octahedrons. Besides, the organic layer is formed by 2,4-diammonium toluene cations, between which the spaces are filled with free Cl- ions and water molecules. The crystal packing is governed by means of the ionic N-H...Cl and Ow-H...Cl hydrogen bonds, forming a three-dimensional network. The thermal study of this compound is reported, revealing two phase transitions around 360(±3) and 412(±3) K. The electrical and dielectric measurements were reported, confirming the transition temperatures detected in the differential scanning calorimetry (DSC). The frequency dependence of ac conductivity at different temperatures indicates that the correlated barrier hopping (CBH) model is the probable mechanism for the ac conduction behavior.

  15. Engineering Chinese hamster ovary (CHO) cells for producing recombinant proteins with simple glycoforms by zinc-finger nuclease (ZFN)-mediated gene knockout of mannosyl (alpha-1,3-)-glycoprotein beta-1,2-N-acetylglucosaminyltransferase (Mgat1).

    PubMed

    Sealover, Natalie R; Davis, Angela M; Brooks, Jeanne K; George, Henry J; Kayser, Kevin J; Lin, Nan

    2013-08-10

    While complex N-linked glycoforms are often desired in biotherapeutic protein production, proteins with simple, homogeneous glycan structure have implications for X-ray crystallography and for recombinant therapeutics targeted to the mannose receptor of antigen presenting cells. Mannosyl (alpha-1,3-)-glycoprotein beta-1,2-N-acetylglucosaminyltransferase (Mgat1, also called GnTI) adds N-acetylglucosamine to the Man5GlcNAc2 (Man5) N-glycan structure as part of complex N-glycan synthesis. Here, we report the use of zinc-finger nuclease (ZFN) genome editing technology to create Mgat1 disrupted Chinese hamster ovary (CHO) cell lines. These cell lines allow for the production of recombinant proteins with Man5 as the predominant N-linked glycosylation species. This method provides advantages over previously reported methods to create Mgat1-deficient cell lines. The use of ZFN-based genome editing eliminates potential regulatory concerns associated with random chemical mutagenesis, while retaining the robust growth and productivity characteristics of the parental cell lines. These Mgat1 disrupted cell lines may be used to produce mannose receptor-targeted therapeutic proteins. Cell line generation work can be performed in both Mgat1 disrupted and wild-type host cell lines to conduct X-ray crystallography studies of protein therapeutics in the same cell line used for production. PMID:23777858

  16. Effect of CuO2 planes on the structural and superconducting transport properties of [CuTl ‑ 12(n ‑ 1)n;n = 2,3,4] superconductor family

    NASA Astrophysics Data System (ADS)

    Muzaffar, M. Usman; Khan, Nawazish A.

    2016-06-01

    Cu0.5Tl0.5Ba2Can‑1CunO2n+4‑δ (n = 2, 3, 4) superconducting bulk samples have been synthesized by using two-step solid state reaction method. We investigated the effects of CuO2 planes on the structural and superconducting transport properties of [CuTl ‑ 12(n ‑ 1)n; n = 2, 3, 4] superconducting family. These samples were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) absorption spectroscopy and DC-resistivity (ρ) measurements. These samples are c-axis length oriented and have shown orthorhombic crystal structure. All the samples have shown metallic variations of resistivity from room temperature down to onset of superconductivity. The zero resistivity critical temperature Tc(R = 0) increases with the increase in superconducting planes and normal state resistivity systematically decreases, which show the density of inadvertent defects decreases in the final compound. The apical oxygen phonon modes are hardened as observed in the FTIR absorption measurements. The intrinsic microscopic superconducting parameters, such as the cross-over temperatures, coherence length along c-axis (ξc(0)) at 0 K, inter-layer coupling (J), inter-grain coupling (α) and fermi velocity (VF), were extracted from the fluctuation-induced conductivity (FIC) analysis. FIC analysis also showed the improvement in superconductivity with the increase in CuO2 planes.

  17. Prognostic Significance of the Number of Positive Lymph Nodes in Women With T1-2N1 Breast Cancer Treated With Mastectomy: Should Patients With 1, 2, and 3 Positive Lymph Nodes Be Grouped Together?

    SciTech Connect

    Dai Kubicky, Charlotte; Mongoue-Tchokote, Solange

    2013-04-01

    Purpose: To determine whether patients with 1, 2, or 3 positive lymph nodes (LNs) have similar survival outcomes. Methods and Materials: We analyzed the Surveillance, Epidemiology, and End Results registry of breast cancer patients diagnosed between 1990 and 2003. We identified 10,415 women with T1-2N1M0 breast cancer who were treated with mastectomy with no adjuvant radiation, with at least 10 LNs examined and 6 months of follow-up. The Kaplan-Meier method and log–rank test were used for survival analysis. Multivariate analysis was performed using the Cox proportional hazard model. Results: Median follow-up was 92 months. Ten-year overall survival (OS) and cause-specific survival (CSS) were progressively worse with increasing number of positive LNs. Survival rates were 70%, 64%, and 60% (OS), and 82%, 76%, and 72% (CSS) for 1, 2, and 3 positive LNs, respectively. Pairwise log–rank test P values were <.001 (1 vs 2 positive LNs), <.001 (1 vs 3 positive LNs), and .002 (2 vs 3 positive LNs). Multivariate analysis showed that number of positive LNs was a significant predictor of OS and CSS. Hazard ratios increased with the number of positive LNs. In addition, age, primary tumor size, grade, estrogen receptor and progesterone receptor status, race, and year of diagnosis were significant prognostic factors. Conclusions: Our study suggests that patients with 1, 2, and 3 positive LNs have distinct survival outcomes, with increasing number of positive LNs associated with worse OS and CSS. The conventional grouping of 1-3 positive LNs needs to be reconsidered.

  18. Synthesis and crystal structure of 3-ammoniumphenyl sulfone selenate, 3-aminophenyl sulfone [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]SeO{sub 4} {center_dot} [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S

    SciTech Connect

    Mahroug, A.; Belhouchet, M. Mhiri, T.

    2013-07-15

    The crystal structure of [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]SeO{sub 4} {center_dot} [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S] was determined by X-ray diffraction on single crystal. Crystals are orthorhombic, space group Pbca, with cell parameters a = 11.545 (1), b = 8.143 (1), c = 55.783(1)A, V = 5244.2 (8)A{sup 3} and Z = 8. The structure can be described as organic layers built by [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]{sup 2+} cations and [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S] molecules, parallel to ab plane, between which the inorganic groups SeO{sub 4}{sup 2-} are inserted. In this atomic arrangement, H-bonds between the different species play an important role in the three-dimensional network cohesion.

  19. Structural characterization, thermal, spectroscopic and magnetic studies of the (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Mn{sub 1.50}{sup II}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] and (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Co{sub 1.50}{sup II}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] compounds

    SciTech Connect

    Bazan, B.

    2008-05-06

    The (C{sub 3}H{sub 12}N{sub 2}){sub 0.94}[Mn{sub 1.50}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] and (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Co{sub 1.50}Fe{sub 1.50}{sup III}(AsO{sub 4})F{sub 6}] compounds 1 and 2 have been synthesized using mild hydrothermal conditions. These phases are isostructural with (C{sub 3}H{sub 12}N{sub 2}){sub 0.75}[Fe{sub 1.5}{sup II}Fe{sub 1.5}{sup III}(AsO{sub 4})F{sub 6}]. The compounds crystallize in the orthorhombic Imam space group. The unit cell parameters calculated by using the patterns matching routine of the FULPROOF program, starting from the cell parameters of the iron(II),(III) phase, are: a 7.727(1) A, b = 11.047(1) A, c = 13.412(1) A for 1 and a = 7.560(1) A, b 11.012(1) A, c = 13.206(1) A for 2, being Z = 8 in both compounds. The crystal structure consists of a three-dimensional framework constructed from edge-sharing [M{sup II}(1){sub 2}O{sub 2}F{sub 8}] (M = Mn, Co) dimeric octahedra linked to [Fe{sup III}(2)O{sub 2}F{sub 4}] octahedra through the F(1) anions and to the [AsO{sub 4}] tetrahedra by the O(1) vertex. This network gives rise two kinds of chains, which are extended in perpendicular directions. Chain 1 is extended along the a-axis and chain 2 runs along the c-axis. These chains are linked by the F(1) and O(1) atoms and establish cavities delimited by eight or six polyhedra along the [1 0 0] and [0 0 1] directions, respectively. The propanediammonium cations are located inside these cavities. The thermal study indicates that the structures collapse with the calcination of the organic dication at 255 and 285 deg. C for 1 and 2, respectively. The Moessbauer spectra in the paramagnetic state indicate the existence of two crystallographically independent positions for the iron(III) cations and a small proportion of this cation in the positions of the divalent Mn(II) and Co(II) ones. The IR spectrum shows the protonated bands of the H{sub 2}N- groups of the propanediamine molecule and the characteristic bands of the

  20. Hydrothermal synthesis, crystal structure, and magnetic properties of a novel organo-templated iron(III) borophosphate: (C{sub 3}H{sub 12}N{sub 2})Fe{sup III} {sub 6}(H{sub 2}O){sub 4}[B{sub 4}P{sub 8}O{sub 32}(OH){sub 8}

    SciTech Connect

    Huang Yaxi; Schnelle, Walter; Zhang Hui; Borrmann, Horst; Kniep, Ruediger

    2009-04-15

    The organo-templated iron(III) borophosphate (C{sub 3}H{sub 12}N{sub 2})Fe{sup III} {sub 6}(H{sub 2}O){sub 4}[B{sub 4}P{sub 8}O{sub 32}(OH){sub 8}] was prepared under mild hydrothermal conditions (at 443 K) and the crystal structure was determined from single crystal X-ray data at 295 K (monoclinic, P2{sub 1}/c (No. 14), a=5.014(2) A, b=9.309(2) A, c=20.923(7) A, beta=110.29(2){sup o}, V=915.9(5) A{sup 3}, Z=2, R1=0.049, wR2=0.107 for all data, 2234 observed reflections with I>2sigma(I)). The title compound contains a complex inorganic framework of borophosphate trimers [BP{sub 2}O{sub 8}(OH){sub 2}]{sup 5-} together with FeO{sub 4}(OH)(H{sub 2}O)- and FeO{sub 4}(OH){sub 2}-octahedra forming channels with ten-membered ring apertures in which the diaminopropane cations are located. The magnetization measurements confirm the Fe(III)-state and show an antiferromagnetic ordering at T{sub N}{approx}14.0(1) K. - Graphical abstract: The complex inorganic open-framework of (C{sub 3}H{sub 12}N{sub 2})Fe{sup III} {sub 6}(H{sub 2}O){sub 4}[B{sub 4}P{sub 8}O{sub 32}(OH){sub 8}] consists of borophosphate trimers and iron(III) coordination octahedra arranged to form channels with ten-membered ring apertures in which the organic 1,3-diaminopropane cations are located.

  1. The role of post-operative radiotherapy in non-small-cell lung cancer: a multicentre randomised trial in patients with pathologically staged T1-2, N1-2, M0 disease. Medical Research Council Lung Cancer Working Party.

    PubMed Central

    Stephens, R. J.; Girling, D. J.; Bleehen, N. M.; Moghissi, K.; Yosef, H. M.; Machin, D.

    1996-01-01

    The role of post-operative radiotherapy for patients with non-small-cell lung cancer (NSCLC) is unclear despite five previous randomised trials. One deficiency with these trials was that they did not include adequate TNM staging, and so the present randomised trial was designed to compare surgery alone (S) with surgery plus post-operative radiotherapy (SR) in patients with pathologically staged T1-2, N1-2. M0 NSCLC. Between July 1986 and October 1993, 308 patients (154 S, 154 SR) were entered from 16 centres in the UK. The median age of the patients was 62 years, 74% were male, > 85% had normal or near normal levels of general condition, activity and breathlessness, 68% had squamous carcinoma, 52% had had a pneumonectomy, 63% had N1 disease and 37% N2 disease. SR patients received 40 Gy in 15 fractions starting 4-6 weeks post-operatively. Overall there was no advantage to either group in terms of survival, although definite local recurrence and bony metastases appeared less frequently and later in the SR group. In a subgroup analysis, in the N1 group no differences between the treatment groups were seen, but in the N2 group SR patients appeared to gain a one month survival advantage, delayed time to local recurrence and time to appearance of the bone metastases. There is, therefore, no clear indication for post-operative radiotherapy in N1 disease, but the question remains unresolved in N2 disease. PMID:8761382

  2. Calorimetric Investigation of Thermal Stability of 304H Cu (Fe-17.7Cr-9.3Ni-2.95Cu-0.91Mn-0.58Nb-0.24Si-0.1C-0.12N-Wt Pct) Austenitic Stainless Steel

    NASA Astrophysics Data System (ADS)

    Tripathy, Haraprasanna; Subramanian, Raju; Hajra, Raj Narayan; Rai, Arun Kumar; Rengachari, Mythili; Saibaba, Saroja; Jayakumar, Tammana

    2016-05-01

    The sequence of phase instabilities that take place in a Fe-17.7Cr-9.3Ni-0.58Nb-2.95Cu-0.12N (wt pct) austenitic stainless steel (304H Cu grade) as a function of temperature has been investigated using dynamic calorimetry. The results obtained from this investigation are supplemented by Thermocalc-based equilibrium and Scheil-Gulliver nonequilibrium solidification simulation. The following phase transformation sequence is found upon slow cooling from liquid: L → L + γ → L + γ + MX → γ + MX + δ → γ +MX + M23C6 → γ + MX + M23C6 + Cu. Under slow cooling, the solidification follows austenite + ferrite (AF) mode, which is in accordance with Thermocalc prediction and Scheil-Gulliver simulation. However, higher cooling rates result in skeletal δ-ferrite formation, due to increased segregation tendency of Nb and Cr to segregate to interdendritic liquid. The solidification mode is found to depend on combined Nb + Cu content. Experimental estimates of enthalpy change associated with melting and secondary phase precipitation are also obtained. In addition a semi-quantitative study on the dissolution kinetics of M23C6 type carbides has also been investigated. The standard solution treatment at 1413 K (1140 °C) is found to be adequate to dissolve both Cu and M23C6 into γ-austenite; but the complete dissolution of MX type carbonitrides occurs near the melting region.

  3. A new organically templated monodimensional mixed valence (Fe{sup II}/Fe{sup III}) phosphite: (C{sub 4}H{sub 12}N{sub 2})[Fe{sup II}Fe{sup III}(HPO{sub 3}){sub 2}F{sub 3}

    SciTech Connect

    Fernandez-Armas, Sergio

    2007-03-22

    The organically templated (C{sub 4}H{sub 12}N{sub 2})[Fe{sup II}Fe{sup III}(HPO{sub 3}){sub 2}F{sub 3}] compound has been synthesized under mild solvothermal conditions. The crystal structure has been determined from X-ray single-crystal diffraction data. The compound crystallizes in the P2{sub 1}/n monoclinic space group, with the unit-cell parameters a = 12.935(1), b = 6.4476(7), c = 15.693(2) A, {beta} = 105.630(9){sup o} and Z = 4. The crystal structure consists of [Fe{sup II}Fe{sup III}(HPO{sub 3}){sub 2}F{sub 3}]{sup 2-} chains formed by a central chain built of [Fe(2)O{sub 4}F{sub 2}] edge-sharing octahedra, and two side chains formed by alternating [Fe(1)O{sub 3}F{sub 3}] octahedra and [HP(1)O{sub 3}] tetrahedra. The piperazinium cations are placed between the chains linked by ionic and hydrogen interactions. The IR and Raman spectra show the existence of two phosphite crystallographically independent. From the diffuse reflectance spectrum the D {sub q} parameter for the iron(II) cations has been calculated (D {sub q} = 820 cm{sup -1}). The Moessbauer spectrum in the paramagnetic state shows the simultaneous presence of Fe{sup 2+} and Fe{sup 3+}. The magnetic measurements indicate the existence of antiferromagnetic interactions.

  4. Total body calcium analysis using the Ca-12(n, alpha) Ar-37 reaction

    NASA Technical Reports Server (NTRS)

    Lewellen, T. K.; Nelp, W. B.

    1977-01-01

    A low dose neutron activation technique was developed to measure total body calcium in vivo. The effort had included development of irradiation and processing facilities and conduction of human studies to determine the accuracy and precision of measurement attainable with the systems.

  5. Materials Data on ZnH12N4(ClO4)2 (SG:216) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2016-02-04

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Synthesis and crystal structure of a chiral aromatic amine chloride salt (C8H12N)Cl

    NASA Astrophysics Data System (ADS)

    Ben Salah, A. M.; Naїli, H.; Mhiri, T.; Bataille, T.

    2015-12-01

    The new organic chloride salt incorporating an aromatic primary amine with a chiral functional group, (S)-α-methylbenzylammonium), has been synthesized by slow evaporation method at room temperature. The crystals are trigonal with non-centrosymmetric sp. gr. R3. The crystal packing is determined by N-H···Cl hydrogen bonds and C-H···π interactions between the aromatic rings of the organic moieties, resulting in supramolecular architecture.

  7. Materials Data on FeH44C12(N5O8)2 (SG:2) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  8. Materials Data on NiH44C12(N5O8)2 (SG:2) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on CuH12(N5O4)2 (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on Zr2H12(N2O7)5 (SG:165) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on CuH12N2(OF2)2 (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on MoH12N3O5F3 (SG:19) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Geochemical and hydrologic characterization of the effluent draining from U12e, U12n, and U12t tunnels, area 12, Nevada Test Site

    SciTech Connect

    Russell, C.E.; Gillespie, L.; Gillespie, D.

    1993-05-01

    The objective of the Tunnel Effluent Characterization Project at the Nevada Test Site was to characterize the tunnel effluents in terms of rate of discharge, pH, temperature, specific conductivity, turbidity, and aqueous chemistry. The parameters were monitored for one year to identify hazardous constituents within the effluent and to characterize temporal variations.

  14. A Multispectrum Analysis of the v(1) band of (HCN)-C-12-N-14: Part I. Intensities, Self-broadening and self-shift Coefficients

    SciTech Connect

    Malathy Devi, V.; Benner, D. Chris; Smith, M H.; Rinsland, Curtis P.; Sharpe, Steven W.; Sams, Robert L.

    2003-12-01

    The infrared spectrum of HCN in the region between 3150 and 3450 cm-1 has been recorded at 0.005 and 0.008 cm-1 resolution using two different Fourier transform spectrometers, the McMath-Pierce Fourier transform spectrometer located at the National Solar Observatory (on Kitt Peak)and the Bruker-120HR Fourier transform spectrometer situated at the Pacific Northwest National Laboratory at Richland, Washington.

  15. Corrective Action Decision Document/Closure Report for Corrective Action Unit 477: Area 12 N-Tunnel Muckpile, Nevada Test Site

    SciTech Connect

    NSTec Environmental Restoration

    2010-03-15

    This Corrective Action Decision Document (CADD)/Closure Report (CR) was prepared by the Defense Threat Reduction Agency (DTRA) for Corrective Action Unit (CAU) 477, N-Tunnel Muckpile. This CADD/CR is consistent with the requirements of the Federal Facility Agreement and Consent Order (FFACO) agreed to by the State of Nevada, the U.S. Department of Energy, and the U.S. Department of Defense. Corrective Action Unit 477 is comprised of one Corrective Action Site (CAS): • 12-06-03, Muckpile The purpose of this CADD/CR is to provide justification and documentation supporting the recommendation for closure with no further action, by placing use restrictions on CAU 477.

  16. Low-temperature Heat Capacities and Thermodynamic Properties of Crystalline 2-Aminopyridinium Benzoate (C12H12N2O2) (s).

    PubMed

    He, Dong-Hua; Di, You-Ying; Dan, Wen-Yan; Liu, Yu-Pu; Wang, Da-Qi

    2010-06-01

    2-Aminopyridinium benzoate was synthesized. Chemical analysis, elemental analysis, and X-ray crystallography were applied to characterize the composition and crystal structure of the compound. The lattice potential energy of the title compound was calculated to be UPOT = 284.297 kJ mol-1. Low-temperature heat capacities of the compound were measured by a precision automatic adiabatic calorimeter over the temperature range from 78 K to 365 K. A polynomial equation of heat capacities against the temperature in the region of 78 K to 365 K was fitted by a least square method. Based on the fitted polynomial equation, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated at intervals of 5 K. According to the synthesis reaction, the standard molar enthalpies of dissolution for the reactants and product in the selected solvent were measured by an isoperibol solution-reaction calorimeter, respectively. Accordingly, the enthalpy change of the synthesis reaction was calculated to be ΔrHom = -(20.016 ± 0.182) kJ mol-1. Finally, the standard molar enthalpy of formation of 2-aminopyridinium benzoate was determined to be ΔfHom = - (365.416 ± 0.961) kJ mol-1 in accordance with Hess law. PMID:24061744

  17. Measurement of the concentration ratio for {sup 13}N and {sup 12}N isotopes at atmospheric pressure by carbon dioxide absorption of diode laser radiation at {approx}2 {mu}m

    SciTech Connect

    Mironchuk, E S; Nikolaev, I V; Ochkin, Vladimir N; Rodionova, S S; Spiridonov, Maksim V; Tskhai, Sergei N

    2009-04-30

    The ratio of {sup 12}NO{sub 2} and {sup 13}CO{sub 2} concentrations in the human exhaled air is measured by the method of diode laser spectroscopy using a three-channel optical scheme and multipass cell. Unlike the previous measurements in the spectral range of {approx}4.3 {mu}m with a resolved rotational structure at low pressure of selected samples, the present measurements are performed in the range of {approx}2 {mu}m, in which weaker absorption bands of CO{sub 2} reside. In this case, it is possible to employ lasers and photodetectors operating at room temperature. The thorough simulation of the spectrum with collisional broadening of lines and employment of regression analysis allow one to take measurements at atmospheric pressure with the accuracy of {approx}0.04%, which satisfies the requirements to medical diagnostics of ulcers. (laser spectroscopy)

  18. [1N,12N]Bis(Ethyl)-cis-6,7-Dehydrospermine: a New Drug for Treatment and Prevention of Cryptosporidium parvum Infection of Mice Deficient in T-Cell Receptor Alpha

    PubMed Central

    Waters, W. R.; Frydman, B.; Marton, L. J.; Valasinas, A.; Reddy, V. K.; Harp, J. A.; Wannemuehler, M. J.; Yarlett, N.

    2000-01-01

    Cryptosporidium parvum infection of T-cell receptor alpha (TCR-α)-deficient mice results in a persistent infection. In this study, treatment with a polyamine analogue (SL-11047) prevented C. parvum infection in suckling TCR-α-deficient mice and cleared an existing infection in older mice. Treatment with putrescine, while capable of preventing infection, did not clear C. parvum from previously infected mice. These findings provide further evidence that polyamine metabolic pathways are targets for new anticryptosporidial chemotherapeutic agents. PMID:10991882

  19. A computational study of adenine, uracil, and cytosine adsorption upon AlN and BN nano-cages

    NASA Astrophysics Data System (ADS)

    Baei, Mohammad T.; Taghartapeh, Mohammad Ramezani; Lemeski, E. Tazikeh; Soltani, Alireza

    Density-functional theory calculations are used to investigate the interaction of Al12N12 and B12N12 clusters with the adenine (A), uracil (U), and cytosine (C) molecules. The current calculations demonstrate that these hybrid adsorbent materials are able to adsorb the adenine, uracil, and cytosine molecules through exothermic processes. Our theoretical results reveal improvement in the adsorption of adenine, uracil, and cytosine on Al12N12 and B12N12. It is observed that B12N12 is highly sensitive to adenine, uracil, and cytosine compared with Al12N12 to serve as a biochemical sensor.

  20. Experimental studies using a low-energy RI beam separator at CNS

    NASA Astrophysics Data System (ADS)

    Teranishi, T.; Kubono, S.; Shimoura, S.; Notani, M.; Yanagisawa, Y.; Michimasa, S.; Ue, K.; Iwasaki, H.; Kurokawa, M.; Satou, Y.; Morikawa, T.; Saito, A.; Baba, H.; Lee, J. H.; Lee, C. S.; Fülöp, Zs.; Kato, S.

    2003-05-01

    Radioactive-ion (RI) beams of 10C, 14O, 12N and 11C with energies low 10 A MeV were produced by using a low-energy in-flight RI beam separator newly constructed by CNS, University of Tokyo. Using the 12N and 11C beams, some resonance states were identified in the proton elastic scattering 12N+p and 11C+p, respectively.

  1. Chen's double sieve, Goldbach's conjecture and the twin prime problem, 2

    NASA Astrophysics Data System (ADS)

    Wu, J.

    For every even integer N, denote by D_{1,2}(N) the number of representations of N as a sum of a prime and an integer having at most two prime factors. In this paper, we give a new lower bound for D_{1,2}(N).

  2. Selective detection of toxic cyanogen gas in the presence of O2, and H2O molecules using a AlN nanocluster

    NASA Astrophysics Data System (ADS)

    Solimannejad, Mohammad; Kamalinahad, Saeedeh; Shakerzadeh, Ehsan

    2016-08-01

    The interaction of cyanogen molecule with Al12N12 nanocage has been studied using density functional theory (DFT) at CAM-B3LYP/6-31+G(d) level. Geometric, electronic structure and natural bond orbitals (NBO) analysis display that adsorption of cyanogen onto exterior surface of Al12N12 is physisorption with adsorption energy (Eads) equal to -55.36 kJ/mol. UV-vis study shows a high intensity peak in 388.9 nm due to interaction of gas with nanocage. It is expected that Al12N12 will be used in designing novel materials for potential applications to detect toxic cyanogen molecule.

  3. Positive periodic solutions of periodic neutral Lotka-Volterra system with state dependent delays

    NASA Astrophysics Data System (ADS)

    Li, Yongkun

    2007-06-01

    By using a fixed point theorem of strict-set-contraction, some new criteria are established for the existence of positive periodic solutions of the following periodic neutral Lotka-Volterra system with state dependent delays where (i,j=1,2,...,n) are [omega]-periodic functions and (i=1,2,...,n) are [omega]-periodic functions with respect to their first arguments, respectively.

  4. Forming heterojunction: an effective strategy to enhance the photocatalytic efficiency of a new metal-free organic photocatalyst for water splitting

    NASA Astrophysics Data System (ADS)

    Li, Hengshuai; Hu, Haiquan; Bao, Chunjiang; Guo, Feng; Zhang, Xiaoming; Liu, Xiaobiao; Hua, Juan; Tan, Jie; Wang, Aizhu; Zhou, Hongcai; Yang, Bo; Qu, Yuanyuan; Liu, Xiangdong

    2016-07-01

    Photocatalytic water splitting is a new technology for the conversion and utilization of solar energy and has a potential prospect. One important aspect of enhancing the photocatalytic efficiency is how to improve the electron-hole separation. Up to now, there is still no ideal strategy to improve the electron-hole separation. In this article, for metal-free organic photocatalysts, we propose a good strategy- forming heterojunction, which can effectively improve the electron-hole separation. We provide a metal-free organic photocatalyst g-C12N7H3 for water splitting. The stability of g-C12N7H3 has been investigated, the X-ray diffraction spectra has been simulated. Using first-principles calculations, we have systematically studied the electronic structure, band edge alignment, and optical properties for the g-C12N7H3. The results demonstrated that g-C12N7H3 is a new organocatalyst material for water splitting. In order to enhance the photocatalytic efficiency, we provided four strategies, i.e., multilayer stacking, raising N atoms, forming g-C9N10/g-C12N7H3 heterojunction, and forming graphene/g-C12N7H3 heterojunction. Our research is expected to stimulate experimentalists to further study novel 2D metal-free organic materials as visible light photocatalysts. Our strategies, especially forming heterojunction, will substantially help to enhance the photocatalytic efficiency of metal-free organic photocatalyst.

  5. A theoretical study on superalkali-doped nanocages: unique inorganic electrides with high stability, deep-ultraviolet transparency, and a considerable nonlinear optical response.

    PubMed

    Sun, Wei-Ming; Li, Xiang-Hui; Wu, Di; Li, Ying; He, Hui-Min; Li, Zhi-Ru; Chen, Jing-Hua; Li, Chun-Yan

    2016-04-25

    By doping an Al12N12 nanocage with superalkali Li3O, a series of Li3O@Al12N12 compounds were theoretically designed and investigated for the first time. Computational results reveal that these species contain diffuse excess electrons, and thus can be regarded as inorganic electrides of a new type. As expected, these proposed electrides possess considerable first hyperpolarizabilities (β0) up to 1.86 × 10(7) au. In particular, the lowest-energy Li3O@Al12N12 exhibits high stability and excellent deep-ultraviolet transparency. Moreover, the effects of superalkali and nanocage subunits on the NLO responses of M3O@Al12N12 (M = Li, Na, K) and Li3O@X12Y12 (X = B, Al; Y = N, P) are systemically investigated. Results show that the respective substitution of Na3O and B12P12 for Li3O and Al12N12 can bring a larger β0 for such electrides. This study may be significant in terms of providing an effective strategy to design thermally stable inorganic electrides as potential high-performance NLO molecules. PMID:27046220

  6. Quantum spin Hall and Z2 metallic states in an organic material

    NASA Astrophysics Data System (ADS)

    Zhao, Bao; Zhang, Jiayong; Feng, Wanxiang; Yao, Yugui; Yang, Zhongqin

    2014-11-01

    Motivated by recently searching for topological states in organic materials as well as successful experimental synthesis of a graphitelike metal-organic framework Ni3(C18H12N6 )2 [Sheberla et al., J. Am. Chem. Soc. 136, 8859 (2014), 10.1021/ja502765n], we systematically investigated the electronic and topological properties of the Ni3(C18H12N6 )2 monolayer using an ab initio method combined with a tight-binding model. Our calculations demonstrate that the material can be in a quantum spin Hall or Z2 metallic state in different electron-doped concentrations, which are experimentally accessible with currently electrostatic gating technologies. The tight-binding model also shows that the real next-nearest-neighbor interaction is essential to drive the Z2 metallic phase in Ni3(C18H12N6 )2-type lattices.

  7. Ordered Semiconducting Nitrogen-Graphene Alloys

    SciTech Connect

    Xiang, H. J.; Huang, B.; Li, Z. Y.; Wei, S. H.; Yang, J. L.; Gong, X. G.

    2012-01-01

    The interaction between substitutional nitrogen atoms in graphene is studied by performing first-principles calculations. The effective nearest-neighbor interaction between nitrogen dopants is found to be highly repulsive because of the strong electrostatic repulsion between nitrogen atoms. This interaction prevents the full nitrogen-carbon phase separation in nitrogen-doped graphene. Interestingly, there are two relatively stable nitrogen-nitrogen pair configurations, whose stability can be attributed to the anisotropy in the charge redistribution induced by nitrogen doping. We reveal two stable, ordered, semiconducting N-doped graphene structures, C{sub 3}N and C{sub 12}N, through the cluster-expansion technique and particle-swarm optimization method. In particular, we show that C{sub 12}N has a direct band gap of 0.98 eV. The heterojunctions between C{sub 12}N and graphene nanoribbons might be a promising basis for organic solar cells.

  8. Prediction of new superhard boron-rich compounds.

    PubMed

    Gao, Faming; Qin, Xiujuan; Wang, Liqin; He, Yunhua; Sun, Guifang; Hou, Li; Wang, Wenyin

    2005-08-11

    Boron solids exhibit a fascinating geometric and electronic structure. The properties of alpha-rhombohedral boron can be significantly changed by the addition of other atomic constituents. It is found that Pauling's bond valence principle plays an important role in designing boron-rich semiconductors. We have designed the novel boron-rich phases B12N2X (X = Zn, Cd, Be) with the boron carbide type structure by combining Pauling's bond valence principle with first-principles techniques. Their energy gaps, bulk moduli, microhardnesses, and total energies have been calculated. The results show that they are new superhard materials and potential semiconductors. It has been elucidated why B12N2 is metallic but B12N2Be is a semiconductor. This should open up new potential areas for predicting novel boron-rich compounds for industrial applications. PMID:16852886

  9. Forming heterojunction: an effective strategy to enhance the photocatalytic efficiency of a new metal-free organic photocatalyst for water splitting.

    PubMed

    Li, Hengshuai; Hu, Haiquan; Bao, Chunjiang; Guo, Feng; Zhang, Xiaoming; Liu, Xiaobiao; Hua, Juan; Tan, Jie; Wang, Aizhu; Zhou, Hongcai; Yang, Bo; Qu, Yuanyuan; Liu, Xiangdong

    2016-01-01

    Photocatalytic water splitting is a new technology for the conversion and utilization of solar energy and has a potential prospect. One important aspect of enhancing the photocatalytic efficiency is how to improve the electron-hole separation. Up to now, there is still no ideal strategy to improve the electron-hole separation. In this article, for metal-free organic photocatalysts, we propose a good strategy- forming heterojunction, which can effectively improve the electron-hole separation. We provide a metal-free organic photocatalyst g-C12N7H3 for water splitting. The stability of g-C12N7H3 has been investigated, the X-ray diffraction spectra has been simulated. Using first-principles calculations, we have systematically studied the electronic structure, band edge alignment, and optical properties for the g-C12N7H3. The results demonstrated that g-C12N7H3 is a new organocatalyst material for water splitting. In order to enhance the photocatalytic efficiency, we provided four strategies, i.e., multilayer stacking, raising N atoms, forming g-C9N10/g-C12N7H3 heterojunction, and forming graphene/g-C12N7H3 heterojunction. Our research is expected to stimulate experimentalists to further study novel 2D metal-free organic materials as visible light photocatalysts. Our strategies, especially forming heterojunction, will substantially help to enhance the photocatalytic efficiency of metal-free organic photocatalyst. PMID:27470223

  10. Forming heterojunction: an effective strategy to enhance the photocatalytic efficiency of a new metal-free organic photocatalyst for water splitting

    PubMed Central

    Li, Hengshuai; Hu, Haiquan; Bao, Chunjiang; Guo, Feng; Zhang, Xiaoming; Liu, Xiaobiao; Hua, Juan; Tan, Jie; Wang, Aizhu; Zhou, Hongcai; Yang, Bo; Qu, Yuanyuan; Liu, Xiangdong

    2016-01-01

    Photocatalytic water splitting is a new technology for the conversion and utilization of solar energy and has a potential prospect. One important aspect of enhancing the photocatalytic efficiency is how to improve the electron-hole separation. Up to now, there is still no ideal strategy to improve the electron-hole separation. In this article, for metal-free organic photocatalysts, we propose a good strategy- forming heterojunction, which can effectively improve the electron-hole separation. We provide a metal-free organic photocatalyst g-C12N7H3 for water splitting. The stability of g-C12N7H3 has been investigated, the X-ray diffraction spectra has been simulated. Using first-principles calculations, we have systematically studied the electronic structure, band edge alignment, and optical properties for the g-C12N7H3. The results demonstrated that g-C12N7H3 is a new organocatalyst material for water splitting. In order to enhance the photocatalytic efficiency, we provided four strategies, i.e., multilayer stacking, raising N atoms, forming g-C9N10/g-C12N7H3 heterojunction, and forming graphene/g-C12N7H3 heterojunction. Our research is expected to stimulate experimentalists to further study novel 2D metal-free organic materials as visible light photocatalysts. Our strategies, especially forming heterojunction, will substantially help to enhance the photocatalytic efficiency of metal-free organic photocatalyst. PMID:27470223

  11. Current progress of nuclear astrophysics experiments at CIAE

    SciTech Connect

    Liu Weiping; Li Zhihong; Su Jun; Bai Xixiang; Wang Youbao; Lian Gang; Guo Bing; Zeng Sheng; Yan Shengquan; Wang Baoxiang; Shu Nengchuan; Chen Yongshou

    2006-07-12

    This paper described current progress of nuclear astrophysical studies using the unstable ion beam facility GIRAFFE. We measured the angular distributions for some low energy reactions, such as 11C(d,n)12N, 8Li(d,p)9Li and 17F(d,n)18Ne in inverse kinematics, and indirectly derived the astrophysical S-factors or reaction rates of 11C(p,{gamma})12N, 8Li(n,{gamma})9Li, 8B(p,{gamma})9C at astrophysically relevant energies.

  12. Indirect measurements of reactions in hot p-p chain and CNO cycles

    SciTech Connect

    Wang, Y. B.; Guo, B.; Jin, S. J.; Li, Z. H.; Binh, D. N.; Hashimoto, H.; Hayakawa, S.; He, J. J.; Hu, J.; Iwasa, N.; Kahl, D. M.; Kubono, S.; Kume, N.; Li, E. T.; Li, Y. J.; Liu, X.; Su, J.; Xu, S. W.; Yamaguchi, H.; Yan, S. Q.; and others

    2012-11-12

    Several reactions have been experimentally studied, including the {sup 12}N(d,n){sup 13}O and the ones induced by the {sup 3}He+{sup 12}C entrance channel. The former was carried out at the CRIB facility of University of Tokyo, aiming to indirectly determine the astrophysical reaction rates of the {sup 12}N(p,{gamma}){sup 13}O reaction. For the {sup 3}He+{sup 12}C entrance channel, many excited states of several nuclei are populated and the angular distribution of each state is being analyzed.

  13. Indirect measurements of reactions in hot p-p chain and CNO cycles

    NASA Astrophysics Data System (ADS)

    Wang, Y. B.; Guo, B.; Jin, S. J.; Li, Z. H.; Binh, D. N.; Hashimoto, H.; Hayakawa, S.; He, J. J.; Hu, J.; Iwasa, N.; Kahl, D. M.; Kubono, S.; Kume, N.; Li, E. T.; Li, Y. J.; Liu, X.; Su, J.; Xu, S. W.; Yamaguchi, H.; Yan, S. Q.; Zeng, S.; Bai, X. X.; Lian, G.; Wang, B. X.; Liu, W. P.

    2012-11-01

    Several reactions have been experimentally studied, including the 12N(d,n)13O and the ones induced by the 3He+12C entrance channel. The former was carried out at the CRIB facility of University of Tokyo, aiming to indirectly determine the astrophysical reaction rates of the 12N(p,γ)13O reaction. For the 3He+12C entrance channel, many excited states of several nuclei are populated and the angular distribution of each state is being analyzed.

  14. 77 FR 60458 - Public Land Order No. 7803; Withdrawal of Public Lands for the Limestone Hills Training Area; MT

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-03

    ... Bureau of Land Management Public Land Order No. 7803; Withdrawal of Public Lands for the Limestone Hills...\\SW\\1/4\\, SE\\1/4\\SW\\1/4\\, and SE\\1/4\\; Sec. 3, lots 1 to 4, inclusive, S\\1/2\\N\\1/2\\, and S\\1/2\\; Sec. 4, lots 1 to 4, inclusive, S\\1/2\\N\\1/2\\, and S\\1/2\\; Sec. 5, lots 1 and 2, S\\1/2\\NE\\1/4\\, and...

  15. 27 CFR 9.159 - Yorkville Highlands.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ..., photoinspected 1975. (c) Boundary. The Yorkville Highlands viticultural area is located in Mendocino County..., T. 12 N., R 11 W., until it reaches the Mendocino-Sonoma County line on the Cloverdale quadrangle map; (6) The boundary then follows the Mendocino-Sonoma county line west, south and west until...

  16. 27 CFR 9.159 - Yorkville Highlands.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ..., photoinspected 1975. (c) Boundary. The Yorkville Highlands viticultural area is located in Mendocino County..., T. 12 N., R 11 W., until it reaches the Mendocino-Sonoma County line on the Cloverdale quadrangle map; (6) The boundary then follows the Mendocino-Sonoma county line west, south and west until...

  17. 27 CFR 9.159 - Yorkville Highlands.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ..., photoinspected 1975. (c) Boundary. The Yorkville Highlands viticultural area is located in Mendocino County..., T. 12 N., R 11 W., until it reaches the Mendocino-Sonoma County line on the Cloverdale quadrangle map; (6) The boundary then follows the Mendocino-Sonoma county line west, south and west until...

  18. 27 CFR 9.159 - Yorkville Highlands.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ..., photoinspected 1975. (c) Boundary. The Yorkville Highlands viticultural area is located in Mendocino County..., T. 12 N., R 11 W., until it reaches the Mendocino-Sonoma County line on the Cloverdale quadrangle map; (6) The boundary then follows the Mendocino-Sonoma county line west, south and west until...

  19. 76 FR 64968 - Notice of Filing of Plats of Survey; South Dakota

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-19

    ... Bureau of Land Management Notice of Filing of Plats of Survey; South Dakota AGENCY: Bureau of Land... Affairs, Aberdeen, South Dakota, and was necessary to determine trust and tribal lands. The lands we surveyed are: Black Hills Meridian, South Dakota T. 12 N., R. 24 E. The plat, in three sheets,...

  20. 75 FR 35970 - Safety Zone; North Jetty, Named the Barview Jetty, Tillamook Bay, OR

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-24

    ... (75 FR 22336). We received one comment on the proposed rule. There were no requests for a public..., longitude 123 57'31'' W; thence heading offshore to latitude 45 34'12'' N, longitude 123 57'58'' W; thence across the tip of the jetty to latitude 45 34'17.5'' N, longitude 123 57'58'' W; thence back inland...

  1. 78 FR 20849 - Special Local Regulations; Marine Events, Potomac River; National Harbor Access Channel, MD

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-08

    ... DHS Department of Homeland Security FR Federal Register NPRM Notice of Proposed Rulemaking A. Public... Act notice regarding our public dockets in the January 17, 2008, issue of the Federal Register (73 FR... 38 47'35'' N, longitude 077 02'22'' W, thence east to latitude 38 47'12'' N, longitude 077 00'58''...

  2. The Case of Design-Oriented Pedagogy: What Students' Digital Video Stories Say about Emerging Learning Ecosystems

    ERIC Educational Resources Information Center

    Anu, Liljeström; Jorma, Enkenberg; Sinikka, Pöllänen

    2014-01-01

    This paper presents a case study in which multi-age students (aged 6-12, N?=?32) in small groups made autonomous inquiries about the phenomenon of winter fishing within the framework of design-oriented pedagogy. The research analyzed storytelling videos that the students produced as learning objects. These videos revealed a picture of the…

  3. 45 CFR 162.1402 - Standards for health care claim status transaction.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... Electronic Data Interchange Technical Report Type 3, April 2008, ASC X12N/005010X212E1. (Incorporated by... paragraph (a) of this section; and (2) The ASC X12 Standards for Electronic Data Interchange Technical Report Type 3—Health Care Claim Status Request and Response (276/277), August 2006, ASC...

  4. 45 CFR 162.1402 - Standards for health care claim status transaction.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... Electronic Data Interchange Technical Report Type 3, April 2008, ASC X12N/005010X212E1. (Incorporated by... paragraph (a) of this section; and (2) The ASC X12 Standards for Electronic Data Interchange Technical Report Type 3—Health Care Claim Status Request and Response (276/277), August 2006, ASC...

  5. 45 CFR 162.1602 - Standards for health care electronic funds transfers (EFT) and remittance advice transaction.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Technical Report Type 3—Health Care Claim Payment/Advice (835), April 2006, ASC X12N/005010X221... for Electronic Data Interchange Technical Report Type 3, “Health Care Claim Payment/Advice (835... same transmission, the ASC X12 Standards for Electronic Data Interchange Technical Report Type...

  6. 45 CFR 162.1602 - Standards for health care electronic funds transfers (EFT) and remittance advice transaction.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... Technical Report Type 3—Health Care Claim Payment/Advice (835), April 2006, ASC X12N/005010X221... for Electronic Data Interchange Technical Report Type 3, “Health Care Claim Payment/Advice (835... same transmission, the ASC X12 Standards for Electronic Data Interchange Technical Report Type...

  7. 45 CFR 162.1602 - Standards for health care electronic funds transfers (EFT) and remittance advice transaction.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... Technical Report Type 3—Health Care Claim Payment/Advice (835), April 2006, ASC X12N/005010X221... for Electronic Data Interchange Technical Report Type 3, “Health Care Claim Payment/Advice (835... same transmission, the ASC X12 Standards for Electronic Data Interchange Technical Report Type...

  8. 45 CFR 162.1402 - Standards for health care claim status transaction.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Electronic Data Interchange Technical Report Type 3, April 2008, ASC X12N/005010X212E1. (Incorporated by... paragraph (a) of this section; and (2) The ASC X12 Standards for Electronic Data Interchange Technical Report Type 3—Health Care Claim Status Request and Response (276/277), August 2006, ASC...

  9. 45 CFR 162.1402 - Standards for health care claim status transaction.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... Electronic Data Interchange Technical Report Type 3, April 2008, ASC X12N/005010X212E1. (Incorporated by... paragraph (a) of this section; and (2) The ASC X12 Standards for Electronic Data Interchange Technical Report Type 3—Health Care Claim Status Request and Response (276/277), August 2006, ASC...

  10. INTERACTIONS BETWEEN FLUORESCENT PSEUDOMONADS AND VA MYCORRHIZAL FUNGI

    EPA Science Inventory

    Cucumber seeds were treated with rifampin-resistant derivatives of Pseudomonas puntida (A12, N1R or R-20) or P. fluorescens (2-79 or 3871) and planted in soils with and without added inoculum of the VA mycorrhizal fungi Glomus intraradices Schenck & Smith or G. etunicatum Becker ...

  11. Effect of a Long-Term In-Service Training Program on Teachers' Beliefs about the Role of Experiments in Physics Education. Research Report

    ERIC Educational Resources Information Center

    Lavonen, Jari; Jauhiainen, Johanna; Koponen, Ismo; Kurki-Suonio, Kaarle

    2004-01-01

    The basis of this paper concerns a one-and-a-half year in-service training program ("In-service Training for Physics Teachers"; 40 ECTS credits) for physics teachers (Grades 7-12, n = 98) designed to enhance both their subject knowledge and pedagogical content knowledge. The role of laboratory experiments in physics education in particular was…

  12. 21 CFR Appendix A to Part 101 - Monier-Williams Procedure (With Modifications) for Sulfites in Food, Center for Food Safety and...

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... accomplish the selective transfer of sulfur dioxide from the sample in boiling aqueous hydrochloric acid to a... hydrochloric acid, 4N.—For each analysis prepare 90 ml of hydrochloric acid by adding 30 ml of concentrated hydrochloric acid (12N) to 60 ml of distilled water. (b) Methyl red indicator—Dissolve 250 mg of methyl red...

  13. 21 CFR Appendix A to Part 101 - Monier-Williams Procedure (With Modifications) for Sulfites in Food, Center for Food Safety and...

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... accomplish the selective transfer of sulfur dioxide from the sample in boiling aqueous hydrochloric acid to a... hydrochloric acid, 4N.—For each analysis prepare 90 ml of hydrochloric acid by adding 30 ml of concentrated hydrochloric acid (12N) to 60 ml of distilled water. (b) Methyl red indicator—Dissolve 250 mg of methyl red...

  14. 21 CFR Appendix A to Part 101 - Monier-Williams Procedure (With Modifications) for Sulfites in Food, Center for Food Safety and...

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... accomplish the selective transfer of sulfur dioxide from the sample in boiling aqueous hydrochloric acid to a... hydrochloric acid, 4N.—For each analysis prepare 90 ml of hydrochloric acid by adding 30 ml of concentrated hydrochloric acid (12N) to 60 ml of distilled water. (b) Methyl red indicator—Dissolve 250 mg of methyl red...

  15. 21 CFR Appendix A to Part 101 - Monier-Williams Procedure (With Modifications) for Sulfites in Food, Center for Food Safety and...

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... accomplish the selective transfer of sulfur dioxide from the sample in boiling aqueous hydrochloric acid to a... hydrochloric acid, 4N.—For each analysis prepare 90 ml of hydrochloric acid by adding 30 ml of concentrated hydrochloric acid (12N) to 60 ml of distilled water. (b) Methyl red indicator—Dissolve 250 mg of methyl red...

  16. 21 CFR Appendix A to Part 101 - Monier-Williams Procedure (With Modifications) for Sulfites in Food, Center for Food Safety and...

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... accomplish the selective transfer of sulfur dioxide from the sample in boiling aqueous hydrochloric acid to a... hydrochloric acid, 4N.—For each analysis prepare 90 ml of hydrochloric acid by adding 30 ml of concentrated hydrochloric acid (12N) to 60 ml of distilled water. (b) Methyl red indicator—Dissolve 250 mg of methyl red...

  17. Creative and Playful Learning: Learning through Game Co-Creation and Games in a Playful Learning Environment

    ERIC Educational Resources Information Center

    Kangas, Marjaana

    2010-01-01

    This paper reports on a pilot study in which children aged 7-12 (N = 68) had an opportunity to study in a novel formal and informal learning setting. The learning activities were extended from the classroom to the playful learning environment (PLE), an innovative playground enriched by technological tools. Curriculum-based learning was intertwined…

  18. In situ 2D-extraction of DNA wheels by 3D through-solution transport.

    PubMed

    Yonamine, Yusuke; Cervantes-Salguero, Keitel; Nakanishi, Waka; Kawamata, Ibuki; Minami, Kosuke; Komatsu, Hirokazu; Murata, Satoshi; Hill, Jonathan P; Ariga, Katsuhiko

    2015-12-28

    Controlled transfer of DNA nanowheels from a hydrophilic to a hydrophobic surface was achieved by complexation of the nanowheels with a cationic lipid (2C12N(+)). 2D surface-assisted extraction, '2D-extraction', enabled structure-persistent transfer of DNA wheels, which could not be achieved by simple drop-casting. PMID:26583486

  19. Multiple-Stage Screening for the Identification of Depression among Adolescents.

    ERIC Educational Resources Information Center

    Ettelson, Rebecca; Laurent, Jeff

    Multiple-stage screening is discussed in the context of the prevention literature. Earlier multiple-stage screening studies are presented to illustrate different goals and methods employed. A multiple-stage screening procedure is described for the identification of depression among high school students. Students in grades 9-12 (N=862) completed a…

  20. 2,2-Dimethyl-5-[(pyridin-2-yl-amino)-methyl-idene]-1,3-dioxane-4,6-dione.

    PubMed

    Shi, Jian-You; Li, Jin-Qi; Tong, Rong-Sheng; Lin, He; Lu, Chen

    2011-01-01

    In the title compound, C(12)H(12)N(2)O(4), the dihedral angle between the pyridine and enamine planes is 3.5 (3)°, while the angle between the dioxanedione (seven atoms) and enamine planes is 4.6 (3)°. The dioxane ring approximates an envelope conformation. PMID:21522947

  1. Sensory Adapted Dental Environments to Enhance Oral Care for Children with Autism Spectrum Disorders: A Randomized Controlled Pilot Study

    ERIC Educational Resources Information Center

    Cermak, Sharon A.; Stein Duker, Leah I.; Williams, Marian E.; Dawson, Michael E.; Lane, Christianne J.; Polido, José C.

    2015-01-01

    This pilot and feasibility study examined the impact of a sensory adapted dental environment (SADE) to reduce distress, sensory discomfort, and perception of pain during oral prophylaxis for children with autism spectrum disorder (ASD). Participants were 44 children ages 6-12 (n = 22 typical, n = 22 ASD). In an experimental crossover design, each…

  2. Who Struggles Most in Making a Career Choice and Why? Findings from a Cross-Sectional Survey of Australian High-School Students

    ERIC Educational Resources Information Center

    Galliott, Natal'ya; Graham, Linda J.; Sweller, Naomi

    2015-01-01

    This article reports findings from an empirical study examining the influence of student background and educational experiences on the development of career choice capability. Secondary school students attending Years 9-12 (N = 706) in New South Wales, Australia, were invited to participate in an online survey that sought to examine factors…

  3. 75 FR 18377 - Supplemental Nutrition Assistance Program, Regulation Restructuring: Issuance Regulation Update...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-12

    ...(e). 274.12(n) 274.1(e). Implementation In accordance with the parameters set forth in 62 FR 55141... (48 FR 29115), this Program is excluded from the scope of Executive Order 12372, which requires... / Monday, April 12, 2010 / Rules and Regulations#0;#0; ] DEPARTMENT OF AGRICULTURE Food and...

  4. Nevada Youth Risk Behavior Survey Report 1999.

    ERIC Educational Resources Information Center

    Soule, Penelope P.; Sharp, Joyce

    This report discusses results of the Nevada Department of Education's fourth statewide administration of the Youth Risk Behavior Survey. Students in grades 9, 10, 11, and 12 (N=2,702) from 75 public high schools participated in the study. Nevada high school students reported behaviors that equaled or exceeded goals established in the national…

  5. Evaluation of Photonic Imaging in the Gastrointestinal Tract of Swine Following Oral Inoculation With Lux-Modified Salmonella typhimurium

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The objective was to evaluate photonic emitting bacteria through different segments of the gastrointestinal tract of swine. Pigs (~ 80 kg) were inoculated orally with 3.1 or 4.1×10^10 CFU of Salmonella typhimurium transformed with plasmid pAK1-lux (S. typh-lux) for a 6 (n=6) or 12 (n=6) h incubatio...

  6. Personal Fables, Narcissism, and Adolescent Adjustment

    ERIC Educational Resources Information Center

    Aalsma, Matthew C.; Lapsley, Daniel K.; Flannery, Daniel J.

    2006-01-01

    The relationship among three personal fables ("omnipotence," "invulnerability," "personal uniqueness"), narcissism, and mental health variables was assessed in a large, cross-sectional sample of adolescents drawn from Grades 6 (n = 94), 8 (n = 223), 10 (n = 142), and 12 (n = 102). Participants responded to the New Personal Fable Scale, the…

  7. Anti-inflammatory drugs. IX. Hydrated diethylammonium (2-(2,6-dichlorophenylamino)phenyl)acetate (HDEA.D.H2O).

    PubMed

    Castellari, C; Comelli, F; Ottani, S

    2001-04-01

    In the solid-state structure of the title compound, C(4)H(12)N(+).C(14)H(10)Cl(2)NO(2)(-).H(2)O, the asymmetric unit contains one cation, one anion and a water molecule. A complex network of hydrogen bonds is present. A comparison is made with the structure of the anhydrous salt. PMID:11313587

  8. Omani Students' Views about Global Warming: Beliefs about Actions and Willingness to Act

    ERIC Educational Resources Information Center

    Ambusaidi, Abdullah; Boyes, Edward; Stanisstreet, Martin; Taylor, Neil

    2012-01-01

    A 44-item questionnaire was designed to determine students' views about how useful various "specific" actions might be in helping to reduce global warming, their willingness to undertake these various actions and the extent to which these two might be related. The instrument was administered to students in Grades 6 to 12 (N = 1532) from 12 schools…

  9. Should We Teach Primary Pupils about Chemical Change?

    ERIC Educational Resources Information Center

    Papageorgiou, George; Grammaticopoulou, Maria; Johnson, Phil Michael

    2010-01-01

    Thirty-six pupils from three sixth-grade classes (ages 11/12, n = 75) in Greece were interviewed pre- and post-intervention in a piece of research on explanations of chemical phenomena. Software concerning chemical phenomena was incorporated in a teaching scheme, where the particle theory was used. After a 13 hour intervention, pupils'…

  10. The Regulating Role of Negative Emotions in Children's Coping with Peer Rejection

    ERIC Educational Resources Information Center

    Goodman, Kimberly L.; Southam-Gerow, Michael A.

    2010-01-01

    This study examined the role of emotions as predictors of children's coping responses to peer rejection experiences. Children ages 7-12 (N = 79) completed questionnaires to assess emotional and coping responses to peer rejection scenarios. This study examined three coping factors specific to peer rejection (positive reappraisal, ruminative coping,…

  11. 27 CFR 9.93 - Mendocino.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...., R. 11 W. located along the Mendocino County/Lake County line; (6) Thence in a straight line in a... County, California. The beginning point is the southeast corner of Section 30, Township 12 North (T. 12 N.), Range 10 West (R. 10 W.) located along the Mendocino County/Sonoma County line in the southeast...

  12. 27 CFR 9.93 - Mendocino.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...., R. 11 W. located along the Mendocino County/Lake County line; (6) Thence in a straight line in a... County, California. The beginning point is the southeast corner of Section 30, Township 12 North (T. 12 N.), Range 10 West (R. 10 W.) located along the Mendocino County/Sonoma County line in the southeast...

  13. 27 CFR 9.93 - Mendocino.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ...., R. 11 W. located along the Mendocino County/Lake County line; (6) Thence in a straight line in a... County, California. The beginning point is the southeast corner of Section 30, Township 12 North (T. 12 N.), Range 10 West (R. 10 W.) located along the Mendocino County/Sonoma County line in the southeast...

  14. 27 CFR 9.93 - Mendocino.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...., R. 11 W. located along the Mendocino County/Lake County line; (6) Thence in a straight line in a... County, California. The beginning point is the southeast corner of Section 30, Township 12 North (T. 12 N.), Range 10 West (R. 10 W.) located along the Mendocino County/Sonoma County line in the southeast...

  15. 27 CFR 9.93 - Mendocino.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...., R. 11 W. located along the Mendocino County/Lake County line; (6) Thence in a straight line in a... County, California. The beginning point is the southeast corner of Section 30, Township 12 North (T. 12 N.), Range 10 West (R. 10 W.) located along the Mendocino County/Sonoma County line in the southeast...

  16. Relations among School Connectedness, Hope, Life Satisfaction, and Bully Victimization

    ERIC Educational Resources Information Center

    You, Sukkyung; Furlong, Michael J.; Felix, Erika; Sharkey, Jill D.; Tanigawa, Diane; Green, Jennifer Greif

    2008-01-01

    This study investigates the role of school connectedness in mediating the relation between students' sense of hope and life satisfaction for three groups: Bullied Victims, Peer Victims, and Nonvictims. Students in grades 5 to 12 (N = 866) completed the California Bully/Victim Scale, School Connectedness Scale, Children's Hope Scale, and Students'…

  17. Inferential Processing among Adequate and Struggling Adolescent Comprehenders and Relations to Reading Comprehension

    ERIC Educational Resources Information Center

    Barth, Amy E.; Barnes, Marcia; Francis, David; Vaughn, Sharon; York, Mary

    2015-01-01

    Separate mixed model analyses of variance were conducted to examine the effect of textual distance on the accuracy and speed of text consistency judgments among adequate and struggling comprehenders across grades 6-12 (n = 1,203). Multiple regressions examined whether accuracy in text consistency judgments uniquely accounted for variance in…

  18. 27 CFR 9.53 - Alexander Valley.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ..., California. From the beginning point at the northeast corner of Section 32, Township 12 North (T. 12 N... degrees, E. 2,800 feet in a straight line to the northeasterly tip of a small lake; (13) Then N. 57...) Then S. 16 degrees, E. 1,800 feet in a straight line to the point on a peak identified as having...

  19. 75 FR 22336 - Safety Zone; North Jetty, Named the Barview Jetty, Tillamook Bay, OR

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-28

    ... FR 3316). Public Meeting We do not now plan to hold a public meeting. But you may submit a request... jetty, named the Barview Jetty, near Tillamook Bay, Oregon has deteriorated to the point that the United...; thence heading offshore to latitude 45 34'12'' N, longitude 123 57'02'' W; thence across the tip of...

  20. The Impact of Science Education Games on Prescription Drug Abuse Attitudes among Teens: A Case Study

    ERIC Educational Resources Information Center

    Klisch, Yvonne; Bowling, Kristi G.; Miller, Leslie M.; Ramos, Miguel A.

    2013-01-01

    Two online science education games, in which players learn about the risks of prescription drug abuse in the context of investigating crimes, were evaluated to determine shifts of prescription drug abuse attitudes attributable to game exposure. High school students from grades 11 and 12 (n = 179) were assigned to one of the games and participated…

  1. 42 CFR 423.160 - Standards for electronic prescribing.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... Identifier (NPI), as defined at 45 CFR 162.406, to identify an individual health care provider to Medicare...) and 1 CFR part 51, the incorporation by reference of certain publications into this section. You may.../271), April 2008, ASC X12N/005010X279. (ii) Authority: Section 1860D-4(e) of the Social Security...

  2. 27 CFR 9.220 - Pine Mountain-Cloverdale Peak.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...—California, 1960, photoinspected 1975; and (3) Highland Springs Quadrangle—California, 1959, photorevised... straight line, crossing onto the Asti map, to the unnamed 2,769-foot peak located south of Salty Spring... Highland Springs map, to the unnamed 2,792-foot peak in the northeast quadrant of section 21, T12N,...

  3. A Cross-Cultural Investigation of Hope in Children and Adolescents.

    ERIC Educational Resources Information Center

    McDermott, Diane; Hastings, Sarah; Gariglietti, Kelli; Callahan, Barbara; Gingerich, Karen; Diamond, Kandi

    Most young children are exuberant and enthusiastic about their futures, believing they can do almost anything. But many eventually lose hope. Efforts to understand at what developmental point children lose hope is the focus of this paper. Students in grades 1 through 12 (N=990) who attend Catholic and public schools were administered the…

  4. 42 CFR 423.160 - Standards for electronic prescribing.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... Identifier (NPI), as defined at 45 CFR 162.406, to identify an individual health care provider to Medicare...) and 1 CFR part 51, the incorporation by reference of certain publications into this section. You may.../271), April 2008, ASC X12N/005010X279. (ii) (Authority: Section 1860D-4(e) of the Social Security...

  5. 42 CFR 423.160 - Standards for electronic prescribing.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... Identifier (NPI), as defined at 45 CFR 162.406, to identify an individual health care provider to Medicare...) and 1 CFR part 51, the incorporation by reference of certain publications into this section. You may.../271), April 2008, ASC X12N/005010X279. (ii) (Authority: Section 1860D-4(e) of the Social Security...

  6. Stability Reliability of the Behavior Rating Profile.

    ERIC Educational Resources Information Center

    Ellers, Robert A.; And Others

    1989-01-01

    Examined test-retest stability of Behavior Rating Profile for students grades l-12 (N=198), parents (N=212), and teachers (N=176) on 3 norm-referenced scales. Found Teacher Rating scale reliable across all grades for screening and eligibility, Parent Rating scale reliable for Grade 3-12 screening and Grade 3-6,ll, and l2, eligibility. Found…

  7. Diogenes in the Tower of Babel: Capitalism in Decline.

    ERIC Educational Resources Information Center

    Slive, David

    1979-01-01

    Responding to Woodward (Journal of Educational Thought; v12 n3 p190-96 Dec 1978), the author disagrees that youth's cynicism is traceable solely to the skepticism evoked by modern science. Rather, he finds it expicable in the unchallenged sway of empiricism--the dominant interpretation of science under capitalism. (Author/SJL)

  8. Gene expression in hypothalamus, liver and adipose tissues and feed intake response to melanocortin-4 receptor (MC4R) agonist in pigs expressing (MC4R) mutations

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Transcriptional profiling was used to identify genes and pathways that responded to intracerebroventricular (ICV) injection of melanocortin-4 receptor (MC4R) agonist, NDP-MSH, in pigs homozygous for the missense mutation in the MC4R, D298 allele (n = 12), N298 allele (n = 12) or heterozygous (n = 12...

  9. Relationship between whole grain and fiber consumption and body weight measures among 6 to 18 year-olds

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The objective of this study was to examine the relationship between whole grain and fiber consumption, and body weight measures in children 6 to 12 (n equals 3868) and adolescents 13 to 18 (n equals 4931) years old. A combined 1999 to 2004 National Health and Nutrition Examination Survey data were a...

  10. EVALUATION OF NANOFILTRATION PRETREATMENTS FOR FLUX LOSS CONTROL

    EPA Science Inventory

    Differing nanofiltration pretreatment approaches for Ohio River water were evaluated withthe intent of producing systems with varying degrees of biological fouling. The membrane feed water was alum-coagulated, settled, and filtered Ohio River water (SF-ORW). Five 1.8" x 12" N...

  11. Genetic variability in mineral content of potato tubers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The contents of eight mineral constituents in the tuber of potato genotypes in Tri-State and Western Regional trials grown at different locations were tested. Tubers were washed free of soil, cleaned with a 1N HCl bath, sliced with skin on, air dried, ground to a fine powder, and wet-ashed in 12 N n...

  12. Spontaneity and Equilibrium II: Multireaction Systems

    ERIC Educational Resources Information Center

    Raff, Lionel M.

    2014-01-01

    The thermodynamic criteria for spontaneity and equilibrium in multireaction systems are developed and discussed. When N reactions are occurring simultaneously, it is shown that G and A will depend upon N independent reaction coordinates, ?a (a = 1,2, ..., N), in addition to T and p for G or T and V for A. The general criteria for spontaneity and…

  13. Explaining Melting and Evaporation below Boiling Point. Can Software Help with Particle Ideas?

    ERIC Educational Resources Information Center

    Papageorgiou, George; Johnson, Philip; Fotiades, Fotis

    2008-01-01

    This paper reports the findings of a study exploring the use of a software package to help pupils understand particulate explanations for melting and evaporation below boiling point. Two matched classes in a primary school in Greece (ages 11-12, n = 16 and 19) were involved in a short intervention of six one hour lessons. Covering the same…

  14. 45 CFR 162.1502 - Standards for enrollment and disenrollment in a health plan transaction.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... health plan transaction. 162.1502 Section 162.1502 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES... in a Health Plan § 162.1502 Standards for enrollment and disenrollment in a health plan transaction... transaction. (a) For the period from October 16, 2003 through March 16, 2009: ASC X12N 834—Benefit...

  15. 76 FR 76689 - Cibola National Forest, Mount Taylor Ranger District, NM, Mount Taylor Combined Exploratory Drilling

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-08

    ... identified for exploration; the Bajillos project area is approximately 2,894 acres and is located in T. 12 N...; 51 holes would be drilled during the first phase of exploration. Secondary- and later phase- drilling... the public has a statutory right to conduct prospecting, exploration, and development activities...

  16. Adolescents' Beliefs about Sources of Help for ADHD and Depression

    ERIC Educational Resources Information Center

    Swords, Lorraine; Hennessy, Eilis; Heary, Caroline

    2011-01-01

    The peer group begins to become a source of support during late childhood and adolescence making it important to understand what type of help young people might suggest to a friend with an emotional or behavioral problem. Three groups of young people participated in the study with average ages of 12 (N = 107), 14 (N = 153) and 16 years (N = 133).…

  17. AGE-RELATED CHANGES IN NEUTRAL SPHINGOMYELIN-SPECIFIC PHOSPHOLIPASE C ACTIVITY IN STRIATUM, HIPPOCAMPUS, AND FRONTAL CORTEX: IMPLICATION FOR SENSITIVITY TO STRESS AND INFLAMMATION

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Previous studies show the enrichment of mammalian brain with neutral sphingomyelin specific phospholipase C (ceramide-phosphocholine phosphodiesterase, EC 3.1.4.12; N-Sase). The objective of this study was to evaluate the subcellular N-Sase activity in striatum, hippocampus, and frontal cortex. Resu...

  18. Spatial Ability for STEM Domains: Aligning over 50 Years of Cumulative Psychological Knowledge Solidifies Its Importance

    ERIC Educational Resources Information Center

    Wai, Jonathan; Lubinski, David; Benbow, Camilla P.

    2009-01-01

    The importance of spatial ability in educational pursuits and the world of work was examined, with particular attention devoted to STEM (science, technology, engineering, and mathematics) domains. Participants were drawn from a stratified random sample of U.S. high schools (Grades 9-12, N = 400,000) and were tracked for 11+ years; their…

  19. 45 CFR 162.1702 - Standards for health plan premium payments transaction.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... March 16, 2009: The ASC X12N 820—Payroll Deducted and Other Group Premium Payment for Insurance Products, Version 4010, May 2000, Washington Publishing Company, 004010X061, and Addenda to Payroll Deducted and... ASC X12 Standards for Electronic Data Interchange Technical Report Type 3—Payroll Deducted and...

  20. Validation of the Social and Emotional Health Survey for Five Sociocultural Groups: Multigroup Invariance and Latent Mean Analyses

    ERIC Educational Resources Information Center

    You, Sukkyung; Furlong, Michael; Felix, Erika; O'Malley, Meagan

    2015-01-01

    Social-emotional health influences youth developmental trajectories and there is growing interest among educators to measure the social-emotional health of the students they serve. This study replicated the psychometric characteristics of the Social Emotional Health Survey (SEHS) with a diverse sample of high school students (Grades 9-12; N =…

  1. SU-C-204-07: The Production of Short-Lived Positron Emitters in Proton Therapy

    SciTech Connect

    Buitenhuis, H J T; Dendooven, P; Biegun, A K; Goethem, M-J van; Graaf, E R van der; Brandenburg, S; Diblen, F

    2015-06-15

    Purpose: To investigate the production and effect of short-lived positron emitters when using PET for in-vivo range verification during a proton therapy irradiation. Methods: The integrated production of short-lived positron emitters in the stopping of 55 MeV protons was measured in water, carbon, phosphorus and calcium targets. The experimental production rates are used to calculate the production on PMMA and a representative set of 4 tissue materials. The number of decays integrated over an irradiation in these materials is calculated as function of the duration of the irradiation, considering irradiations with the same total number of protons. Results: The most copiously produced short-lived nuclides and their production rates relative to the relevant long-lived nuclides are: 12-N (T1/2 = 11 ms) on carbon (9.5% of the 11-C production), 29-P (T1/2 = 4.1 s) on phosphorus (20% of the 30-P production) and 38m-K (T1/2 = 0.92 s) on calcium (113% of the 38g-K production). No short-lived nuclides are produced on water. The most noticeable Result is that for an irradiation in (carbon-rich) adipose tissue, 12-N will dominate the PET image up to an irradiation duration of 70 s. On bone tissue, 15-O dominates over 12-N after 7–15 s (depending on the carbon-to-oxygen ratio). Conclusions: The presence of 12-N needs to be considered in PET imaging during proton beam irradiations as, depending on tissue composition and PET scanning protocol, it may noticeably deteriorate image quality due to the large positron range blurring. The results presented warrant investigations into the energy-dependent production of 12-N, 29-P and 38m-K and their effect on PET imaging during proton irradiations.

  2. Short-lived positron emitters in beam-on PET imaging during proton therapy

    NASA Astrophysics Data System (ADS)

    Dendooven, P.; Buitenhuis, H. J. T.; Diblen, F.; Heeres, P. N.; Biegun, A. K.; Fiedler, F.; van Goethem, M.-J.; van der Graaf, E. R.; Brandenburg, S.

    2015-12-01

    The only method for in vivo dose delivery verification in proton beam radiotherapy in clinical use today is positron emission tomography (PET) of the positron emitters produced in the patient during irradiation. PET imaging while the beam is on (so called beam-on PET) is an attractive option, providing the largest number of counts, the least biological washout and the fastest feedback. In this implementation, all nuclides, independent of their half-life, will contribute. As a first step towards assessing the relevance of short-lived nuclides (half-life shorter than that of 10C, T1/2  =  19 s) for in vivo dose delivery verification using beam-on PET, we measured their production in the stopping of 55 MeV protons in water, carbon, phosphorus and calcium The most copiously produced short-lived nuclides and their production rates relative to the relevant long-lived nuclides are: 12N (T1/2  =  11 ms) on carbon (9% of 11C), 29P (T1/2  =  4.1 s) on phosphorus (20% of 30P) and 38mK (T1/2  =  0.92 s) on calcium (113% of 38gK). No short-lived nuclides are produced on oxygen. The number of decays integrated from the start of an irradiation as a function of time during the irradiation of PMMA and 4 tissue materials has been determined. For (carbon-rich) adipose tissue, 12N dominates up to 70 s. On bone tissue, 12N dominates over 15O during the first 8-15 s (depending on carbon-to-oxygen ratio). The short-lived nuclides created on phosphorus and calcium provide 2.5 times more beam-on PET counts than the long-lived ones produced on these elements during a 70 s irradiation. From the estimated number of 12N PET counts, we conclude that, for any tissue, 12N PET imaging potentially provides equal to superior proton range information compared to prompt gamma imaging with an optimized knife-edge slit camera. The practical implementation of 12N PET imaging is discussed.

  3. Confinement induced binding of noble gas atoms

    SciTech Connect

    Khatua, Munmun; Pan, Sudip; Chattaraj, Pratim K.

    2014-04-28

    The stability of Ng{sub n}@B{sub 12}N{sub 12} and Ng{sub n}@B{sub 16}N{sub 16} systems is assessed through a density functional study and ab initio simulation. Although they are found to be thermodynamically unstable with respect to the dissociation of individual Ng atoms and parent cages, ab initio simulation reveals that except Ne{sub 2}@B{sub 12}N{sub 12} they are kinetically stable to retain their structures intact throughout the simulation time (500 fs) at 298 K. The Ne{sub 2}@B{sub 12}N{sub 12} cage dissociates and the Ne atoms get separated as the simulation proceeds at this temperature but at a lower temperature (77 K) it is also found to be kinetically stable. He-He unit undergoes translation, rotation and vibration inside the cavity of B{sub 12}N{sub 12} and B{sub 16}N{sub 16} cages. Electron density analysis shows that the He-He interaction in He{sub 2}@B{sub 16}N{sub 16} is of closed-shell type whereas for the same in He{sub 2}@B{sub 12}N{sub 12} there may have some degree of covalent character. In few cases, especially for the heavier Ng atoms, the Ng-N/B bonds are also found to have some degree of covalent character. But the Wiberg bond indices show zero bond order in He-He bond and very low bond order in cases of Ng-N/B bonds. The energy decomposition analysis further shows that the ΔE{sub orb} term contributes 40.9% and 37.3% towards the total attraction in the He{sub 2} dimers having the same distances as in He{sub 2}@B{sub 12}N{sub 12} and He{sub 2}@B{sub 16}N{sub 16}, respectively. Therefore, confinement causes some type of orbital interaction between two He atoms, which akins to some degree of covalent character.

  4. Indirect measurements of nuclear astrophysics reactions at CIAE

    SciTech Connect

    Liu Weiping; Li Zhihong; Bai Xixiang; Wang Youbao; Lian Gang; Guo Bing; Zeng Sheng; Yan Shengquan; Wang Baoxiang; Su Jun; Shu Nengchuan; Chen Yongshou

    2006-11-02

    This paper described the nuclear astrophysical studies using the unstable ion beam facility GIRAFFE, by indirect measurements. We measured the angular distributions for some single proton or neutron transfer reactions, such as 7Be(d,n)8B, 11C(d,n)12N, 8Li(d,n)9Be, 8Li(d,p)9Li and 13N(d,n)14O in inverse kinematics, and derived the astrophysical S-factors or reaction rates of 7Be(p,{gamma})8B, 11C(p,{gamma})12N, 8Li(n,{gamma})9Li, 13N(p,{gamma})14O by asymptotic normalization coefficient, spectroscopic factor, and R-matrix approach at astrophysically relevant energies.

  5. The electronic and structural properties of BN and BP nano-cages interacting with OCN-: A DFT study

    NASA Astrophysics Data System (ADS)

    Soltani, Alireza; Baei, Mohammad T.; Mirarab, Mehdi; Sheikhi, Masoome; Tazikeh Lemeski, E.

    2014-10-01

    The adsorption of OCN- (cyanato anion) on boron nitride (B12N12 and B16N16) and boron phosphide nano-cages (B12P12 and B16P16) in terms of energetic, geometric, and electronic properties are studied using density functional theory calculations. Our study results indicated that the first OCN- strongly prefers to be adsorbed from its N atom upon B atoms of the nano-cages than the O atoms of OCN-. These findings have been rationalized using frontier molecular orbitals and total electron density plots. The energy gap of the B12P12 is significantly reduced upon the adsorption of OCN- compared to B12N12, thus leading to the increase in electrical conductance of nano-cage.

  6. Comparison of methods to determine degree of pyritization

    NASA Astrophysics Data System (ADS)

    Leventhal, Joel; Taylor, Cliff

    1990-09-01

    Degree of pyritization (DOP) is a measure of the ratio pyrite iron/(pyrite iron + reactive iron) that can be related to the depositional environment of a sediment. Several methods of DOP determination have been used but not systematically evaluated. The determination/extraction of reactive (usually acid soluble) iron is critical to the DOP determination, and the method generally used is reaction of the sample for 1 to 2 min with hot 12 N HCl. We present results for timed experiments with 1 N, 6 N, and 12 N HCl on three different samples. We also show that a 24 h room temperature treatment with 1 N HCl is equivalent to the 24 h treatment with Na-dithionite. Experiments with several suites of samples show that all three of these methods leach comparable amounts of iron; therefore, the DOP values are similar. However, the 1 N HCl, 24 h procedure is preferable because laboratory handling is less and easier.

  7. Hybrid baryons in QCD

    SciTech Connect

    Dudek, Jozef J.; Edwards, Robert G.

    2012-03-21

    In this study, we present the first comprehensive study of hybrid baryons using lattice QCD methods. Using a large basis of composite QCD interpolating fields we extract an extensive spectrum of baryon states and isolate those of hybrid character using their relatively large overlap onto operators which sample gluonic excitations. We consider the spectrum of Nucleon and Delta states at several quark masses finding a set of positive parity hybrid baryons with quantum numbers $N_{1/2^+},\\,N_{1/2^+},\\,N_{3/2^+},\\, N_{3/2^+},\\,N_{5/2^+},\\,$ and $\\Delta_{1/2^+},\\, \\Delta_{3/2^+}$ at an energy scale above the first band of `conventional' excited positive parity baryons. This pattern of states is compatible with a color octet gluonic excitation having $J^{P}=1^{+}$ as previously reported in the hybrid meson sector and with a comparable energy scale for the excitation, suggesting a common bound-state construction for hybrid mesons and baryons.

  8. Two novel organic-inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium.

    PubMed

    Campos-Gaxiola, José J; Arredondo Rea, Susana P; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana

    2015-01-01

    Two organic-inorganic hybrid compounds have been prepared by the combination of the 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium cation with perhalometallate anions to give 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II), (C12H12N2)[CoCl4], (I), and 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridozincate(II), (C12H12N2)[ZnCl4], (II). The compounds have been structurally characterized by single-crystal X-ray diffraction analysis, showing the formation of a three-dimensional network through X-H...ClnM(-) (X = C, N(+); n = 1, 2; M = Co(II), Zn(II)) hydrogen-bonding interactions and π-π stacking interactions. The title compounds were also characterized by FT-IR spectroscopy and thermogravimetric analysis (TGA). PMID:25567575

  9. Gas-phase electronic transitions of C₁₇H₁₂N⁺ at 15 K.

    PubMed

    Hardy, F-X; Rice, C A; Gause, O; Maier, J P

    2015-03-01

    The electronic spectrum of C17H12N(+), phenanthrene with a side chain, was measured in the gas phase at a vibrational and rotational temperature of ∼15 K in an ion trap using a resonant multiphoton dissociation technique. The C17H12N(+) structure was produced in a chemical ionization source and identified by a comparison with theoretical calculations of stable structures and excitation energies. The (3), (2), (1) (1)A ← X (1)A electronic transitions of this nitrogen-containing aromatic species with 30 atoms have origin band maxima at 23,586 ± 1 cm(-1), 16,120 ± 50 cm(-1), and 14,519 ± 30 cm(-1). Distinct vibrational structure in the (3) (1)A state is observed, and assignments are made. Astronomical aspects are considered. PMID:25264926

  10. Ambient carbon dioxide capture by different dimensional AlN nanostructures: A comparative DFT study

    NASA Astrophysics Data System (ADS)

    Esrafili, Mehdi D.; Nurazar, Roghaye; Nematollahi, Parisa

    2016-08-01

    Strong binding of an isolated carbon dioxide molecule over three different aluminium nitride (AlN) nanostructures (nanocage, nanotube and nanosheet) is verified using density functional calculations. Equilibrium geometries, electronic properties, adsorption energies and thermodynamic stability of each adsorbed configuration are also identified. Optimized configurations are shown at least one corresponding physisorption and chemisorption of CO2 molecule over different AlN nanostructures. Also, the effect of chirality on the adsorption of CO2 molecule is studied over two different finite-sized zigzag (6,0) and armchair (4,4) AlN nanotubes. It is found that the electronic properties of the Al12N12 nanocage are more sensitive to the CO2 molecule than other AlN nanostructures. This indicates the significant potential of Al12N12 nanocage toward the CO2 adsorption, fixation and catalytic applications in contrast to other AlN nanostructures.

  11. Theoretical calculations for neutrino-induced charged current reactions in sup 12 C and recent experimental results

    SciTech Connect

    Mintz, S.L. ); Pourkaviani, M. )

    1989-12-01

    Theoretical calculations are presented for the reaction {nu}{sub {ital e}}+{sup 12}C{r arrow}{sup 12}N{sub g.s.} +{ital e}{sup {minus}} for {ital E}{sub {nu}} from threshold to 135 MeV, for the reaction {nu}{sub {mu}}+{sup 12}C{r arrow}{sup 12}N{sub g.s.} +{mu}{sup {minus}}, and the corresponding antineutrino reaction for {ital E}{sub {nu}} from threshold to 160 MeV. Use is made of updated form factors based on more recent data for {ital e}{sup {minus}}+{sup 12}C{r arrow}{sup 12}C{sup *}+{ital e}{prime} {minus} and {gamma}+{sup 12}C{r arrow}{sup 12}C{sup *}. The recent neutrino reaction experiments are discussed in light of these calculations.

  12. Scattering in one dimension: The coupled Schrödinger equation, threshold behaviour and Levinson's theorem

    NASA Astrophysics Data System (ADS)

    Kiers, K. A.; van Dijk, W.

    1996-12-01

    We formulate scattering in one dimension due to the coupled Schrödinger equation in terms of the S matrix, the unitarity of which leads to constraints on the scattering amplitudes. Levinson's theorem is seen to have the form η(0)=π(nb+1/2n-1/2N), where η(0) is the phase of the S matrix at zero energy, nb the number of bound states with nonzero binding energy, n the number of half-bound states, and N the number of coupled equations. In view of the effects due to the half-bound states, the threshold behaviour of the scattering amplitudes is investigated in general, and is also illustrated by means of particular potential models.

  13. Risk of regional recurrence in triple-negative breast cancer patients: a Dutch cohort study.

    PubMed

    van Roozendaal, Lori M; Smit, Leonie H M; Duijsens, Gaston H N M; de Vries, Bart; Siesling, Sabine; Lobbes, Marc B I; de Boer, Maaike; de Wilt, Johannes H W; Smidt, Marjolein L

    2016-04-01

    Triple-negative breast cancer is associated with early recurrence and low survival rates. Several trials investigate the safety of a more conservative approach of axillary treatment in clinically T1-2N0 breast cancer. Triple-negative breast cancer comprises only 15 % of newly diagnosed breast cancers, which might result in insufficient power for representative results for this subgroup. We aimed to provide a nationwide overview on the occurrence of (regional) recurrences in triple-negative breast cancer patients with a clinically T1-2N0 status. For this cohort study, 2548 women diagnosed between 2005 and 2008 with clinically T1-2N0 triple-negative breast cancer were selected from the Netherlands Cancer Registry. Follow-up data until 2014 were analyzed using Kaplan-Meier. Sentinel lymph node biopsy was performed in 2486 patients, and (completion) axillary lymph node dissection in 562 patients. Final pathologic nodal status was pN0 in 78.5 %, pN1mi in 4.5 %, pN1 in 12.3 %, pN2-3 in 3.6 %, and pNx in 1.1 %. During a follow-up of 5 years, regional recurrence occurred in 2.9 %, local recurrence in 4.2 % and distant recurrence in 12.2 %. Five-year disease-free survival was 78.7 %, distant disease-free survival 80.5 %, and 5-year overall survival 82.3 %. Triple-negative clinically T1-2N0 breast cancer patients rarely develop a regional recurrence. Their disease-free survival is more threatened by distant recurrence, affecting their overall survival. Consequently, it seems justified to include triple-negative breast cancer patients in randomized controlled trials investigating the safety of minimizing axillary staging and treatment. PMID:27013474

  14. SEPARATING HAFNIUM FROM ZIRCONIUM

    DOEpatents

    Lister, B.A.J.; Duncan, J.F.

    1956-08-21

    A dilute aqueous solution of zirconyl chloride which is 1N to 2N in HCl is passed through a column of a cation exchange resin in acid form thereby absorbing both zirconium and associated hafnium impurity in the mesin. The cation exchange material with the absorbate is then eluted with aqueous sulfuric acid of a O.8N to 1.2N strength. The first portion of the eluate contains the zirconium substantially free of hafnium.

  15. 2,2′-Dimethyl-4,4′-bipyridine

    PubMed Central

    Ibragimov, Bahtier; Weber, Edwin; Peukert, Max; Fischer, Conrad; Seichter, Wilhelm

    2008-01-01

    In the crystal structure of the title compound, C12H12N2, the mol­ecule is twisted around the central C—C bond, with a dihedral angle of 8.32 (5)° between the mean planes of the pyridyl rings. The crystal structure is stabilized by arene stacking inter­actions, with a distance of 3.81 (1) Å between the ring centroids. PMID:21202918

  16. The predicted abundances of deuterium-bearing gases in the atmospheres of Jupiter and Saturn

    NASA Technical Reports Server (NTRS)

    Fegley, Bruce, Jr.; Prinn, Ronald G.

    1988-01-01

    The first set of comprehensive thermochemical equilibrium and chemical kinetic calculations on the chemistry of deuterium-bearing gases in the deep atmospheres of Jupiter and Saturn is presented. The sensitivity of the results to variations in elemental and isotopic abundances is studied. Isotopic fractionation effects in the C-13/C12, N-15/N-14, and O-18/O-16 ratios in nonequilibrium species such as CO, CO2, HCN, and N2 are briefly considered.

  17. 2-[(4-Methoxy­phen­yl)imino­meth­yl]-4-nitro­phenol

    PubMed Central

    Kılıç, Işın; Ağar, Erbil; Erşahin, Ferda; Işık, Şamil

    2009-01-01

    The title Schiff base compound, C14H12N2O4, is in an inter­mediate state between NH and OH tautomers. Apart from the intra­molecular O—H⋯N hydrogen bond, there are inter­molecular C—H⋯O hydrogen bonds, generating centrosymmetric R 2 2(18) and R 2 2(14) dimers. PMID:21582470

  18. On the Equations of Conformally-Projective Harmonic Mappings

    SciTech Connect

    Hinterleitner, Irena; Mikes, Josef

    2007-11-14

    In this paper we study compositions of conformal and geodesic diffeomorphisms, which are at the same time harmonic mappings (conformally-projective harmonic mappings). The equations of conformally-projective harmonic mappings are shown. We obtained the fundamental equations of these mappings in form of a system of differential equations of Cauchy type. Solutions of this system depend on at most (1/2)(n+1)(n+2)-(n-2) independent parameters.

  19. The DOS 1 neutron dosimetry experiment at the HB-4-A key 7 surveillance site on the HFIR pressure vessel

    SciTech Connect

    Farrell, K.; Kam, F.B.; Baldwin, C.A.

    1994-01-01

    A comprehensive neutron dosimetry experiment was made at one of the prime surveillance sites at the High Flux Isotope Reactor (HFIR) pressure vessel to aid radiation embrittlement studies of the vessel and to benchmark neutron transport calculations. The thermal neutron flux at the key 7, position 5 site was found, from measurements of radioactivation of four cobalt wires and four silver wires, to be 2.4 {times} 10{sup 12} n{center_dot}m{sup {minus}2}{center_dot}s{sup {minus}1}. The thermal flux derived from two helium accumulation monitors was 2.3 {times} 10{sup 12} n{center_dot}m{sup {minus}2}{center_dot}{sup {minus}1}. The thermal flux estimated by neutron transport calculations was 3.7 {times} 10{sup 12} n{center_dot}m{sup {minus}2}s{sup {minus}1}. The fast flux, >1 MeV, determined from two nickel activation wires, was 1.5 {times} 10{sup 12} n{center_dot}m{sup {minus}2}{center_dot}s{sup {minus}1}, in keeping with values obtained earlier from stainless steel surveillance monitors and with a computed value of 1.2 {times} 10{sup 13} n{center_dot}m{sup {minus}2}{center_dot}{sup {minus}1}. The fast fluxes given by two reaction-product-type monitors, neptunium-237 and beryllium, were 2.6 {times} 10{sup 13} n{center_dot}m{sup {minus}2}{center_dot}s {sup {minus}1} and 2.2 {times} 10{sup 13} n{center_dot}m{sup {minus}2}s{sup {minus}1}, respectively. Follow-up experiments indicate that these latter high values of fast flux are reproducible but are false; they are due to the creation of greater levels of reaction products by photonuclear events induced by an exceptionally high ratio of gamma flux to fast neutron flux at the vessel.

  20. 76 FR 23189 - Safety Zone; Pensacola Bay; Pensacola, FL

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-26

    ... zone for a portion of Pensacola Bay including all waters represented by positions 30 20'40.73'' N 087 17'19.73'' W, 30 20'11.12'' N 087 17'20.31'' W, 30 20'41.51'' N 087 15'01.15'' W, and 30 20'11.76'' N... zone for a portion of Pensacola Bay including all waters represented by positions 30 20'40.73'' N...

  1. The Steep Nekhoroshev's Theorem

    NASA Astrophysics Data System (ADS)

    Guzzo, M.; Chierchia, L.; Benettin, G.

    2016-03-01

    Revising Nekhoroshev's geometry of resonances, we provide a fully constructive and quantitative proof of Nekhoroshev's theorem for steep Hamiltonian systems proving, in particular, that the exponential stability exponent can be taken to be {1/(2nα_1\\cdotsα_{n-2}}) ({α_i}'s being Nekhoroshev's steepness indices and {n ≥ 3} the number of degrees of freedom). On the base of a heuristic argument, we conjecture that the new stability exponent is optimal.

  2. 3-Oxo-3-(piperidin-1-yl)propane­nitrile

    PubMed Central

    Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.

    2012-01-01

    In the title compound, C8H12N2O, the piperidine ring exhibits a chair conformation and its least-squares plane (all atoms) makes a dihedral angle of 32.88 (12)° with the propane­nitrile unit (r.m.s. deviation = 0.001 Å). In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains along [001]. PMID:22969610

  3. 2-Acetyl­hydrazono-2-phenyl­aceto­hydrazide

    PubMed Central

    Feng, Bai-Cheng; Yang, Zhi; Yi, Xu

    2008-01-01

    The title compound, C10H12N4O2, was prepared as an inter­mediate for the synthesis of metamitron. The benzene ring plane forms dihedral angles of 66.0 (1) and 3.5 (5)° with the hydrazine plane and the acetyl­imino plane, respectively. The crystal structure involves inter­molecular N—H⋯O hydrogen bonds. PMID:21201803

  4. The Newest and the Best

    ERIC Educational Resources Information Center

    School Management, 1974

    1974-01-01

    The new Freedom High School at Morganton, North Carolina, is a flowing, curvilinear building that houses both general and occupational educational curriculums. (For more information on this facility see AS&U, v46 n6, pp22-24, Feb '74; CEFP Journal, v12 n1, pp4-6, Jan-Feb '74; and Building Design and Construction, v15 n3, pp54-55 Mar '74.) (JF)

  5. Bis(1-tert-butyl-1H-imidazole-κN3)dichloridocobalt(II).

    PubMed

    Herdtweck, Eberhardt; Zeller, Alexander; Strassner, Thomas

    2012-06-01

    In the crystal structure of the title compound, [CoCl(2)(C(7)H(12)N(2))(2)], molecular units are formed by coordination of the unsubstituted N atoms of two tert-butyl-substituted imidazole molecules and two chloride ligands, which distinguishes the complex from structures of imidazolium-based dications with tetrachloridocobaltate dianions. There are two crystallographically independent molecules in the asymmetric unit, related by a noncrystallographic inversion centre. PMID:22669189

  6. 21 CFR 189.175 - P-4000.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false P-4000. 189.175 Section 189.175 Food and Drugs....175 P-4000. (a) P-4000 is the chemical 5-nitro-2-n-propoxyaniline, C9H12N2O3. It is a synthetic... containing any added or detectable level of P-4000 is deemed to be adulterated in violation of the act...

  7. Geometric and electronic structures of B12C6N6 fullerene

    NASA Astrophysics Data System (ADS)

    Li, Fei; Zhang, Yan; Chen, Hongshan

    2014-02-01

    An electron deficient fullerene B12C6N6 is studied by using ab initio calculations. The structure is generated by replacing N with C in the B12N12 cage to ensure only B-C and B-N bonds are formed. All the possible isomers are optimized and the low energy structures are determined. C and N atoms in the low energy isomers are inclined to segregate and form B2C2 and B2N2 squares. Natural bond analysis shows that the atomic orbitals of B, C and N in this cage hybrid approximately in sp2.3 and then form B-C and B-N bonds. The 2p orbitals perpendicular to the cage surface are partially occupied and the molecular orbitals formed by these orbitals are highly delocalized. The natural charge on N is about -1.17 in both B12N12 and B12C6N6, and the charge on C is -0.72 to -0.60. The molecular orbital compositions show that the B-N bonds are the same in B12N12 and B12C6N6, and the B-C bonds possess stronger covalent character. The HOMO of B12C6N6 is formed by 2p of B and C, and the LUMO is formed by 2p of C. The energy gap of C24, B12N12 and B12C6N6 is 2.52, 6.84 and 3.22 eV, respectively.

  8. Calculation of Rydberg energy levels for the francium atom

    NASA Astrophysics Data System (ADS)

    Huang, Shi-Zhong; Chu, Jin-Min

    2010-06-01

    Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of the np2Po1/2 (n = 7-50) and np2Po3/2 (n = 7-50) spectrum series for the francium atom are calculated. The calculated results are in excellent agreement with the 48 measured levels, and 40 energy levels for highly excited states are predicted.

  9. 1-Furoyl-3-methyl-3-phenyl­thio­urea

    PubMed Central

    Pérez, Hiram; Mascarenhas, Yvonne; Estévez-Hernández, Osvaldo; Santos Jr, Sauli; Duque, Julio

    2008-01-01

    The title compound, C13H12N2O2S, crystallizes with two independent mol­ecules in the asymmetric unit. The two mol­ecules differ in the conformation of the thio­carbonyl and carbonyl groups, and show the typical geometric parameters of substituted thio­urea derivatives. The crystal structure is mainly stabilized by inter­molecular N—H⋯O hydrogen bonding. PMID:21201532

  10. 1-Benzyl-3-(2-furo­yl)thio­urea

    PubMed Central

    Pérez, Hiram; Mascarenhas, Yvonne; Estévez-Hernández, Osvaldo; Santos Jr, Sauli; Duque, Julio

    2008-01-01

    In the title compound, C13H12N2O2S, the dihedral angle between the two aromatic ring planes is 87.52 (12)°. The mol­ecule shows an intra­molecular N—H⋯O hydrogen bond. The crystal structure is stabilized by inter­molecular N—H⋯S and C—H⋯O hydrogen bonding. PMID:21202087

  11. Curvature and Tachibana numbers

    SciTech Connect

    Stepanov, Sergey E

    2011-07-31

    The aim of this paper is to define the rth Tachibana number t{sub r} of an n-dimensional compact oriented Riemannian manifold as the dimension of the space of conformally Killing r-forms, for r=1,2,...,n-1. We also describe properties of these numbers, by analogy with properties of the Betti numbers b{sub r} of a compact oriented Riemannian manifold. Bibliography: 25 titles.

  12. A new class of realizations of the lie algebra gl(n + 1, ℓ)

    NASA Astrophysics Data System (ADS)

    Burdík, Č.

    1986-11-01

    In this paper, we apply the previously published method (J. Phys. A 18(1985) 3101) to the construction of boson realizations for Lie algebras gl(n + 1, ℓ). These realizations are expressed by means of certain recurrent formulae in terms of r(n + 1 - r) canonical pairs and generators of the subalgebra gl(r, ℓ) + gl(n + 1 - r, ℓ), where r = 1,2,..., n. They are skew-Hermitean and Schurean.

  13. KCC2-mediated regulation of respiration-related rhythmic activity during postnatal development in mouse medulla oblongata.

    PubMed

    Okabe, Akihito; Shimizu-Okabe, Chigusa; Arata, Akiko; Konishi, Shiro; Fukuda, Atsuo; Takayama, Chitoshi

    2015-03-19

    GABA acts as inhibitory neurotransmitter in the adult central nervous system but as excitatory neurotransmitter during early postnatal development. This shift in GABA's action from excitation to inhibition is caused by a decrease in intracellular chloride concentration ([Cl(-)]i), which in turn is caused by changes in the relative expression levels of the K(+)-Cl(-) co-transporter (KCC2) and the Na(+), K(+)-2Cl(-) co-transporter (NKCC1) proteins. Previous studies have used slices containing the medullary pre-Bötzinger complex (pre-BötC) to record respiration-related rhythmic activity (RRA) from the hypoglossal nucleus (12 N). The role of GABAergic transmission in the regulation of medullary RRA neonatally, however, is yet to be determined. Here, we examined how GABA and chloride co-transporters contribute to RRA during development in the 12 N where inspiratory neurons reside. We recorded extracellular RRA in medullary slices obtained from postnatal day (P) 0-7 mice. RRA was induced by soaking slices in artificial cerebrospinal fluid (aCSF) containing 8mM-K(+). Application of GABA significantly increased the frequency of RRA after P3, whereas application of a KCC2 blocker (R (+)-[(2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-indenyl-5-yl)oxy]acetic acid (DIOA)) significantly decreased the frequency of RRA after P1. In addition, dense KCC2 immunolabeling was seen in the superior longitudinalis (SL) of the 12 N, which is responsible for retraction of the tongue, from P0 and P7. These results indicate that GABA administration can increase RRA frequency during the first week following birth. This in turn suggests that decreasing [Cl(-)]i levels caused by increasing KCC2 levels in the 12 N could play important roles in regulating the frequency of RRA during development. PMID:25596421

  14. 75 FR 74743 - Notice of Proposed Withdrawal Extension, Corrections to Existing Withdrawal, and Opportunity for...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-01

    ... application to extend the withdrawal established by PLO No. 6849 (56 FR 16278), for an additional 20-year term... subsequently corrected by Federal Register notice 56 FR 24119, and PLO Nos. 6849 and 6907. The corrections to.... 10, N\\1/2\\N\\1/2\\, SE\\1/4\\NE\\1/4\\, and E\\1/2\\SE\\1/4\\; Secs. 11 to 14, inclusive; Sec. 15, NE\\1/4\\,...

  15. Tris(N,N-di­methyl­anilinium) hexa­bromido­stannate(IV) bromide

    PubMed Central

    Chouaib, Hassen; Kamoun, Slaheddine; Ayedi, Hassine Ferid

    2013-01-01

    In the title compound, (C8H12N)3[SnBr6]Br, the anilinium N atom of one of the three unique cations exhibits flip-flop disorder with an 0.60:0.40 occupancy ratio. In the crystal, N—H⋯Br hydrogen bonds link the N,N-di­methyl­anilinium cations and both Br− anions and [SnBr6]2− dianions into a layered arrangement parallel to (001). PMID:23794978

  16. 75 FR 23592 - Safety Zone; Neuse River, New Bern, NC; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-04

    ... (252) 247- 4525, e-mail Stephen.W.Lyons@uscg.mil . SUPPLEMENTARY INFORMATION: In FR doc 2010-9497... safety zone coordinates should have read ``35 06'12'' N; 077 02'12'' W thence to 35 05'52'' N; 077 02'15'' W thence to 35 05'49'' N; 077 01'49'' W thence to 35 06'17'' N; 077 01'48'' W thence to 35 06'21''...

  17. Accelerometer-Determined Physical Activity among Elementary School-Aged Children with Autism Spectrum Disorders in Taiwan

    ERIC Educational Resources Information Center

    Pan, Chien-Yu; Tsai, Chia-Liang; Hsieh, Kai-Wen; Chu, Chia-Hua; Li, Ya-Lin; Huang, Shih-Tse

    2011-01-01

    To examine age-related physical activity (PA) patterns between- and within-day in elementary school-aged children with autism spectrum disorders (ASD). PA was recorded every 5-s by uniaxial accelerometry in 35 children (grades 1-2, n = 13; grades 3-4, n = 13; grades 5-6, n = 9) for up to five weekdays and two weekend days. Younger children were…

  18. Crystal structure of hexa­kis­(dmpu)-di-μ2-hydroxido-dialuminium tetraiodide dmpu tetra­solvate [dmpu is 1,3-di­methyl­tetra­hydro­pyrimidin-2(1H)-one]: a centrosymmetric dinuclear aluminium complex containing AlO5 polyhedra

    PubMed Central

    Lundberg, Daniel; Lyczko, Krzysztof

    2015-01-01

    The structure of the title compound, [Al2(OH)2(C6H12N2O)6]I4·4C6H12N2O (systematic name: di-μ2-hydroxido-bis­{tris­[1,3-di­methyl­tetra­hydro­pyrimidin-2(1H)-one-κO]aluminium} tetra­iodide 1,3-di­methyl­tetra­hydro­pyrimidin-2(1H)-one tetra­solvate), is composed of two Al(C6H12N2O)3 moieties linked into a centrosymmetric dinuclear unit by a pair of bridging hydroxide ions. The aluminium cations show a distorted trigonal bipyramidal AlO5 coordination environment formed only by monodentate ligands. The Al—O bond lengths are in the range 1.789 (2)–1.859 (2) Å (mean bond length = 1.818 Å). The non-coordinating iodide anions compensate the charge of the complex cation. The remaining solvent mol­ecules and the iodide counter-anions inter­act with the complex cation by weak non-classical C—H⋯I and C—H⋯O hydrogen bonds. PMID:26396749

  19. Determination of molecular diffusion coefficient in n-alkane binary mixtures: empirical correlations.

    PubMed

    De Mezquia, D Alonso; Bou-Ali, M Mounir; Larrañaga, M; Madariaga, J A; Santamaría, C

    2012-03-01

    In this work we have measured the molecular diffusion coefficient of the n-alkane binary series nC(i)-nC(6), nC(i)-nC(10), and nC(i)-nC(12) at 298 K and 1 atm and a mass fraction of 0.5 by using the so-called sliding symmetric tubes technique. The results show that the diffusion coefficient at this concentration is proportional to the inverse viscosity of the mixture. In addition, we have also measured the diffusion coefficient of the systems nC(12)-nC(6), nC(12)-nC(7), and nC(12)-nC(8) as a function of concentration. From the data obtained, it is shown that the diffusion coefficient of the n-alkane binary mixtures at any concentration can be calculated from the molecular weight of the components and the dynamic viscosity of the corresponding mixture at 50% mass fraction. PMID:22263833

  20. Distribution of local elastic constants in nanofilms of metals

    NASA Astrophysics Data System (ADS)

    Meng, Dong-Yuan; Lin, Ping; Yan, Xue-Song; Qi, Xin; Yang, Lei

    2012-07-01

    The distribution of local elastic constants of nanofilms was studied by the stress-fluctuation approach. The Lennard-Jones (L-J) and the second-moment approximation of tight-binding (TB-SMA) potential are used as models to investigate the differences between the pair-wise and many-body atomic interaction. Firstly the configurations of the nanofilm are obtained by the simulations, and then with the configurations, elastic constants are calculated. The behaviors of C11(n) and C12(n) are different for L-J films. Inner layers have larger C11(n) and smaller C12(n). For TB-SMA films, the distributions are different from L-J films'. The outmost layers have the smallest value, while the secondary outer layers have the largest and the behaviors of C11(n) and C12(n) are similar. This distribution can be explained by the competition between electron redistribution and lower coordination near the free surfaces. Compared to L-J model TB-SMA is better to describe the system. Furthermore, as the temperature increases, the elastic constants get larger while the distributions of the local elastic constants almost remain the same.

  1. Three pharmaceuticals cocrystals of adefovir: Syntheses, structures and dissolution study

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoming; Sun, Fuxing; Zhang, Tingting; Jia, Jiangtao; Su, Hongmin; Wang, Chenhui; Zhu, Guangshan

    2015-11-01

    We report here three novel cocrystals, which are composed of adefovir as the API (Active Pharmaceutical Ingredient) with p-aminobenzoic acid (1, 2C8H12N5O4P·C7H6NO2·3H2O), 3,5-dihydroxybenzoic acid (2, C8H12N5O4P·C7H6O4·H2O) and 2,6-pyridinedicarboxlic acid (3, C8H12N5O4P·C7H5NO4) as CCFs (cocrystal formers) respectively by crystal engineering strategy. Their structures were characterized by single crystal X-ray diffraction, powder X-ray diffraction (PXRD) analysis, thermogravimetric analyses (TGA), elemental analysis (EA) and infrared spectral analysis (IR). The analysis of single crystal X-ray diffraction demonstrate that cocrystal 1 and 2 form a strong hydrogen-bonded assembly through the phosphoric acids of API with water in the lattice and carboxylic acids of CCF respectively. Cocrystal 3 is formed in which the phosphoric acid groups of API are also held by the carboxylic acid groups of CCF. The PXRD results indicate their high purity of as-synthesized samples. The TGA, EA, IR and dissolution study of API and the cocrystals were also measured and discussed.

  2. Neutrino and antineutrino charge-exchange reactions on {sup 12}C

    SciTech Connect

    Samana, A. R.; Krmpotic, F.; Paar, N.; Bertulani, C. A.

    2011-02-15

    We extend the formalism of weak interaction processes, obtaining new expressions for the transition rates, which greatly facilitate numerical calculations, for both neutrino-nucleus reactions and muon capture. Explicit violation of the conserved vector current hypothesis by the Coulomb field, as well as development of a sum-rule approach for inclusive cross sections, has been worked out. We have done a thorough study of exclusive (ground-state) properties of {sup 12}B and {sup 12}N within the projected quasiparticle random phase approximation (PQRPA). Good agreement with experimental data achieved in this way put into evidence the limitations of the standard RPA and QRPA models, which come from the inability of the RPA to open the p{sub 3/2} shell and from the nonconservation of the number of particles in the QRPA. The inclusive neutrino/antineutrino ({nu}/{nu}-tilde) reactions {sup 12}C({nu},e{sup -}){sup 12}N and {sup 12}C({nu}-tilde,e{sup +}){sup 12}B are calculated within both the PQRPA and the relativistic QRPA. It is found that (i) the magnitudes of the resulting cross sections are close to the sum-rule limit at low energy, but significantly smaller than this limit at high energies, for both {nu} and {nu}-tilde; (ii) they increase steadily when the size of the configuration space is augmented, particularly for {nu}/{nu}-tilde energies >200 MeV; and (iii) they converge for sufficiently large configuration space and final-state spin. The quasi-elastic {sup 12}C({nu},{mu}{sup -}){sup 12}N cross section recently measured in the MiniBooNE experiment is briefly discussed. We study the decomposition of the inclusive cross section based on the degree of forbiddenness of different multipoles. A few words are dedicated to the {nu}/{nu}-tilde-{sup 12}C charge-exchange reactions related to astrophysical applications.

  3. Radiotherapy Can Decrease Locoregional Recurrence and Increase Survival in Mastectomy Patients With T1 to T2 Breast Cancer and One to Three Positive Nodes With Negative Estrogen Receptor and Positive Lymphovascular Invasion Status

    SciTech Connect

    Yang, P.S.; Chen, C.M.; Liu, M.C.; Jian, J.M.; Horng, C.F.; Liu, M.J.; Yu, B.L.; Lee, M.Y.; Chi, C.W.

    2010-06-01

    Purpose: To define a subgroup of patients at high risk of locoregional recurrence (LRR) who might be benefit from postmastectomy radiotherapy in invasive breast cancer and tumor size <5 cm with one to three involved axillary lymph nodes (T1-2 N1). Methods and Materials: Between April 1991 and December 2005, 544 patients with T1-2 N1 invasive breast cancer were treated with modified radical mastectomy. Of the 544 patients, 383 patients (70.4%) had no radiotherapy, and 161 patients (29.6%) received radiotherapy. We retrospectively compared these two patient groups. Results: With a median follow-up of 40.3 months, LRR occurred in 40 (7.4%) of 544 patients. On univariate analysis, high nuclear grade (p = 0.04), negative estrogen receptor (ER) status (p = 0.001), presence of lymphovascular invasion (LVI) (p = 0.003), and no radiotherapy (p = 0.0015) were associated with a significantly higher rate of LRR. Negative ER status (hazard ratio = 5.1) and presence of LVI (hazard ratio = 2.5) were the risk factors for LRR with statistical significance in the multivariate analysis. Radiotherapy reduced the LRR in patients with the following characteristics: age <40 years, T2 stage, high nuclear grade, negative ER status, and presence of LVI. For 41 patients with negative ER and positive LVI status, radiotherapy can reduce LRR from 10 of 25 (40%) to 2 of 16 (12.5%) and increase the 5-year overall survival from 43.7% to 87.1%. Conclusion: Radiotherapy can reduce LRR and increase survival in T1-2 N1 breast cancer patients with negative ER status and presence of LVI.

  4. Trends in the Application of Postmastectomy Radiotherapy for Breast Cancer With 1 to 3 Positive Axillary Nodes and Tumors ≤5 cm in the Modern Treatment Era: A Retrospective Korean Breast Cancer Society Report.

    PubMed

    Chang, Jee Suk; Choi, Jung Eun; Park, Min Ho; Jung, Sung Hoo; Choi, Byung Ock; Park, Hyung Seok; Park, Seho; Kim, Yong Bae

    2016-05-01

    Despite high-level evidence, the benefit of postmastectomy RT in these patients in recent years has not been fully elucidated. We investigated postmastectomy radiotherapy (RT) use and evaluated clinicopathologic and treatment factors influencing RT use in Korean women with pT1-2N1 breast cancer.We identified women diagnosed with pT1-2N1 breast cancer between 1994 and 2009 using the Korean Breast Cancer Registry. Factors associated with RT use were evaluated using logistic regression analysis. The median follow-up was 95 months.Of the 6196 women, 11.9% underwent postmastectomy RT. RT was applied more frequently in women with 3 positive lymph nodes (adjusted odds ratio [OR], 2.69) and larger tumors (OR per centimeter, 1.10). RT use was not significantly associated with well-established risk factors (e.g., tumor grade, hormone receptor status, and lymphovascular space invasion). Although RT utilization increased gradually during the study period (OR per year, 1.07), factors associated with RT were similar over time. The estimated 5-year overall survival increased significantly from 84.1% in 1994 to 2000 to 94.6% in 2005 to 2009.This population-based analysis revealed that the indications for postmastectomy RT in pT1-2N1 breast cancer in Korea are based solely on conventional anatomical factors, although their survival has increased significantly in the modern treatment era. There is a significant unmet need for better risk stratification in these patients and for tailored RT with the incorporation of tumor biology-associated factors. PMID:27175662

  5. Oxygen-exchange Pathways in Aluminum Polyoxocations

    SciTech Connect

    Rustad, James R.; Loring, J. S.; Casey, William H.

    2004-07-15

    Using molecular dynamics simulations and electronic structure methods, we postulate a mechanism to explain the complicated reactivity trends that are observed for oxygen isotope exchange reactions between sites in aluminum polyoxocations of the E-Keggin type and bulk solution. Experimentally, the molecules have four nonequivalent oxygens that differ considerably in reactivity both within a molecule, and between molecules in the series: Al13, GaAl12, and GeAl12 [MO4Al12(OH)24(H2O)12 n*(aq); with M=Al(III) for Al13, n=7; M=Ga(III) for GaAl12, n=7; M=Ge(IV) for GeAl12, n=8]. We find that a partly dissociated, metastable intermediate molecule of expanded volume is necessary for exchange of both sets of u2-OH and that the steady-state concentration of this intermediate reflects the bond strengths between the central metal and the u4-O. Thus the central metal exerts extraordinary control over reactions at hydroxyl bridges, although these are three bonds away. This mechanism not only explains the reactivity trends for oxygen isotope exchange in u2-OH and u-OH2 sites in the E-Keggin aluminum molecules, but also explains the observation that the reactivities of minerals tend to reflect the presence of highly coordinated oxygens, such as the u4-O in boehmite, a-, and y-Al2O3 and their Fe(III) analogs. The partial dissociation of these highly coordinated oxygens, coupled with simultaneous activation and displacement of neighboring metal centers, may be a fundamental process by which metals atoms undergo ligand exchanges at mineral surfaces.

  6. Crystal structures of three co-crystals of 1,2-bis­(pyridin-4-yl)ethane with 4-alk­oxy­benzoic acids: 4-eth­oxy­benzoic acid–1,2-bis­(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid–1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-but­oxy­benzoic acid–1,2-bis­(pyridin-4-yl)ethane (2/1)

    PubMed Central

    Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki

    2015-01-01

    The crystal structures of three hydrogen-bonded co-crystals of 4-alk­oxy­benzoic acid–1,2-bis­(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-eth­oxy­benzoic acid mol­ecule and one half-mol­ecule of 1,2-bis­(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alk­oxy­benzoic acid mol­ecules and one 1,2-bis­(pyridin-4-yl)ethane mol­ecule. In each crystal, the two components are linked by O—H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C—H⋯O hydrogen bonds, forming tape structures. PMID:26594506

  7. Trends in the Application of Postmastectomy Radiotherapy for Breast Cancer With 1 to 3 Positive Axillary Nodes and Tumors ≤5 cm in the Modern Treatment Era

    PubMed Central

    Chang, Jee Suk; Choi, Jung Eun; Park, Min Ho; Jung, Sung Hoo; Choi, Byung Ock; Park, Hyung Seok; Park, Seho; Kim, Yong Bae

    2016-01-01

    Abstract Despite high-level evidence, the benefit of postmastectomy RT in these patients in recent years has not been fully elucidated. We investigated postmastectomy radiotherapy (RT) use and evaluated clinicopathologic and treatment factors influencing RT use in Korean women with pT1-2N1 breast cancer. We identified women diagnosed with pT1-2N1 breast cancer between 1994 and 2009 using the Korean Breast Cancer Registry. Factors associated with RT use were evaluated using logistic regression analysis. The median follow-up was 95 months. Of the 6196 women, 11.9% underwent postmastectomy RT. RT was applied more frequently in women with 3 positive lymph nodes (adjusted odds ratio [OR], 2.69) and larger tumors (OR per centimeter, 1.10). RT use was not significantly associated with well-established risk factors (e.g., tumor grade, hormone receptor status, and lymphovascular space invasion). Although RT utilization increased gradually during the study period (OR per year, 1.07), factors associated with RT were similar over time. The estimated 5-year overall survival increased significantly from 84.1% in 1994 to 2000 to 94.6% in 2005 to 2009. This population-based analysis revealed that the indications for postmastectomy RT in pT1-2N1 breast cancer in Korea are based solely on conventional anatomical factors, although their survival has increased significantly in the modern treatment era. There is a significant unmet need for better risk stratification in these patients and for tailored RT with the incorporation of tumor biology-associated factors. PMID:27175662

  8. Numerical estimate of the finite-size corrections to the free energy of the Sherrington-Kirkpatrick model using Guerra-Toninelli interpolation

    NASA Astrophysics Data System (ADS)

    Billoire, Alain

    2006-04-01

    I use an interpolation formula, introduced recently by Guerra and Toninelli, in order to prove the existence of the free energy of the Sherrington-Kirkpatrick spin glass model in the infinite volume limit, to investigate numerically the finite-size corrections to the free energy of this model. The results are compatible with a (1/12N)ln(N/N0) behavior at Tc , as predicted by Parisi, Ritort, and Slanina, and a 1/N2/3 behavior below Tc .

  9. Ionization potential for excited S states of the lithium atom

    SciTech Connect

    Puchalski, M.; KePdziera, D.; Pachucki, K.

    2010-12-15

    Nonrelativistic, relativistic, quantum electrodynamic, and finite nuclear mass corrections to the energy levels are obtained for the nS{sub 1/2},n=3,...,9 states of the lithium atom. Computational approach is based on the explicitly correlated Hylleraas functions with the analytic integration and recursion relations. Theoretical predictions for the ionization potential of nS{sub 1/2} states and transition energies nS{sub 1/2{yields}}2S{sub 1/2} are compared to known experimental values for {sup 6,7}Li isotopes.

  10. 1-(Ferrocen-1-ylmeth­yl)-3-methyl­imidazol-3-ium iodide

    PubMed Central

    Nyamori, Vincent O.; Zulu, Siphesihle M.; Omondi, Bernard

    2012-01-01

    The structure of the title compound, [Fe(C5H5)(C10H12N2)]I, consists of a 1-(ferrocen-1-ylmeth­yl)-3-methyl­imidazolium cation which is counter-balanced by an iodide anion. The cyclo­penta­dienyl (Cp) rings of the ferrocene unit have a slightly staggered conformation skewed from an ideal eclipsed conformation by an angle of 3.5 (6)°. The inter­planar angle between the Cp and the imidazole ring is 67.94 (2)°. PMID:23468696

  11. 4-(3,7-Dimethyl-4-oxo-4,5-dihydro­isoxazolo[4,5-d]pyridazin-5-yl)benzene­sulfonamide

    PubMed Central

    Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Youbi, Abdulrahman O.; Obaid, Abdullah.Y.; Ng, Seik Weng

    2011-01-01

    The nine-membered fused-ring system of the title pyridazine derivative, C13H12N4O4S, is approximately planar (r.m.s. deviation 0.027 Å), and the benzene ring of the phenyl­sulfamide substituent is aligned at 43.5 (1)° to the fused-ring system. The amine group of the sulfonamide substituent forms an N—H⋯O hydrogen bond to the ketonic O atom of two neigboring mol­ecules to generate a chain running along the c axis. PMID:22059027

  12. Inferential Processing among Adequate and Struggling Adolescent Comprehenders and Relations to Reading Comprehension

    PubMed Central

    Barth, Amy E.; Barnes, Marcia; Francis, David J.; Vaughn, Sharon; York, Mary

    2015-01-01

    Separate mixed model analyses of variance (ANOVA) were conducted to examine the effect of textual distance on the accuracy and speed of text consistency judgments among adequate and struggling comprehenders across grades 6–12 (n = 1203). Multiple regressions examined whether accuracy in text consistency judgments uniquely accounted for variance in comprehension. Results suggest that there is considerable growth across the middle and high school years, particularly for adequate comprehenders in those text integration processes that maintain local coherence. Accuracy in text consistency judgments accounted for significant unique variance for passage-level, but not sentence-level comprehension, particularly for adequate comprehenders. PMID:26166946

  13. Lectures on Non-Abelian Bosonization

    NASA Astrophysics Data System (ADS)

    Tsvelik, A. M.

    The following sections are included: * Introduction * Kac-Moody algebra * Conformal embedding. Sugawara Hamiltonian * SU(N)×SU(M) model * From the fermionic to WZNW model * The perturbed SUk(2) WZNW model * Correlation functions and Quasi Long Range order * Generalization from SU(2) to SU(N) * A model with Sp(2N) symmetry * Solution for the special case gcdw = gsc * Attraction in the orbital channel. Competing orders. Emergent integrability. ZN parafermions. * Parafermion zero modes * Conclusions and Acknowledgements * Appendix A. TBA equations for the Sp1(2N) model * Appendix B. Bosonization of of Z4 parafermions * References

  14. Representations and particles of orthosymplectic supersymmetry generalization

    NASA Astrophysics Data System (ADS)

    Salom, Igor

    2014-12-01

    Orthosymplectic osp(1|2 n) supersymmetry (alternative names: Generalized conformal supersymmetry with tensorial central charges, conformal M-algebra, parabose algebra) has been considered as an alternative to d-dimensional conformal superalgebra. Due to mathematical difficulties, even classification of its unitary irreducible representations (UIR's) have not been entirely accomplished. We give this classification for n = 4 case (corresponding to four dimensional space-time) and then show how the discrete subset of these UIR's can be constructed in a Clifford algebra variation of the Green's ansatz.

  15. Crystal structure of 6-hy­droxy-5-(2-meth­oxy­phenoxy)-2,2′-bipyrimidin-4(3H)-one

    PubMed Central

    Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher

    2016-01-01

    In the title compound, C15H12N4O4, the dihedral angle between the heterocyclic rings is 12.60 (8)°, and that between the benzene ring and the adjacent heterocyclic ring is 85.14 (6)°. In the crystal, a combination of N—H⋯O and O—H⋯O hydrogen bonds link mol­ecules related by a glide plane into a C(5) C(6)[R 2 2(9)] chain of rings, which is a distinctly different packing motif to those observed in hydrated modifications of this compound. PMID:27555942

  16. 2,2-Dimethyl-5-[(2-nitro-anilino)methyl-idene]-1,3-dioxane-4,6-dione.

    PubMed

    He, Yu-Xin; Wu, Jin-Wei; Tong, Rong-Sheng; Shi, Jian-You

    2011-05-01

    The crystal of the title compound, C(13)H(12)N(2)O(6), contains a bifurcated intra-molecular hydrogen bond between the N-H group and one of the O atoms from both the nitro group and the dioxane-4,6-dione moiety. In addition, mol-ecules are linked by a series of inter-molecular C-H⋯O secondary inter-actions. The dihedral angles between the benzene ring and the nitro group and the conjugated part of the dioxane-4,6-dione moiety are 19.1 (2) and 17.89 (7)°, respectively. PMID:21754514

  17. A Symmetrized Basis for Transitions in the Heisenberg Model

    NASA Astrophysics Data System (ADS)

    Haydock, Roger; Nex, C. M. M.

    2013-03-01

    The spin-S Heisenberg model has 2S+1 states on each site, for which there are (2S+1)2 possible transitions between these states. For N sites there are (2S+1)N states and (2S+1)2N transitions between states. This rapid increase in the number of transitions with sites appears to limit calculations to just a few sites. However for transitions induced by spin-spin interactions, we construct a symmetrized basis which only grows as 2N-3, making possible computations for much larger systems. Supported by the Richmond F. Snyder Fund.

  18. Sensitivity of BN nano-cages to caffeine and nicotine molecules

    NASA Astrophysics Data System (ADS)

    Soltani, Alireza; Baei, Mohammad T.; Tazikeh Lemeski, E.; Shahini, Malihe

    2014-12-01

    Adsorption of caffeine and nicotine molecules over B12N12 and B16N16 nano-cages were investigated by using first-principles calculations to define whether BN nano-cages are applicable for filtering or sensing caffeine and nicotine molecules. The chemisorption energy of nicotine molecule on BN nano-cages is very stronger than caffeine molecule. Upon the adsorption of caffeine and nicotine molecules, the electronic properties of the BN nano-cages can be significantly changed, being too much sensitized on the caffeine and nicotine adsorptions.

  19. Crystal structure of 6-hy-droxy-5-(2-meth-oxy-phenoxy)-2,2'-bipyrimidin-4(3H)-one.

    PubMed

    Sagar, Belakavadi K; Yathirajan, Hemmige S; Jasinski, Jerry P; Glidewell, Christopher

    2016-07-01

    In the title compound, C15H12N4O4, the dihedral angle between the heterocyclic rings is 12.60 (8)°, and that between the benzene ring and the adjacent heterocyclic ring is 85.14 (6)°. In the crystal, a combination of N-H⋯O and O-H⋯O hydrogen bonds link mol-ecules related by a glide plane into a C(5) C(6)[R (2) 2(9)] chain of rings, which is a distinctly different packing motif to those observed in hydrated modifications of this compound. PMID:27555942

  20. 4,6-Dihy­droxy-4,6-dimethyl-1,3-diazinane-2-thione

    PubMed Central

    Aliyeva, Khatira N.; Maharramov, Abel M.; Allahverdiyev, Mirze A.; Gurbanov, Atash V.; Brito, Iván

    2011-01-01

    In the title compound, C6H12N2O2S, the heterocyclic ring has a sofa conformation. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯O hydrogen-bond inter­action with graph-set motif S(6). In the crystal, mol­ecules are linked by O—H⋯S, N—H⋯S and N—H⋯O hydrogen-bond inter­actions, forming an extended two-dimensional framework parallel to the ac plane. PMID:22058933

  1. 4,6-Dihy-droxy-4,6-dimethyl-1,3-diazinane-2-thione.

    PubMed

    Aliyeva, Khatira N; Maharramov, Abel M; Allahverdiyev, Mirze A; Gurbanov, Atash V; Brito, Iván

    2011-09-01

    In the title compound, C(6)H(12)N(2)O(2)S, the heterocyclic ring has a sofa conformation. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen-bond inter-action with graph-set motif S(6). In the crystal, mol-ecules are linked by O-H⋯S, N-H⋯S and N-H⋯O hydrogen-bond inter-actions, forming an extended two-dimensional framework parallel to the ac plane. PMID:22058933

  2. Benznidazole

    PubMed Central

    Soares-Sobrinho, José Lamartine; Cunha-Filho, Marcílio S. S.; Rolim Neto, Pedro José; Torres-Labandeira, Juan J.; Dacunha-Marinho, Bruno

    2008-01-01

    The conformation of the title compound [systematic name: N-benzyl-2-(2-nitro­imidazol-1-yl)acetamide], C12H12N4O3, can be described in terms of the relative orientation of three planar fragments, the imidazol group (A), benzyl group (B), and the acetamide fragment (C), with corresponding dihedral angles: A/C = 88.17 (4), B/C = 67.12 (5) and A/B = 21.11 (4)°. The crystal packing is enhanced by a network of strong inter­molecular N—H⋯O hydrogen bonds. PMID:21201965

  3. 2 μm wavelength range InP-based type-II quantum well photodiodes heterogeneously integrated on silicon photonic integrated circuits.

    PubMed

    Wang, Ruijun; Sprengel, Stephan; Muneeb, Muhammad; Boehm, Gerhard; Baets, Roel; Amann, Markus-Christian; Roelkens, Gunther

    2015-10-01

    The heterogeneous integration of InP-based type-II quantum well photodiodes on silicon photonic integrated circuits for the 2 µm wavelength range is presented. A responsivity of 1.2 A/W at a wavelength of 2.32 µm and 0.6 A/W at 2.4 µm wavelength is demonstrated. The photodiodes have a dark current of 12 nA at -0.5 V at room temperature. The absorbing active region of the integrated photodiodes consists of six periods of a "W"-shaped quantum well, also allowing for laser integration on the same platform. PMID:26480194

  4. Study of Chemical Carcinogens by Positron Annihilation Lifetime Spectroscopy

    NASA Astrophysics Data System (ADS)

    Pivtsaev, A. A.; Razov, V. I.; Karasev, A. O.

    2013-11-01

    We have used positron annihilation lifetime spectroscopy to study the carcinogens C21H20BrN3, C4H7Cl2O4P, CCl4, CHCl3, AlF3, C8H12N4O, C6H4Cl2 and the non-carcinogens H2O, AlCl3, CH2Cl2, C2H6OS. We have established a correlation between the annihilation characteristics of the studied compounds and their degree of carcinogenicity.

  5. Crystal structure of piperidinium 4-nitro-phenolate.

    PubMed

    Sowmya, N Swarna; Sampathkrishnan, S; Sudhahar, S; Chakkaravarthi, G; Kumar, R Mohan

    2014-12-01

    In the title mol-ecular salt, C5H12N(+)·C6H4NO3 (-), the piperidine ring adopts a chair conformation and the cation is protonated at the N atom. In the anion, the nitro group is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring. In the crystal, N-H⋯O hydrogen bonds link adjacent anions and cations into infinite chains propagating along [100]. The chains are linked by C-H⋯π inter-actions, forming sheets lying parallel to (001). PMID:25552992

  6. Crystal structure of 2-phenyl­ethanaminium 3-carb­oxy­prop-2-enoate

    PubMed Central

    Sowmya, N. Swarna; Sampathkrishnan, S.; Akilan, R.; Chakkaravarthi, G.; Kumar, R. Mohan

    2015-01-01

    The title mol­ecular salt, C8H12N+·C4H3O4 −, crystallized with two independent cations and anions in the asymmetric unit. The ethanaminium side chains of the cations exhibit anti conformations [C—C—C—N torsion angles = 176.5 (3) and −179.4 (3)°]. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds connect adjacent anions and cations, and , O—H⋯O hydrogen bonds connect adjacent anions, generating sheets parallel to (001). PMID:26396880

  7. Crystal structure of piperidinium 4-nitro­phenolate

    PubMed Central

    Sowmya, N. Swarna; Sampathkrishnan, S.; Sudhahar, S.; Chakkaravarthi, G.; Kumar, R. Mohan

    2014-01-01

    In the title mol­ecular salt, C5H12N+·C6H4NO3 −, the piperidine ring adopts a chair conformation and the cation is protonated at the N atom. In the anion, the nitro group is twisted at an angle of 10.30 (11)° with respect to the attached benzene ring. In the crystal, N—H⋯O hydrogen bonds link adjacent anions and cations into infinite chains propagating along [100]. The chains are linked by C—H⋯π inter­actions, forming sheets lying parallel to (001). PMID:25552992

  8. N,N′-(Ethane-1,2-di­yl)bis­(methane­sulfon­amide)

    PubMed Central

    Chan, Wesley Ting Kwok; Kung, Ka Yan Karen; Wong, Man-kin

    2014-01-01

    The mol­ecular structure of the title compound, C4H12N2O4S2, has crystallographic inversion symmetry. The central N—C—C—N moiety was refined as disordered over two sets of sites with an approximate occupancy ratio of 3:1 [0.742 (15):0.258 (15). In the crystal, N—H⋯O hydrogen bonds link adjacent mol­ecules into a thick sheet structure parallel to the b-axis direction. PMID:24764874

  9. Evaluation of JPL Version-5.9.12 Temperature Profiles, Ocean Skin Temperature, Surface Emissivity, and Cloud Cleared Radiances

    NASA Technical Reports Server (NTRS)

    Susskind, Joel; Blaisdell, John; Iredell, Lena

    2011-01-01

    Slide presentation discusses: (1) Modifications to JPL 5.9.12 compared to V5.9.1, (2) Some results showing that V5.9.12 O, with original water vapor sounding channels, is preferable to V5.9.12 N with Antonia Gambacorta s new water vapor channels. (3) Comparison of V5.9.12, V5.9.12 AO, V5.9.1, and V5.0, (4) Accuracy and yield of channel by channel Quality Controlled clear-column radiances R(sub i) and (5) Plans for Version-7.

  10. The BOEING double subharmonic electron injector - performance measurements

    SciTech Connect

    Adamski, J.L.; Gallagher, W.J.; Kennedy, R.C.; Stoffstall, D.R.; Tyson, E.L.; Yeremian, A.D.

    1985-10-01

    A two stage subharmonic injector has been installed and tested on the Boeing S band linac. The injector is designed as a prototype front end for a high voltage linac for free electron laser research. This accelerator will require long macropulse trains of widely spaced high current micropulses. Single micropulse output beams of 1-2 nC, 10 ps width, 1% full width energy spread and normalized emittance of epsilon /SUB n/ = US el r/phi/ = 0.01 cm-rad have been measured. The data are in good agreement with model predictions.

  11. Crystal structure of 2-phenyl-ethanaminium 3-carb-oxy-prop-2-enoate.

    PubMed

    Sowmya, N Swarna; Sampathkrishnan, S; Akilan, R; Chakkaravarthi, G; Kumar, R Mohan

    2015-09-01

    The title mol-ecular salt, C8H12N(+)·C4H3O4 (-), crystallized with two independent cations and anions in the asymmetric unit. The ethanaminium side chains of the cations exhibit anti conformations [C-C-C-N torsion angles = 176.5 (3) and -179.4 (3)°]. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds connect adjacent anions and cations, and , O-H⋯O hydrogen bonds connect adjacent anions, generating sheets parallel to (001). PMID:26396880

  12. In Vitro Activity of Mirincamycin (U24729A) against Plasmodium falciparum Isolates from Gabon▿

    PubMed Central

    Held, Jana; Westerman, Richard; Kremsner, Peter G.; Mordmüller, Benjamin

    2010-01-01

    We assessed the in vitro activity of mirincamycin, a lincosamide antibiotic, against Plasmodium falciparum clinical isolates from Gabon. Growth was determined by HRP2 enzyme-linked immunosorbent assay using an adapted protocol with a prolonged incubation time (6 days) to account for antibiotic-induced delayed death. Mirincamycin's cis and trans isomers are more active (median 50% inhibitory concentrations [IC50s], 3.2 nM and 2.6 nM) than the comparator drugs clindamycin (IC50, 12 nM) and doxycycline (IC50, 720 nM), and therefore, further clinical development is promising. PMID:19841147

  13. In vitro activity of mirincamycin (U24729A) against Plasmodium falciparum isolates from Gabon.

    PubMed

    Held, Jana; Westerman, Richard; Kremsner, Peter G; Mordmüller, Benjamin

    2010-01-01

    We assessed the in vitro activity of mirincamycin, a lincosamide antibiotic, against Plasmodium falciparum clinical isolates from Gabon. Growth was determined by HRP2 enzyme-linked immunosorbent assay using an adapted protocol with a prolonged incubation time (6 days) to account for antibiotic-induced delayed death. Mirincamycin's cis and trans isomers are more active (median 50% inhibitory concentrations [IC(50)s], 3.2 nM and 2.6 nM) than the comparator drugs clindamycin (IC(50), 12 nM) and doxycycline (IC(50), 720 nM), and therefore, further clinical development is promising. PMID:19841147

  14. (2,2'-bipyridine-kappa(2)N,N')(2,3-naphthalenediolato-kappa(2)O,O')palladium(II) and (2,2'-biquinoline-kappa(2)N,N')(2,3-naphthalenediolato-kappa(2)O,O')palladium(II).

    PubMed

    Okabe, Nobuo; Hagihara, Kana; Odoko, Mamiko; Muranishi, Yasunori

    2004-04-01

    In the title compounds, [Pd(C(10)H(6)O(2))(C(10)H(8)N(2))], (I), and [Pd(C(10)H(6)O(2))(C(18)H(12)N(2))], (II), each Pd(II) atom has a similar distorted cis-planar four-coordination geometry involving two O atoms of the 2,3-naphthalenediolate dianion and two N atoms of the 2,2'-bipyridine or 2,2'-biquinoline ligand. The overall structure of (I) is essentially planar, but that of (II) is not, as a result of intramolecular overcrowding leading to bowing of the biquinoline ligand. PMID:15071200

  15. Baryon-Meson Mass Inequality

    NASA Astrophysics Data System (ADS)

    Nussinov, S.

    1983-12-01

    It is suggested that the inequality mB>32mM is a rigorous result in quantum chromodynamics. The analog for a (q1...qN) baryon in SU(N) is mB>(12N)mM. The inequality is proved for weak coupling and a version of the strong-coupling expansion where a separation Hq1q2q3=H12+H23+H31 of the problem can be achieved. Implications for quantum chromodynamics and composite models are briefly discussed.

  16. Electro-optic Measurement of the Wake Fields of a Relativistic Electron Beam

    SciTech Connect

    Fitch, M. J.; Melissinos, A. C.; Colestock, P. L.; Carneiro, J.-P.; Edwards, H. T.; Hartung, W. H.

    2001-07-16

    When a relativistic electron bunch traverses a structure, strong electromagnetic fields are induced in its wake. For a 12 nC bunch of duration 4.2ps FWHM, the peak field is measured >0.5 MV/m . Time resolution of {approx}5 ps is achieved using electro-optic sampling with a lithium tantalate (LiTaO{sub 3}) crystal and a short-pulse infrared laser synchronized to the beam. We present measurements for both the longitudinal and radial components of the field and relate them to the wall impedance.

  17. The free energy in a class of quantum spin systems and interchange processes

    NASA Astrophysics Data System (ADS)

    Björnberg, J. E.

    2016-07-01

    We study a class of quantum spin systems in the mean-field setting of the complete graph. For spin S = 1/2, the model is the Heisenberg ferromagnet, and for general spin S ∈ 1/2 N, it has a probabilistic representation as a cycle-weighted interchange process. We determine the free energy and the critical temperature (recovering results by Tóth and by Penrose when S = 1/2). The critical temperature is shown to coincide (as a function of S) with that of the q = 2S + 1 state classical Potts model, and the phase transition is discontinuous when S ≥ 1.

  18. Crystal structure of (E)-9-(4-nitro-benzyl-idene)-8,9-di-hydro-pyrido[2,3-d]pyrrolo-[1,2-a]pyrimidin-5(7H)-one.

    PubMed

    Khodjaniyazov, Khamid U; Ashurov, Jamshid M

    2016-04-01

    The title compound, C17H12N4O3, a pyrido-pyrrolo-pyrimidine derivative, is almost planar. The nitro-benzene ring is inclined to the mean plane of the 8,9-di-hydro-pyrido[2,3-d]pyrrolo-[1,2-a]pyrimidin-5(7H)-one moiety (r.m.s. deviation = 0.023 Å) by 6.8 (1)°. In the crystal, mol-ecules are linked via C-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to (101). PMID:27375862

  19. The fluid systems for the SLD Cherenkov ring imaging detector. [01

    SciTech Connect

    Abe, K.; Hasegawa, K.; Hasegawa, Y.; Iwasaki, Y.; Suekane, F.; Yuta, H. . Dept. of Physics); Antilogus, P.; Aston, D.; Bienz, T.; Bird, F.; Dasu, S.; Dolinsky, S.; Dunwoodie, W.; Hallewell, G.; Kawahara, H.; Kwon, Y.; Leith, D.W.G.S.; McCulloch, M.; McShurley, D.; Mueller, G.; Muller, D.; Nagamine, T.; Pavel, T.J.; Peterson, H.; Ratcliff, B.; Reif, R.; Rensing, P.; Schultz, D.; Shapiro, S.; Shaw,

    1992-10-01

    We describe the design and operation of the fluid delivery, monitor and control systems for the SLD barrel Cherenkov Ring Imaging Detector (CRID). The systems deliver drift gas (C[sub 2]H[sub 6] + TMAE), radiator gas (C[sub 5]F[sub 12] + N[sub 2]) and radiator liquid (C[sub 6]F[sub 14]). Measured critical quantities such as electron lifetime in the drift gas and ultra-violet (UV) transparencies of the radiator fluids, together with the operational experience, are also reported.

  20. The fluid systems for the SLD Cherenkov ring imaging detector

    SciTech Connect

    Abe, K.; Hasegawa, K.; Hasegawa, Y.; Iwasaki, Y.; Suekane, F.; Yuta, H.; Antilogus, P.; Aston, D.; Bienz, T.; Bird, F.; Dasu, S.; Dolinsky, S.; Dunwoodie, W.; Hallewell, G.; Kawahara, H.; Kwon, Y.; Leith, D.W.G.S.; McCulloch, M.; McShurley, D.; Mueller, G.; Muller, D.; Nagamine, T.; Pavel, T.J.; Peterson, H.; Ratcliff, B.; Reif, R.; Rensing, P.; Schultz, D.; Shapiro, S.; Shaw, H.; Simopoulos, C.; Solodov, E.; Toge, N.; Vavra, J.; Watt, R.; Weber, T.; Williams, S.H.; Baird, K.; Jacques, P.; Kalelkar, M.; Plano, R.; Stamer, P.; Word, G.; Bean, A.; Caldwell, D.O.; Duboscq, J.; Huber, J.; Lu, A.; Mathys, L.; McHugh, S.; Yellin, S.; Ben-David, R.; Manly, S.; Snyder, J.; Turk, J.; Cavalli-Sforza, M.; Coyle, P.; Coyne, D.; Gagnon, P.; Liu, X.; Schneider, M.; Williams, D.A.; Coller, J.; Shank, J.T.; Whitaker, J.S.; d`Oliveira, A.; Johnson, R.A.; Martinez, J.; Nussbaum, M.; Santha, A.K.S.; Sokoloff, M.D.; Stockdale, I.; Wilson, R.J.

    1992-10-01

    We describe the design and operation of the fluid delivery, monitor and control systems for the SLD barrel Cherenkov Ring Imaging Detector (CRID). The systems deliver drift gas (C{sub 2}H{sub 6} + TMAE), radiator gas (C{sub 5}F{sub 12} + N{sub 2}) and radiator liquid (C{sub 6}F{sub 14}). Measured critical quantities such as electron lifetime in the drift gas and ultra-violet (UV) transparencies of the radiator fluids, together with the operational experience, are also reported.

  1. 3-Amino-5-(piperidin-1-yl)thio­phene-2,4-dicarbonitrile

    PubMed Central

    Al-Adiwish, Wedad M.; Adan, D.; Mohamed Tahir, Mohamed Ibrahim; Yaacob, W.A.; Kassim, Mohammad B.

    2012-01-01

    In the title compound, C11H12N4S, the thio­phene ring is roughly planar, with a maximum deviation of 0.012 (1) Å for the S atom, and makes a dihedral angle of 7.89 (8)° with the mean plane of the piperidine ring, which is in a chair conformation. The crystal packing is stabilized by pairs of centrosymmetric inter­molecular N—H⋯N hydrogen bonds, which results in the formation of a step-wise chain parallel to [10]. PMID:22259424

  2. High spatial resolution measurements of surface magnetic fields of the lunar frontside

    NASA Technical Reports Server (NTRS)

    Lin, R. P.

    1979-01-01

    Using 0.5 keV electron reflection measurements from real time tracking of the Apollo 15 and 16 Subsatellites the surface fields were mapped on the lunar frontside. Although the surface coverage is poor except near the Apollo 16 Subsatellite track, over 100 distinct regions of greater than 0.2 square degrees area with maximum surface field strength equal to or greater than 12 nT were identified. Preliminary contour maps of two of the largest regions and the Reiner Gamma region observed by the orbiting magnetometer are presented.

  3. Dibromido(2,9-dimethyl-1,10-phenanthroline-κ2 N,N′)zinc

    PubMed Central

    Dehghani, Ali; M. Amini, Mostafa; Najafi, Ezzatollah; Tadjarodi, Azadeh; Notash, Behrouz

    2012-01-01

    The reaction of equimolar amounts of zinc bromide and 2,9-dimethyl-1,10-phenanthroline in dry methanol provided the title compound, [ZnBr2(C14H12N2)], in good yield. The ZnII ion is coordinated in a distorted tetra­hedral environment by two N atoms from the chelating 2,9-dimethyl-1,10-phenanthroline ligand and two bromide ions. There is inter­molecular π–π stacking between adjacent phenanthroline units, with centroid–centroid distances of 3.594 (3) and 3.652 (3) Å. PMID:22719356

  4. Use of ion exchange resins in the analysis of rocks and minerals: Separation of sodium and potassium

    USGS Publications Warehouse

    Reichen, L.E.

    1958-01-01

    This procedure was developed primarily for analyses in which limited amounts of sample are available. Sodium and potassium can be separated from the other constituents of silicate rocks by cation exchange resin (Amberlite IR-120). The sample is decomposed with hydrofluoric and sulfuric acids and passed through the resin bed after expulsion of the fluorine. The column is eluted with 0.12N hydrochloric acid at a fast flow rate of 4 ml. per sq. cm. per minute and the sodium and potassium are recovered together within a reasonable time. Other constituents of the sample, except silica, can be determined on the same portion of sample.

  5. 2-Nitro-N′-[1-(pyridin-2-yl)ethyl­idene]benzohydrazide

    PubMed Central

    Li, Xiaofeng; An, Yan; Chen, Yiqing; Chen, Lishen

    2011-01-01

    In the title compound, C14H12N4O3, the dihedral angle between the benzene ring and the pyridine ring is 60.9 (2)°. The major twist in the mol­ecule occurs about the (NH)—(CO)—Car—Car (ar = aromatic) bond, the relevant torsion angle being 63.97 (12)°. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(8) loops. PMID:22199847

  6. Bis(1-methyl-1H-imidazole-κN 3)[N,N′-o-phenyl­enebis(pyridine-2-carbox­amido)-κ4 N]manganese(II)

    PubMed Central

    Zahran, Zaki N.; Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.

    2009-01-01

    The title compound, [Mn(C18H12N4O2)(C4H6N2)2], belongs to the family of 1,2-bis­(pyridine-2-carboxamido)benzene (H2bpb) ligated metal complexes. The manganese center is octa­hedrally coordinated by a bpb ligand and two axial 1-methyl­imidazole mol­ecules. The axial N—Mn—N group is bent with a bond angle of 151.79 (7)°. PMID:21581541

  7. Molecular and crystal structure of 2-{( E)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol: A redetermination

    NASA Astrophysics Data System (ADS)

    Kaynar, Nihal Kan; Tanak, Hasan; Şahin, Songul; Dege, Necmi; Ağar, Erbil; Yavuz, Metin

    2016-03-01

    The crystal structure of the title compound, C14H12N2O3, was recently determined as a mixture of its neutral (OH containing) and zwitterionic (NH containing) forms, in a 0.60 (4): 0.40 (4) ratio using the X-ray determination. In this study, the title compound has been characterized by FT-IR and X-ray diffraction. The redetermination showed that the title compound has only enol (OH) form because of lack of the NH stretching vibration in FT-IR spectrum. In addition, the molecular structure and tautomerism of the title compound have been discussed.

  8. 2-[(1-Methyl-1H-pyrrol-2-yl)carbonyl­meth­yl]isoindoline-1,3-dione

    PubMed Central

    Schlosser, Joachim; Schollmeyer, Dieter; Laufer, Stefan; Peifer, Christian

    2009-01-01

    The asymmetric unit of the title compound, C15H12N2O3, contains two almost identical mol­ecules forming an nearly C 2-symmetric dimeric pattern. The dihedral angles between the pyrrole ring and the phthalimide unit are 82.95 (8) and 86.57 (8)° for the two mol­ecules. Within such a dimer, the phthalimide units of the two mol­ecules form a dihedral angle of 1.5 (5)°. PMID:21577840

  9. 3-Methyl-1-(prop-2-en-1-yl)quinoxalin-2(1H)-one

    PubMed Central

    Ramli, Youssef; Slimani, Rachid; Zouihri, Hafid; Lazar, Saïd; Essassi, E. M.

    2010-01-01

    In the mol­ecule of the title compound, C12H12N2O, the quinoxaline ring is planar with an r.m.s. deviation of 0.007 (15) Å. The dihedral angle between the quinoxaline and propenyl planes is 82.1 (2)°. The crystal packing is stabilized by offset π–π stacking between the quinoxaline rings [centroid–centroid distance = 3.8832 (9) Å]. PMID:21587981

  10. Determination of the total inductance of TPF-I

    NASA Astrophysics Data System (ADS)

    Kunamaspakorn, T.; Poolyarat, N.; Picha, R.; Promping, J.; Onjun, T.

    2015-05-01

    Thailand Plasma Focus I (TPF-I) is a dense plasma focus device which was developed as a collaborative project among Thailand Institute of Nuclear Technology, Sirindhorn International Institute of Technology and Thammasat university. It aims to be a radiation source for academic research. This device has a power of 6 kJ. In this work, a Rogowski coils was used for measuring high speed current pulse to capture electric signal during operation TPF-I. By determining period of the discharge, it was found that the total inductance of TPF-I is about 216±12 nH, which is in agreement with Lee model.

  11. Bis(2-phenyl­biguanidium) adipate tetra­hydrate

    PubMed Central

    Matulková, Irena; Císařová, Ivana; Němec, Ivan

    2011-01-01

    In the title salt, 2C8H12N5 +·C6H8O4 2−·4H2O, the anion is located on a centre of symmetry. The observed supra­molecular network of the crystal structure is produced by ten different hydrogen bonds of the N—H⋯N, N—H⋯O and O—H⋯O types. One additional O—H group is not connected to an acceptor site. PMID:21522629

  12. SEPARATING HAFNIUM FROM ZIRCONIUM

    DOEpatents

    Lister, B.A.J.; Duncan, J.F.; Hutcheon, J.M.

    1956-08-21

    Substantially complete separation of zirconium from hafnium may be obtained by elution of ion exchange material, on which compounds of the elements are adsorbed, with an approximately normal solution of sulfuric acid. Preferably the acid concentration is between 0.8 N amd 1.2 N, amd should not exceed 1.5 N;. Increasing the concentration of sulfate ion in the eluting solution by addition of a soluble sulfate, such as sodium sulfate, has been found to be advantageous. The preferred ion exchange materials are sulfonated polystyrene resins such as Dowex 50,'' and are preferably arranged in a column through which the solutions are passed.

  13. catena-Poly[[(5,5′-dimethyl-2,2′-bi­pyridine-κ2 N,N′)cadmium(II)]-di-μ-iodido

    PubMed Central

    Ahmadi, Roya; Kalateh, Khadijeh; Amani, Vahid

    2010-01-01

    In the title coordination polymer, [CdI2(C12H12N2)]n, the Cd2+ ion lies on a twofold rotation axis: it is six-coordinated in a distorted cis-CdN2I4 octa­hedral geometry by two N atoms from a chelating 5,5′-dimethyl-2,2′-bipyridine ligands and four bridging iodide anions. The bridging function of the iodide ions leads to a chain structure propagating in [001]. PMID:21579044

  14. Crystal structure of 2-oxo-N′-phenyl-2H-chromene-3-carbohydrazide

    PubMed Central

    Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.

    2015-01-01

    In the title compound, C16H12N2O3, the 2H-chromene moiety is essentially planar, with an r.m.s. deviation of the nine constituent atoms from the mean plane of 0.0093 Å, and makes a dihedral angle of 76.84 (3)° with the pendant phenyl ring. An intra­molecular N—H⋯O hydrogen bond helps to determine the conformation of the side chain. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds link the mol­ecules, forming [100] chains. PMID:26870466

  15. Structure and spectroscopic properties of N,S-coordinating 2-methyl­sulfanyl-N-[(1H-pyrrol-2-yl)methyl­idene]aniline methanol monosolvate

    PubMed Central

    Richards, D. Douglas; Ang, M. Trisha C.; McDonald, Robert; Bierenstiel, Matthias

    2015-01-01

    The reaction of pyrrole-2-carboxaldehyde and 2-(methyl­sulfan­yl)aniline in refluxing methanol gave an olive-green residue in which yellow crystals of the title compound, C12H12N2S·CH3OH, were grown from slow evaporation of methanol at 263 K. In the crystal, hydrogen-bonding inter­actions link the aniline mol­ecule and a nearby methanol solvent mol­ecule. These units are linked by a pair of weak C—H⋯Omethanol interactions, forming inversion dimers consisting of two main molecules and two solvent molecules. PMID:26594390

  16. Should we Teach Primary Pupils about Chemical Change?

    NASA Astrophysics Data System (ADS)

    Papageorgiou, George; Grammaticopoulou, Maria; Johnson, Phil Michael

    2010-08-01

    Thirty-six pupils from three sixth-grade classes (ages 11/12, n = 75) in Greece were interviewed pre- and post-intervention in a piece of research on explanations of chemical phenomena. Software concerning chemical phenomena was incorporated in a teaching scheme, where the particle theory was used. After a 13 hour intervention, pupils' explanations were categorized in five discrete categories. Only a few pupils could give satisfactory explanations, involving the integration of particle ideas at the level of atoms. The idea of chemical change seemed to be very difficult for the majority of pupils. Implications for the teaching of chemical phenomena at young ages are discussed.

  17. The magnitude of a human bite measured exactly at the molar Intercuspidation using FBG

    NASA Astrophysics Data System (ADS)

    Marin, Gabriela Costa; Milczewski, Maura S.; Abe, Ilda; Lopes, Stephani C. P. S.; Camargo, Elisa S.; Kalinowski, Hypolito J.

    2014-05-01

    The aim of the study is to develop a new punctual method to determine the human bite force, between uppers and lowers first molars, at the moment of occlusion in maximum intercuspation. Fibre optic Bragg gratings are encapsulated in an acetate splint made by casting of a volunteer lower dentition. Splint sensor was positioned into the mouth to be pressured with minimal occlusal interference. The transversal pressure on the FBG was acquired at the moment of before occlusion (free), occlusion and biting. The measured forces were 12N during occlusion and 28N bite force, between right uppers and lowers first molars.

  18. 2-[(1H-Benzimidazol-1-yl)meth­yl]phenol benzene hemisolvate

    PubMed Central

    Rivera, Augusto; Jiménez-Cruz, Leonardo; Bolte, Michael

    2014-01-01

    In the title solvate, C14H12N2O·0.5C6H6, the complete benzene molecule is generated by a crystallographic inversion centre. The dihedral angle between the planes of the benzimidazole moiety and the phenol substituent is 75.28 (3)°. In the crystal, O—H⋯N hydrogen bonds link the mol­ecules into parallel chains propagating along [100]. The mol­ecules are further connected by C—H⋯π inter­actions. PMID:24764892

  19. Transverse and longitudinal beam dynamics studies at the Fermilab photoinjector

    SciTech Connect

    Carneiro, J.P.; Barov, N.; Edwards, H.; Fitch, M.; Hartung, W.; Flottmann, K.; Schreiber, S.; Ferrario, M.; /Frascati

    2005-01-01

    The Fermilab photoinjector produces electron bunches of 1-12 nC charge with an energy of 16-18 MeV. Detailed measurements and optimization of the transverse emittance have been carried out for a number of beam line optics conditions, and at a number of beam line locations. The length of the bunches has also been measured, first for an uncompressed beam (as a function of the charge) and then for a compressed beam of 8 nC charge (as a function of the 9-cell cavity phase). These measurements are presented and compared with the simulation codes HOMDYN and ASTRA.

  20. N-[1-(1H-Pyrrol-2-yl)ethyl­idene]aniline

    PubMed Central

    Su, Bi-Yun; Li, Lei; Wang, Jia-Xiang; Li, Xuan-Yan

    2012-01-01

    There are two independent mol­ecules in the asymmetric unit of the title compound, C12H12N2, in which the pyrrole and benzene rings form dihedral angles of 72.37 (7) and 82.34 (8)°. The imino N—C bond lengths in the two mol­ecules are equal [1.286 (2) Å] and indicate C=N character. In the crystal, each mol­ecule forms a dimer with an inversion-related mol­ecule through a pair of classical N—H⋯N hydrogen bonds. PMID:23125684

  1. Transformation of a fragment of beta-structural bacteriophage T4 adhesin to stable alpha-helical trimer.

    PubMed

    Miroshnikov, K A; Sernova, N V; Shneider, M M; Mesyanzhinov, V V

    2000-12-01

    Gene product 12 of bacteriophage T4, adhesin, serves to adhere the virus to host cells. Adhesin is a fibrous homotrimer, and a novel tertiary structure element, a beta-helix, is supposed to be a major structural feature of this protein. We have constructed two truncated gp12 mutants, 12N1 and 12N2, containing 221 and 135 N-terminal residues, respectively. When expressed in E. coli cells, these gp12 fragments formed labile beta-structural trimers. Another hybrid protein, 12FN, containing 179 N-terminal amino acid residues of gp12 fused to the C-terminal domain (31 amino acids) of T4 fibritin, was shown to have a trimeric proteolytically resistant alpha-helical structure. This structure is probably similar to that of fibritin, which has a triple alpha-helical coiled-coil structure. Hence, we have demonstrated the possibility of global transformation of fibrous protein structure using fusion with a C-terminal domain that initiates trimerization. PMID:11173503

  2. Single Laboratory Validation of A Ready-to-Use Phosphatase Inhibition Assay for Detection of Okadaic Acid Toxins

    PubMed Central

    Smienk, Henry G. F.; Calvo, Dolores; Razquin, Pedro; Domínguez, Elena; Mata, Luis

    2012-01-01

    A phosphatase inhibition assay for detection of okadaic acid (OA) toxins in shellfish, OkaTest, was single laboratory validated according to international recognized guidelines (AOAC, EURACHEM). Special emphasis was placed on the ruggedness of the method and stability of the components. All reagents were stable for more than 6 months and the method was highly robust under normal laboratory conditions. The limit of detection and quantification were 44 and 56 µg/kg, respectively; both below the European legal limit of 160 µg/kg. The repeatability was evaluated with 2 naturally contaminated samples. The relative standard deviation (RSD) calculated was 1.4% at a level of 276 µg/kg and 3.9% at 124 µg/kg. Intermediate precision was estimated by testing 10 different samples (mussel and scallop) on three different days and ranged between 2.4 and 9.5%. The IC50 values of the phosphatase used in this assay were determined for OA (1.2 nM), DTX-1 (1.6 nM) and DTX-2 (1.2 nM). The accuracy of the method was estimated by recovery testing for OA (mussel, 78–101%; king scallop, 98–114%), DTX-1 (king scallop, 79–102%) and DTX-2 (king scallop, 93%). Finally, the method was qualitatively compared to the mouse bioassay and LC-MS/MS. PMID:22778904

  3. Flight evaluation of the terminal guidance system

    NASA Technical Reports Server (NTRS)

    Sandlin, D. R.

    1981-01-01

    The terminal guidance system (TGS) is avionic equipment which gives guidance along a curved descending flight path to a landing. A Cessna 182 was used as the test aircraft and the TGS was installed and connected to the altimeter, DME, RMI, and gyro compass. Approaches were flown by three different pilots. When the aircraft arrives at the termination point, it is set up on final approach for a landing. The TGS provides guidance for curved descending approaches with guideslopes of 6 deg which required, for experienced pilots, workloads that are approximately the same as for an ILS. The glideslope is difficult to track within 1/2 n.m. of the VOR/DME station. The system permits, for experienced pilots, satisfactory approaches with a turn radius as low as 1/2 n.m. and a glideslope of 6 deg. Turn angles have little relation to pilot workload for curved approaches. Pilot experience is a factor for curved approaches. Pilots with low instrument time have difficulty flying steep approaches with small turn radius. Turbulence increases the pilot workload for curved approaches. The TGS does not correct to a given flight path over the ground nor does it adequately compensate for wind drift.

  4. Theoretical study of line and boundary tension in adsorbed colloid-polymer mixtures.

    PubMed

    Koning, Jesper; Vandecan, Yves; Indekeu, Joseph

    2014-07-28

    An extended theoretical study of interface potentials in adsorbed colloid-polymer mixtures is performed. To describe the colloid-polymer mixture near a hard wall, a simple Cahn-Nakanishi-Fisher free-energy functional is used. The bulk phase behaviour and the substrate-adsorbate interaction are modelled by the free-volume theory for ideal polymers with polymer-to-colloid size ratios q = 0.6 and q = 1. The interface potentials are constructed with help from a Fisher-Jin crossing constraint. By manipulating the crossing density, a complete interface potential can be obtained from natural, single-crossing, profiles. The line tension in the partial wetting regime and the boundary tension along prewetting are computed from the interface potentials. The line tensions are of either sign, and descending with increasing contact angle. The line tension takes a positive value of 10(-14)-10(-12) N near a first-order wetting transition, passes through zero and decreases to minus 10(-14)-10(-12) N away from the first-order transition. The calculations of the boundary tension along prewetting yield values increasing from zero at the prewetting critical point up to the value of the line tension at first-order wetting. PMID:25084953

  5. Theoretical study of line and boundary tension in adsorbed colloid-polymer mixtures

    NASA Astrophysics Data System (ADS)

    Koning, Jesper; Vandecan, Yves; Indekeu, Joseph

    2014-07-01

    An extended theoretical study of interface potentials in adsorbed colloid-polymer mixtures is performed. To describe the colloid-polymer mixture near a hard wall, a simple Cahn-Nakanishi-Fisher free-energy functional is used. The bulk phase behaviour and the substrate-adsorbate interaction are modelled by the free-volume theory for ideal polymers with polymer-to-colloid size ratios q = 0.6 and q = 1. The interface potentials are constructed with help from a Fisher-Jin crossing constraint. By manipulating the crossing density, a complete interface potential can be obtained from natural, single-crossing, profiles. The line tension in the partial wetting regime and the boundary tension along prewetting are computed from the interface potentials. The line tensions are of either sign, and descending with increasing contact angle. The line tension takes a positive value of 10-14-10-12 N near a first-order wetting transition, passes through zero and decreases to minus 10-14-10-12 N away from the first-order transition. The calculations of the boundary tension along prewetting yield values increasing from zero at the prewetting critical point up to the value of the line tension at first-order wetting.

  6. Effects of static fingertip loading on carpal tunnel pressure

    NASA Technical Reports Server (NTRS)

    Rempel, D.; Keir, P. J.; Smutz, W. P.; Hargens, A.

    1997-01-01

    The purpose of this study was to explore the relationship between carpal tunnel pressure and fingertip force during a simple pressing task. Carpal tunnel pressure was measured in 15 healthy volunteers by means of a saline-filled catheter inserted percutaneously into the carpal tunnel of the nondominant hand. The subjects pressed on a load cell with the tip of the index finger and with 0, 6, 9, and 12 N of force. The task was repeated in 10 wrist postures: neutral; 10 and 20 degrees of ulnar deviation; 10 degrees of radial deviation; and 15, 30, and 45 degrees of both flexion and extension. Fingertip loading significantly increased carpal tunnel pressure for all wrist angles (p = 0.0001). Post hoc analyses identified significant increase (p < 0.05) in carpal tunnel pressure between unloaded (0 N) and all loaded conditions, as well as between the 6 and 12 N load conditions. This study demonstrates that the process whereby fingertip loading elevates carpal tunnel pressure is independent of wrist posture and that relatively small fingertip loads have a large effect on carpal tunnel pressure. It also reveals the response characteristics of carpal tunnel pressure to fingertip loading, which is one step in understanding the relationship between sustained grip and pinch activities and the aggravation or development of median neuropathy at the wrist.

  7. Experimental study of neutrino absorption on carbon

    SciTech Connect

    Krakauer, D.A.; Talaga, R.L. ); Allen, R.C.; Chen, H.H.; Hausammann, R.; Lee, W.P.; Mahler, H.J.; Lu, X.Q.; Wang, K.C. ); Bowles, T.J.; Burman, R.L.; Carlini, R.D.; Cochran, D.R.F.; Doe, P.J.; Frank, J.S.; Piasetzky, E.; Potter, M.E.; Sandberg, V.D. )

    1992-05-01

    The process of electron emission from {similar to}30 MeV neutrino absorption on carbon, {sup 12}C({nu}{sub {ital e}},{ital e}{sup {minus}}){sup 12}N, has been observed. The flux-weighted total cross section for the exclusive neutrino-induced nuclear transition {sup 12}C({nu}{sub {ital e}},{ital e}{sup {minus}}){sup 12}N(g.s.) is (1.05{plus minus}0.10(stat){plus minus}0.10(syst)){times}10{sup {minus}41} cm{sup 2}. The measured cross section and angular distribution {ital d}{sigma}/{ital d}{Omega} are in agreement with theoretical estimates. The inclusive {nu}{sub {ital e}} {sup 12}C reaction rate, which accounted for the majority of all neutrino interactions observed in this experiment, was determined from a detailed fit of energy and angular distributions for the observed electrons. The inclusive {sup 12}C({nu}{sub {ital e}},{ital e}{sup {minus}}){ital X} cross section is measured to be (1.41{plus minus}0.23(tot)){times}10{sup {minus}41} cm{sup 2}. An upper limit for the sum of the {sup 13}C({nu}{sub {ital e}},{ital e}{sup {minus}}){ital X}+{sup 27}Al({nu}{sub {ital e}},{ital e}{sup {minus}}){ital X} inclusive absorption cross sections is presented.

  8. [Living conditions, nutritional status and morbidity in children in prisons and detention centers in Burkina Faso].

    PubMed

    Ye, D; Zoma, A; Kabore, A; Yonaba, C; Savadogo, H; Ouedraogo, S A P; Dao, L; Koueta, F

    2015-01-01

    In Burkina Faso, although children are sometimes separated from adults in prisons, they still live in the same conditions of overcrowding, which can reach 180% of the capacity. The aim of our study was to describe living conditions, nutritional status, and morbidity of children in detention centers of Burkina Faso. The objective of this cross-sectional descriptive study is to describe the social and health conditions of children held in 20 detention centers in Burkina Faso. During the study period, 109 children, with a mean age of 16.3 years, were examined in 20 correction centers. The main reason for incarceration was theft (66% cases, n = 72). Detention exceeded more than one month for 76 children (70%), and 59% (N = 46) had had fewer than one visit per month since their incarceration. Of these 20 facilities, 6 had no separate quarters for children. The main symptoms and diseases encountered in these children were fever in 19% of the cases (N = 16), macroscopic hematuria in 13% (N = 11), urinary tract infection in 12% (N = 10) and diarrhea in 12% (N = 10). These results show that there is a need to take preventive measures to protect these children's health, especially by improving the quality of living conditions in detention center. PMID:26038843

  9. Determination of multielements in a typical Japanese diet certified reference material by instrumental neutron activation analysis.

    PubMed

    Suzuki, Shogo; Okada, Yukiko; Hirai, Shoji

    2003-08-01

    Multielements in a typical Japanese diet certified reference material prepared at the National Institute for Environmental Studies (NIES) of Japan, in collaboration with the National Institute of Radiological Sciences (NIRS) of Japan were determined by instrumental neutron activation analysis (INAA). Five samples (ca. 510-1000 mg) and comparative standards were irradiated for a short time (10 s) at a thermal neutron flux of 1.5 x 10(12) n cm(-2) s(-1) (pneumatic transfer) and for a long time (6 h) at a thermal neutron flux of 3.7 x 10(12) n cm(-2) s(-1) (central thimble) in the Rikkyo University Research Reactor (TRIGA Mark-II, 100 kW). The irradiated samples were measured by conventional gama-ray spectrometry using a coaxial Ge detector, and by anti-coincidence and coincidence gamma-ray spectrometry with a coaxial Ge detector and a well-type NaI(Tl) detector. The concentrations of 38 elements were determined by these methods. PMID:12945682

  10. A new two-component integrable system with peakon solutions

    PubMed Central

    Xia, Baoqiang; Qiao, Zhijun

    2015-01-01

    A new two-component system with cubic nonlinearity and linear dispersion: mt=bux+12[m(uv−uxvx)]x−12m(uvx−uxv),nt=bvx+12[n(uv−uxvx)]x+12n(uvx−uxv),m=u−uxx,n=v−vxx,where b is an arbitrary real constant, is proposed in this paper. This system is shown integrable with its Lax pair, bi-Hamiltonian structure and infinitely many conservation laws. Geometrically, this system describes a non-trivial one-parameter family of pseudo-spherical surfaces. In the case b=0, the peaked soliton (peakon) and multi-peakon solutions to this two-component system are derived. In particular, the two-peakon dynamical system is explicitly solved and their interactions are investigated in details. Moreover, a new integrable cubic nonlinear equation with linear dispersion mt=bux+12[m(|u|2−|ux|2)]x−12m(uux∗−uxu∗),m=u−uxx,is obtained by imposing the complex conjugate reduction v=u* to the two-component system. The complex-valued N-peakon solution and kink wave solution to this complex equation are also derived. PMID:25792956

  11. In Vitro Activity of Quaternary Ammonium Surfactants against Streptococcal, Chlamydial, and Gonococcal Infective Agents.

    PubMed

    Inácio, Ângela S; Nunes, Alexandra; Milho, Catarina; Mota, Luís Jaime; Borrego, Maria J; Gomes, João P; Vaz, Winchil L C; Vieira, Otília V

    2016-06-01

    Quaternary ammonium compounds (QAC) are widely used, cheap, and chemically stable disinfectants and topical antiseptics with wide-spectrum antimicrobial activities. Within this group of compounds, we recently showed that there are significant differences between the pharmacodynamics of n-alkyl quaternary ammonium surfactants (QAS) with a short (C12) alkyl chain when in vitro toxicities toward bacterial and mammalian epithelial cells are compared. These differences result in an attractive therapeutic window that justifies studying short-chain QAS as prophylactics for sexually transmitted infections (STI) and perinatal vertically transmitted urogenital infections (UGI). We have evaluated the antimicrobial activities of short-chain (C12) n-alkyl QAS against several STI and UGI pathogens as well as against commensal Lactobacillus species. Inhibition of infection of HeLa cells by Neisseria gonorrhoeae and Chlamydia trachomatis was studied at concentrations that were not toxic to the HeLa cells. We show that the pathogenic bacteria are much more susceptible to QAS toxic effects than the commensal vaginal flora and that QAS significantly attenuate the infectivity of N. gonorrhoeae and C. trachomatis without affecting the viability of epithelial cells of the vaginal mucosa. N-Dodecylpyridinium bromide (C12PB) was found to be the most effective QAS. Our results strongly suggest that short-chain (C12) n-alkyl pyridinium bromides and structurally similar compounds are promising microbicide candidates for topical application in the prophylaxis of STI and perinatal vertical transmission of UGI. PMID:26976875

  12. An unusual hybrid fluoride featuring a [V{sub 7}F{sub 27}]{sup 6-} chain motif based on a pyrochlore-like building unit

    SciTech Connect

    Aldous, David W.; Slawin, Alexandra M.Z.; Lightfoot, Philip

    2008-11-15

    A new hybrid vanadium (III) fluoride [C{sub 4}H{sub 12}N{sub 2}]{sub 3}[V{sub 7}F{sub 27}] has been synthesised solvothermally. The crystal structure (trigonal, R3-bar c; a=17.367(2) A, c=19.604(2) A) reveals an unusual and novel chain motif consisting of pyrochlore-like heptameric units of corner-sharing octahedra, which are further linked into linear chains of alternating triple and single octahedral groups. The chains are separated by hydrogen-bonded piperazinium moieties. Magnetic susceptibility data show moderate antiferromagnetic interactions but no long-range order above 2 K, consistent with pronounced one-dimensional character, as well as frustration arising within the triangular units of magnetic ions in the chains. - Graphical abstract: A unique chain-structure vanadium(III) fluoride [C{sub 4}H{sub 12}N{sub 2}]{sub 3}[V{sub 7}F{sub 27}], based on a pyrochlore-like building unit, has been prepared solvothermally. Despite antiferromagnetic interactions, no long-range magnetic order occurs above 2 K, suggesting possible frustration.

  13. Ethyl acetate-n-butanol gradient solvent system for high-speed countercurrent chromatography to screen bioactive substances in okra.

    PubMed

    Ying, Hao; Jiang, Heyuan; Liu, Huan; Chen, Fangjuan; Du, Qizhen

    2014-09-12

    High-speed countercurrent chromatographic separation (HSCCC) possesses the property of zero-loss of sample, which is very useful for the screening of bioactive components. In the present study, the ethyl acetate-n-butanol gradient HSCCC solvent system composed of n-hexane-ethyl acetate-n-butanol-water was investigated for the screening of bioactive substances. To screen the antiproliferative compounds in okra extract, we used the stationary phase ethyl acetate-n-butanol-water (1:1:10) as the stationary phase, and eluted the antiproliferative components by 6-steps of gradient using mobile phases n-hexane-ethyl acetate (1:2), n-hexane-ethyl acetate (1:4), n-hexane-ethyl acetate (0:4), n-butanol-ethyl acetate (1:4) n-butanol-ethyl acetate (1:2), n-butanol-ethyl acetate (2:2), and n-butanol-ethyl acetate (2:1). The fractions collected from HSCCC separation with the gradient solvent system were assayed for antiproliferative activity against cancer cells. Bioactive components were identified: a major anti-cancer compound, 4'-hydroxy phenethyl trans-ferulate, with middle activity, and a minor anti-cancer compound, carolignan, with strong activity. The result shows that the gradient solvent system is potential for the screening of bioactive compounds from natural products. PMID:25069743

  14. Eu(2+)-Activated Phase-Pure Oxonitridosilicate Phosphor in a Ba-Si-O-N System via Facile Silicate-Assisted Routes Designed by First-Principles Thermodynamic Simulation.

    PubMed

    Yun, Young Jun; Kim, Jin Kyu; Ju, Ji Young; Choi, Seul Ki; Park, Woon Ik; Jung, Ha-Kyun; Kim, Yongseon; Choi, Sungho

    2016-09-01

    Eu(2+)-activated single phase Ba(2+)-oxonitridosilicate phosphors were prepared under a mild synthetic condition via silicate precursors, and their luminescent properties were investigated. Both the preferred oxonitridosilicate formation as for the available host compounds and thermodynamic stability within the Ba-Si-O-N system were elucidated in detail by the theoretical simulation based on the first-principles density functional theory. Those results can visualize the optimum synthetic conditions for Eu(2+)-activated highly luminescent Ba(2+)-oxonitridosilicates, especially Ba3Si6O12N2, as promising conversion phosphors for white LEDs, including Ba3Si6O9N4 and BaSi2O2N2 phases. To prove the simulated design rule, we synthesized the Ba3Si6O12N2:Eu(2+) phosphor using various silicate precursors, Ba2Si4O10, Ba2Si3O8, and BaSiO3, in a carbothermal reduction ambient and finally succeeded in obtaining a phase of pure highly luminescent oxonitridosilicate phosphor without using any solid-state nitride addition and/or high pressure synthetic procedures. Our study provides useful guidelines for robust synthetic procedures for developing thermally stable rare-earth-ion activated oxonitridosilicate phosphors and an established simulation method that can be effectively applied to other multigas systems. PMID:27518370

  15. Contemporary carbon content of bis (2-ethylhexyl) phthalate in butter.

    PubMed

    Tong, T; Ondov, J M; Buchholz, B A; VanDerveer, M C

    2016-01-01

    The fraction of naturally produced bis (2-ethylhexyl) phthalate (DEHP), a ubiquitous plasticizer known to contaminate packaged foods, was determined for each of five 1.10 kg samples of unsalted market butter by accelerator mass spectrometry (AMS). After extraction and concentration enrichment with liquid-liquid extraction, flash column chromatography, and preparative-scale high performance liquid chromatography, each sample provided ≈ 250 μg extracts of DEHP with carbon purity ranging from 92.5 ± 1.2% (n = 3, 1σ) to 97.1 ± 0.8% (n = 3, 1σ) as measured with gas chromatography mass spectrometry (GC-MS). After corrections for method blank DEHP, co-eluting compounds, and unidentified carbon, the mean fraction of naturally produced DEHP in butter was determined to be 0.16 ± 0.12 (n = 5, 1σ). To our knowledge, this is the first report of the contemporary fraction of DEHP isolated from market butter in the U.S. PMID:26213077

  16. The isotropic condition of energetic particles emitted from a large solar flare. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Spalding, J.

    1983-01-01

    Isotope abundance ratios for 5 to 50 MeV/nuc nuclei from a large solar flare were measured. The measurements were made by the heavy isotope spectrometer telescope (HIST) on the ISEE-3 satellite orbiting the Sun near an Earth-Sun liberation point approximately one million miles sunward of the Earth. Finite values for the isotope abundance ratios C-13/C-12, N-15/N-14, O-18/O-16, Ne-22/Ne-20, Mg-25/Mg-24, and Mg-26/Mg-24, and upper limits for the isotope abundance ratios He-3/He-4, C-14/C-12, O-17/O-16 and Ne-21/Ne-20 were reported. Element abundances and spectra were measured to compare the flare with other reported flares. The flare is a typical large flare with low Fe/O abundance or = to 0.1). For C-13/C-12, N-15/N-14, O-18/O-16, Mg-25/Mg-24 and Mg-26/Mg-24 isotope abundance ratios agree with the solar system abundance ratios. Measurement for Ne-22/Ne-20 agree with the isotopic composition of the meteoritic component neon-A.

  17. Exact relations between the moments of dissipation and longitudinal velocity derivatives in turbulent flows.

    PubMed

    Boschung, Jonas

    2015-10-01

    Following an approach by Siggia, we present coefficients C(n) relating the moments of the dissipation of kinetic energy 〈ɛ〉 and the longitudinal velocity gradient 〈∂u(1)/∂x(1)〉 under the assumption of isotropy and continuity. Particularly, we find that the moment 〈ɛ(n)〉 of order n is completely determined by 〈(∂u(1)/∂x(1))(2n)〉 and an order- (and viscosity-) dependent coefficient for all n under the assumption of (local) isotropy. This implies that all theories which specify 〈ɛ(n)〉 also implicitly determine 〈(∂u(1)/∂x(1))(2n)〉 and vice versa. As a corollary to the direct connection between the moments of the dissipation and the longitudinal velocity gradient, the even standardized moments of order 2n of ∂u(1)/∂x(1) (flatness, hyperflatness, and so on) are directly related to the ratio of the moments 〈ɛ(n)〉/〈ɛ〉(n). We compare the theoretical values of the coefficients C(n) up to n=6 with homogeneous isotropic DNS data ranging from Re(λ)=88 to Re(λ)=529. PMID:26565338

  18. The fate of accreted CNO elements in neutron star atmospheres - X-ray bursts and gamma-ray lines

    NASA Technical Reports Server (NTRS)

    Bildstein, Lars; Salpeter, Edwin E.; Wasserman, Ira

    1992-01-01

    The fate of incident C-12, N-14, and O-16 in accreting neutron star atmospheres is described. When the accreting material is stopped by Coulomb collisions with atmospheric electrons, all incoming elements heavier than helium thermalize at higher altitudes in the atmosphere than the accreting protons. The incoming protons and helium then destroy the elements via nuclear spallation reactions. A small fraction of the nuclear reactions cause nuclear excitation and subsequent gamma-ray emission. The probability for a nucleus to survive this bombardment depends on how long it spends in the hazardous region of the atmosphere. The fractions of incident C-12, N-14, and O-16 that survive proton bombardment are calculated as a function of the accretion rate, and the mass and radius of the neutron star. The subsequent paucity of CNO nuclei decreases hydrogen-burning rates in the deep regions of the atmosphere, thereby reducing the amount of helium available for the unstable nuclear flashes that cause type I X-ray bursts. The gamma-ray line emission from this collisional deceleration scenario is determined.

  19. Hybrid baryons in QCD

    DOE PAGESBeta

    Dudek, Jozef J.; Edwards, Robert G.

    2012-03-21

    In this study, we present the first comprehensive study of hybrid baryons using lattice QCD methods. Using a large basis of composite QCD interpolating fields we extract an extensive spectrum of baryon states and isolate those of hybrid character using their relatively large overlap onto operators which sample gluonic excitations. We consider the spectrum of Nucleon and Delta states at several quark masses finding a set of positive parity hybrid baryons with quantum numbersmore » $$N_{1/2^+},\\,N_{1/2^+},\\,N_{3/2^+},\\, N_{3/2^+},\\,N_{5/2^+},\\,$$ and $$\\Delta_{1/2^+},\\, \\Delta_{3/2^+}$$ at an energy scale above the first band of `conventional' excited positive parity baryons. This pattern of states is compatible with a color octet gluonic excitation having $$J^{P}=1^{+}$$ as previously reported in the hybrid meson sector and with a comparable energy scale for the excitation, suggesting a common bound-state construction for hybrid mesons and baryons.« less

  20. Carbide and nitride precipitation during laser cladding of Inconel 718 alloy coatings

    NASA Astrophysics Data System (ADS)

    Zhang, Yaocheng; Li, Zhuguo; Nie, Pulin; Wu, Yixiong

    2013-11-01

    The microstructure of the laser clad Inconel 718 alloy coating was observed by scanning electron microscope (SEM). The chemical composition of precipitation phases was investigated by energy dispersive spectrometer (EDS) and solid phase microextraction (SPME). The crystal structure and lattice constants of precipitation are determined by transmission electron microscope (TEM). Vickers hardness of the coatings and the nanohardness of the interstitial phases were measured. The insular carbide (MC) and the tetragonal nitride (MN) with face-centered cubic (FCC) structure are rich in Ti and Nb but depleted in Ni, Fe and Cr due to the interdiffusion and redistribution of alloying elements between MC and MN and supersaturated matrix. MC and MN were precipitated in the forms of (Nb0.12Ti0.88)C1.5 and (Nb0.88Ti0.12)N1.5, and the Gibbs free energies of formation can be expressed as Δ G [ (Nb0.12Ti0.88)C1.5 ] 0 = - 122.654 - 3.1332 T (kJ /mol) and Δ G [ (Nb0.88Ti0.12)N1.5 ] 0 = - 157.814 - 3.0251 T (kJ /mol). The nanohardness and Young's modulus of the MC and MN were much higher than the matrix, and the plastic deformation energy of interstitial phases was lower than the matrix. The precipitation of MC and MN is beneficial to the mechanical properties of coating.

  1. The effect of copolymers on the interfaces in incompatible homopolymers blend: Molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Ryu, Jiho; Lee, Won Bo

    2015-03-01

    Using molecular dynamics simulations the effect of copolymers as compatibilizer for reducing interfacial tension and enhancement of interfacial adhesion at the interface of thermodynamic unfavorable homopolymers blend is studied with block- and graft-copolymers. We have calculated local pressure tensor of system along the axis perpendicular to interface, varying bending potential energy of one part, which consist of just one kind of beads, of copolymer chain to examine the effect of stiffness of surfactin molecules. Here we consider symmetric diblock copolymer (f =1/2) having 1/2 N make of beads of type A and the other part made of beads of type B, and graft copolymer having backbone linear chain consist of 1/2 N beads of type of A and branched with two side-chain consist of 1/4 N beads of type B. All simulations were performed under the constant NPT ensemble at T* =1, ρ* ~0.85. Also we studied changes of effect of copolymers with increasing pairwise repulsive interaction potential between two beads of types A and B while homopolymers chain length are fixed, N =30. Chemical and Biomolecular Engineering, Sogang University, Seoul, South Korea.

  2. Deep Microbial Ecosystems in the U.S. Great Basin: A Second Home for Desulforudis audaxviator?

    NASA Astrophysics Data System (ADS)

    Moser, D. P.

    2012-12-01

    Deep subsurface microbial ecosystems have attracted scientific and public interest in recent years. Of deep habitats so far investigated, continental hard rock environments may be the least understood. Our Census of Deep Life (CoDL) project targets deep microbial ecosystems of three little explored (for microbiology), North American geological provinces: the Basin and Range, Black Hills, and Canadian Shield. Here we focus on the Basin and Range, specifically radioactive fluids from nuclear device test cavities (U12N.10 tunnel and ER-EC-11) at the Nevada National Security Site (NNSS) and non-radioactive samples from a deep dolomite aquifer associated with Death Valley, CA (BLM-1 and Nevares Deep Well 2). Six pyrotag sequencing runs were attempted at the Marine Biology Lab (MBL) (bacterial v6v4 amplification for all sites and archaeal v6v4 amplification for BLM-1 and Nevares DW2). Of these, DNA extracts from five samples (all but Nevares DW2 Arch) successfully amplified. Bacterial libraries were generally dominated by Proteobacteria, Firmicutes, and Nitrospirae (ER-EC-11: Proteobacteria (45%), Deinococcus-Thermus (35%), Firmicutes (15%); U12N.10: Proteobacteria (37%), Firmicutes (32%), Nitrospirae (15%), Bacteroidetes (11%); BLM-1 (Bact): Firmicutes (93%); and Nevares DW2: Firmicutes (51%), Proteobacteria (16%), Nitrospirae (15%)). The BLM-1 (Arch) library contained >99% Euryarchaeota, with 98% of sequences represented by a single uncharacterized species of Methanothermobacter. Alpha diversity was calculated using the MBL VAMPS (Visualization and Analysis of Microbial Population Structures) system; showing the highest richness at both the phylum and genus levels in U12N.10 (Sp = 42; Sg = 341), and the lowest (Sp = 3; Sg = 11) in the BLM-1(Arch) library. Diversity was covered well at this depth of sequencing (~20,000 reads per sample) based on rarefaction analysis. One Firmicute lineage, candidatus D. audaxviator, has been shown to dominate microbial communities from

  3. Effects of chemical alteration on fracture mechanical properties in hydrothermal systems

    NASA Astrophysics Data System (ADS)

    Callahan, O. A.; Eichhubl, P.; Olson, J. E.

    2015-12-01

    Fault and fracture networks often control the distribution of fluids and heat in hydrothermal and epithermal systems, and in related geothermal and mineral resources. Additional chemical influences on conduit evolution are well documented, with dissolution and precipitation of mineral species potentially changing the permeability of fault-facture networks. Less well understood are the impacts of chemical alteration on the mechanical properties governing fracture growth and fracture network geometry. We use double-torsion (DT) load relaxation tests under ambient air conditions to measure the mode-I fracture toughness (KIC) and subcritical fracture growth index (SCI) of variably altered rock samples obtained from outcrop in Dixie Valley, NV. Samples from southern Dixie Valley include 1) weakly altered granite, characterized by minor sericite in plagioclase, albitization and vacuolization of feldspars, and incomplete replacement of biotite with chlorite, and 2) granite from an area of locally intense propylitic alteration with chlorite-calcite-hematite-epidote assemblages. We also evaluated samples of completely silicified gabbro obtained from the Dixie Comstock epithermal gold deposit. In the weakly altered granite KIC and SCI are 1.3 ±0.2 MPam1/2 (n=8) and 59 ±25 (n=29), respectively. In the propylitic assemblage KIC is reduced to 0.6 ±0.1 MPam1/2 (n=11), and the SCI increased to 75 ±36 (n = 33). In both cases, the altered materials have lower fracture toughness and higher SCI than is reported for common geomechanical standards such as Westerly Granite (KIC ~1.7 MPam1/2; SCI ~48). Preliminary analysis of the silicified gabbro shows a significant increase in fracture toughness, 3.6 ±0.4 MPam1/2 (n=2), and SCI, 102 ±45 (n=19), compared to published values for gabbro (2.9 MPam1/2 and SCI = 32). These results suggest that mineralogical and textural changes associated with different alteration assemblages may result in spatially variable rates of fracture initiation and growth in different parts of hydrothermal systems. Contrasting fracture mechanical properties between alteration assemblages may constitute a new mechanism of chemical-mechanical feedback that contributes to the localization of conduits in hydrothermal systems.

  4. Purine 3':5'-cyclic nucleotides with the nucleobase in a syn orientation: cAMP, cGMP and cIMP.

    PubMed

    Řlepokura, Katarzyna Anna

    2016-06-01

    Purine 3':5'-cyclic nucleotides are very well known for their role as the secondary messengers in hormone action and cellular signal transduction. Nonetheless, their solid-state conformational details still require investigation. Five crystals containing purine 3':5'-cyclic nucleotides have been obtained and structurally characterized, namely adenosine 3':5'-cyclic phosphate dihydrate, C10H12N5O6P·2H2O or cAMP·2H2O, (I), adenosine 3':5'-cyclic phosphate 0.3-hydrate, C10H12N5O6P·0.3H2O or cAMP·0.3H2O, (II), guanosine 3':5'-cyclic phosphate pentahydrate, C10H12N5O7P·5H2O or cGMP·5H2O, (III), sodium guanosine 3':5'-cyclic phosphate tetrahydrate, Na(+)·C10H11N5O7P(-)·4H2O or Na(cGMP)·4H2O, (IV), and sodium inosine 3':5'-cyclic phosphate tetrahydrate, Na(+)·C10H10N4O7P(-)·4H2O or Na(cIMP)·4H2O, (V). Most of the cyclic nucleotide zwitterions/anions [two from four cAMP present in total in (I) and (II), cGMP in (III), cGMP(-) in (IV) and cIMP(-) in (V)] are syn conformers about the N-glycosidic bond, and this nucleobase arrangement is accompanied by Crib-H...Npur hydrogen bonds (rib = ribose and pur = purine). The base orientation is tuned by the ribose pucker. An analysis of data obtained from the Cambridge Structural Database made in the context of syn-anti conformational preferences has revealed that among the syn conformers of various purine nucleotides, cyclic nucleotides and dinucleotides predominate significantly. The interactions stabilizing the syn conformation have been indicated. The inter-nucleotide contacts in (I)-(V) have been systematized in terms of the chemical groups involved. All five structures display three-dimensional hydrogen-bonded networks. PMID:27256694

  5. Prevalence of β-Lactamase Producing Escherichia coli from Retail Meat in Turkey.

    PubMed

    Pehlivanlar Önen, Sevda; Aslantaş, Özkan; Şebnem Yılmaz, Ebru; Kürekci, Cemil

    2015-09-01

    Extended spectrum β-lactamase (ESBL) and plasmid-mediated AmpC β-lactamase (pAmpC) producing Escherichia coli have been shown to be present in humans and animals representing a significant problem worldwide. This study aimed to search the presence of ESBL and/or AmpC-producing E. coli in retail meats (chicken and beef) in Turkey. A total of 88 β-lactamase-producing E. coli were isolated from chicken (n = 81/100) and beef meat (n = 7/100) samples and their susceptibility to several antimicrobials were tested using disc diffusion method. E. coli isolates were further characterized for their phylogenetic groups. β-Lactamase encoding (blaTEM , blaSHV , blaOXA , blaCTX-M , and blaAmpC ) and quinolone resistance genes (qnrA, qnrB, qnrS, qepA, and acc(6')-Ib-cr) were also secreened by polymerase chain reaction (PCR). However, in regard to β-lactamase genes, 84 of 88 isolates were positive for blaCTX-M-1 (n = 39), blaCTX-M-3 (n = 5), blaCTX-M-15 (n = 4), blaTEM-1b (n = 2), blaSHV-12 (n = 1), blaCTX-M-1 /blaTEM-1b (n = 10), blaCTX-M-1 /blaTEM-1b /blaSHV-5 (n = 1), blaCTX-M-1 /blaCMY-2 (n = 1) and blaTEM-1b /blaCMY-2 (n = 6), blaCTX-M-15 /blaSHV-12 (n = 1), blaCTX-M-15 /blaTEM-1b (n = 1), blaTEM-1b /blaSHV-12 (n = 1), and blaCMY-2 (n = 12) genes. Resistance to cefuroxime (75.6% and 85.7%), nalidixic acid (89% and 85.7%), tetracycline (91.4% and 100%), streptomycin (40.2% and 100%), and trimethoprim-sulfamethoxazole (36.6% and 85.7%) was observed among strains isolated from chicken and beef, respectively. However, all isolates were found to be susceptible to amikacin, imipenem, and cefepime. Resistance to ampicillin and cefoxitin was significantly linked to blaCMY-2 gene, while there was a significant correlation between CTX-M type ESBL and antimicrobial resistance to cefuroxime and streptomycin (P < 0.05). The results of this study suggest that raw chicken retail meats are highly contaminated with ESBL-producing E. coli implementing a great risk to human health in

  6. Oxygen induces fatty acid (n-6)-desaturation independently of temperature in Acanthamoeba castellanii.

    PubMed

    Thomas, K; Rutter, A; Suller, M; Harwood, J; Lloyd, D

    1998-03-20

    Induction of a microsomal oleate delta12 (n-6) desaturase which is mainly responsible for an increase in membrane lipid unsaturation at low temperature has been observed in the free-living amoeba Acanthamoeba castellanii. In this study we show that the enzyme can also be regulated by oxygen independently of temperature in batch cultures grown to O2-limitation. Raising the oxygen concentration from below the lower limit of detection (< 0.1 microM) to approximately air-saturation (230 microM), whilst maintaining the growth temperature constant (30 degrees C), increased lipid unsaturation and elevated n-6-desaturase activity 2.3-fold. Addition of the protein synthesis inhibitor, anisomycin, showed that increased desaturase activity was due to new protein synthesis rather than activation of pre-existing enzyme. These observations are important for future studies of the mechanism of temperature adaptation in poikilotherms. PMID:9541030

  7. Theoretical screening of intermetallic ThMn12-type phases for new hard-magnetic compounds with low rare earth content

    NASA Astrophysics Data System (ADS)

    Körner, Wolfgang; Krugel, Georg; Elsässer, Christian

    2016-04-01

    We report on theoretical investigations of intermetallic phases derived from the ThMn12-type crystal structure. Our computational high-throughput screening (HTS) approach is extended to an estimation of the anisotropy constant K1, the anisotropy field Ha and the energy product (BH)max. The calculation of K1 is fast since it is based on the crystal field parameters and avoids expensive total-energy calculations with many k-points. Thus the HTS approach allows a very efficient search for hard-magnetic materials for which the magnetization M and the coercive field Hc connected to Ha represent the key quantities. Besides for NdFe12N which has the highest magnetization we report HTS results for several intermetallic phases based on Cerium which are interesting as alternative hard-magnetic phases because Cerium is a less ressource-critical element than Neodymium.

  8. Crystal structure of 3-ferrocenyl-1-phenyl-1H-pyrrole, [Fe(η5-C5H4 cC4H3 NPh)(η5-C5H5)

    PubMed Central

    Pfaff, Ulrike; Korb, Marcus; Lang, Heinrich

    2016-01-01

    The mol­ecular structure of the title compound, [Fe(C5H5)(C15H12N)], consists of a ferrocene moiety with an N-phenyl­pyrrole heterocycle bound to one cyclo­penta­dienyl ring. The 1,3-disubstitution of the pyrrole results in an L-shaped arrangement of the mol­ecule with plane inter­sections of 2.78 (17)° between the pyrrole and the N-bonded phenyl ring and of 8.17 (18)° between the pyrrole and the cyclo­penta­dienyl ring. In the crystal, no remarkable inter­molecular inter­actions are observed PMID:26870594

  9. The pathways for the removal of acrylamide in model systems using glycine based on the identification of reaction products.

    PubMed

    Liu, Jie; Chen, Fang; Man, Yong; Dong, Jing; Hu, Xiaosong

    2011-09-15

    The reaction between acrylamide and glycine was studied in the aqueous model system heated at 150°C. The main reaction products were identified as C5H10N2O3, C8H15N3O4, C7H12N2O5 and C10H17N3O6 using HPLC-MS/MS, IT-TOF and NMR. Both of the critical intermediates were identified as glyoxylic acid and iminodiacetic acid. The pathways for the removal of acrylamide by glycine were proposed as the Michael addition between acrylamide and glycine with or without the initial oxidation of glycine. The changes in the contents of reactants and products provided quantitative evidence for the above pathways. The addition products between acrylamide and other 14 amino acids were identified by HPLC-MS/MS also. PMID:25212154

  10. Studies for development of novel quinazolinones: new biomarker for EGFR.

    PubMed

    Aggarwal, Swati; Sinha, Deepa; Tiwari, Anjani Kumar; Pooja, Pooja; Kaul, Ankur; Singh, Gurmeet; Mishra, Anil Kumar

    2015-05-15

    The binding capabilities of a series of novel quinazolinone molecules were established and stated in a comprehensive computational methodology as well as by in vitro analysis. The main focus of this work was to achieve more insight of the interactions with crystal structure of PDB ID: 1M17 and predict their binding mode to EGFR. Three molecules were screened for further examination, which were synthesized and characterized using spectroscopic techniques. The persuasive affinity of these molecules towards EGFR inhibition (IC50 for QT=45nM) was established and validated from specific kinase assay including the cell viability spectrophotometric assay (QT=12nM). Drug likeliness property were also considered by analysing, the ADME of these molecules by using scintigraphic techniques. The result showed antitumour activity of QT (4.17 tumour/muscle at 4h). Further photo physical properties were also analysed to see in vitro HSA binding to QT. PMID:25766241

  11. Synthesis, characterization, and crystal structure of 2-amino-7-methyl-5-oxo-4-phenyl-4,5-dihydropyrano[3,2-c] pyran-3-carbonitrile

    SciTech Connect

    Sharma, S.; Banerjee, B.; Brahmachari, G.; Kant, Rajni; Gupta, V. K.

    2015-12-15

    2-Amino-7-methyl-5-oxo-4-phenyl-4,5-dihydropyrano[3,2-c] pyran-3-carbonitrile, C{sub 16}H{sub 12}N{sub 2}O{sub 3} is synthesized via one-pot multi-component reaction at room temperature using commercially available urea as inexpensive and environmentally benign organo-catalyst. Its structure is determined by single-crystal X-ray diffraction technique The crystals are monoclinic, a = 10.7357(12), b = 8.7774(8), c = 15.0759(16) Å, β = 103.575(11)°, Z = 4, sp. gr. P2{sub 1}/n, R = 0.0551 for 1696 observed reflections. The crystal structure is stabilized by N–H···N, C–H···O, and C–H···π interactions.

  12. Carbon, nitrogen and sulfur in lunar fines 15012 and 15013 - Abundances, distributions and isotopic compositions

    NASA Technical Reports Server (NTRS)

    Chang, S.; Lawless, J.; Romiez, M.; Kaplan, I. R.; Petrowski, C.; Sakai, H.; Smith, J. W.

    1974-01-01

    Lunar fines 15012,16 and 15013,3 were analyzed by stepwise pyrolysis and acid hydrolysis as well as complete combustion in oxygen to determine carbon, nitrogen and sulfur. In addition, hydrogen was analysed during pyrolysis as well as during hydrolysis. By comparison of the distribution frequencies of C, N, S, H2 and Fe with He-4, considered to have arisen from solar wind contribution, it is concluded that nitrogen and hydrogen have largely a solar origin. Carbon has a significant solar contribution, and metallic iron may have resulted from solar wind interaction with ferrous minerals on the lunar surface. Sulfur probably has a predominantly lunar origin. There is no direct evidence for meteorotic contribution to these samples. Solar wind interaction also has a marked effect on the stable isotope distribution of C-13/C-12, N-15/N-14, and S-34/S-32. In all cases, the heavy isotope was most enriched in the smallest grain-size fraction.

  13. Crystal structure of (E)-2-{[(6-meth­oxy-1,3-benzo­thia­zol-2-yl)imino]­meth­yl}phenol

    PubMed Central

    Hijji, Yousef; Barare, Belygona; Wairia, Gilbert; Butcher, Ray J.; Wikaira, Jan

    2015-01-01

    The title compound, C15H12N2O2S, crystallizes in the ortho­rhom­bic space group Pna21, with two mol­ecules in the asymmetric unit (Z′ = 2). Each mol­ecule consists of a 2-hy­droxy Schiff base moiety linked through a spacer to a 2-amino­benzo­thia­zole moiety. Each mol­ecule contains an intra­molecular hydrogen bond between the –OH group and imine N atom, forming a six-membered ring. The two independent molecules are linked by a pair of C—H⋯O hydrogen bonds, forming dimers with an R 2 2(20) ring motif. These dimers are further lined into sheets in the ab plane by weak inter­molecular C—H⋯N inter­actions. The structure was refined as an inversion twin PMID:26029397

  14. [μ-1,4-Bis(1,2,4-triazol-1-ylmeth­yl)benzene]­bis­[aqua­(pyridine-2,6-dicarboxyl­ato)copper(II)] monohydrate

    PubMed Central

    Dong, Gui-Ying; He, Cui-Hong; Tong-Fei, Liu; Deng, Xiao-Chen; Shi, Xiao-Ge

    2011-01-01

    The title compound, [Cu2(C7H3NO4)2(C12H12N6)(H2O)2]·H2O, displays a discrete dinuclear structure, in which the central CuII atom is five-coordinated in a distorted square-based pyramidal coordination geometry and the flexible ligand 1,4-bis­(1,2,4-triazol-1-ylmeth­yl)benzene adopts a bis-monodentate bridging mode linking the CuII atoms. It is further assembled by O—H⋯O hydrogen-bond inter­actions involving both the coordinated and uncoordinated water molecules. The latter exhibits half-occupancy. PMID:21836927

  15. Apparent spin-spin relaxation times, T 2★, of some nitrogen compounds using a super-regenerative nuclear quadrupole spectrometer

    NASA Astrophysics Data System (ADS)

    Trepanier, R. J.; Whitehead, M. A.

    The T 2★ of hexainethylenetetramine, C 6H 12 N 4, and sodium nitrite, NaNO 2, at 297°K and 77°K, and of 4-methoxy analine, C 5H 9 NO, at 297°K are reported. Two different nitrogen super-regenerative N.Q.R. spectrometers were used. Two different techniques for obtaining T 2★ were used: one measured the shift in signal detection threshold quench frequency with changing sample mass; the other measured the change in signal intensity for a small change of quench frequency near threshold. The importance of quench frequency studies and spectrometer construction for signal detection are discussed.

  16. Discovery of a potent and orally available acyl-CoA: cholesterol acyltransferase inhibitor as an anti-atherosclerotic agent: (4-phenylcoumarin)acetanilide derivatives.

    PubMed

    Ogino, Masaki; Fukui, Seiji; Nakada, Yoshihisa; Tokunoh, Ryosuke; Itokawa, Shigekazu; Kakoi, Yuichi; Nishimura, Satoshi; Sanada, Tsukasa; Fuse, Hiromitsu; Kubo, Kazuki; Wada, Takeo; Marui, Shogo

    2011-01-01

    Acyl-CoA: cholesterol acyltransferase (ACAT) is an intracellular enzyme that catalyzes cholesterol esterification. ACAT inhibitors are expected to be potent therapeutic agents for the treatment of atherosclerosis. A series of potent ACAT inhibitors based on an (4-phenylcoumarin)acetanilide scaffold was identified. Evaluation of the structure-activity relationships of a substituent on this scaffold, with an emphasis on improving the pharmacokinetic profile led to the discovery of 2-[7-chloro-4-(3-chlorophenyl)-6-methyl-2-oxo-2H-chromen-3-yl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (23), which exhibited potent ACAT inhibitory activity (IC50=12 nM) and good pharmacokinetic profile in mice. Compound 23 also showed regressive effects on atherosclerotic plaques in apolipoprotein (apo)E knock out (KO) mice at a dose of 0.3 mg/kg per os (p.o.). PMID:21963637

  17. Thermodynamics of nitrogen in Mn-Fe-C melts

    NASA Astrophysics Data System (ADS)

    Lee, Young E.

    2003-12-01

    The present study assesses the available experimental data in the Unified Interaction Parameter (UIP) formalism and proposes a thermodynamic model to describe the solubility of nitrogen over the entire composition range in Mn-Fe-C melts. The solubility of nitrogen was investigated from equilibrium between gaseous nitrogen and nitrogen dissolved in Mn-Fe-C melts. 1/2N_2 (g) + \\underset{raise0.3emsmashriptscriptstyle-}{N} (x,liq.Mn)K = x_N γ _N /P_{N_2^{1/2} } The equilibrium constant, K, and the activity coefficient of nitrogen, γ N, in the UIP formalism were determined taking a liquid Mn and infinite dilution of N in a Mn melt as the standard states for Mn and N, respectively. In K=-5.633+5770/T (1544 to 1841 K) ln K = - 5.633 + 5770/T (1544 to 1841 K)[Figure not available: see fulltext.

  18. Scanning electrochemical microscopy of genomic DNA microarrays--study of adsorption and subsequent interactions.

    PubMed

    Roberts, William S; Davis, Frank; Higson, Séamus P J

    2009-07-01

    The adsorption of genomic DNA and subsequent interactions between adsorbed and solvated DNA have been studied using scanning electrochemical microscopy (SECM). Microarrays of polyethylenimine (PEI) films could be deposited on screen-printed carbon substrates using the SECM. Single stranded herring DNA was electrostatically adsorbed at the surface of the polyethylenimine. The further adsorption of complementary single stranded DNA on the surface was observed to give rise to substantial decreases in interfacial impedance at the surface as measured by increases of tip current of the order of 1-2 nA (6%). Conversely adsorption of DNA from alternate species, i.e. salmon ssDNA on herring ssDNA, yielded much smaller changes in tip current of 0.2 nA. The significance of this work is that the approach opens up the possibility for direct label-free electrochemical interrogation of DNA microarrays as an alternative to other existing optical techniques. PMID:19562194

  19. Dopamine receptors in the guinea-pig heart. A binding study

    SciTech Connect

    Sandrini, M.; Benelli, A.; Baraldi, M.

    1984-10-29

    The binding of dopaminergic agonists and antagonists to guinea-pig myocardial membrane preparations was studied using /sup 3/H-dopamine and /sup 3/H-spiperone as radioligand. /sup 3/H-Dopamine bound specifically to heart membranes while /sup 3/H-spiperone did not. A Scatchard analysis of /sup 3/H-dopamine binding showed a curvilinear plot indicating the presence of two dopamine receptor populations that we have termed high- (K/sub d/ = 1.2 nM, B/sub mx/ = 52.9 fmol/mg prot.) and low- (K/sub d/ = 11.8 nM, B/sub mx/ = 267.3 fmol/gm prot.) affinity binding sites, respectively. The charactization of the high-affinity component of /sup 3/H-dopamine binding indicated tha

  20. Li3Al(MoO2)2O2(AsO4)2

    PubMed Central

    Hajji, Mounir; Zid, Mohamed Faouzi; Driss, Ahmed

    2009-01-01

    Single crystals of trilithium(I) aluminium(III) bis­[dioxidomolybdenum(VI)] dioxide bis­[arsenate(V)], Li3AlMo2As2O14, have been prepared by solid-state reaction at 788 K. The structure consists of AsO4 tetra­hedra, AlO6 octa­hedra and Mo2O10 groups sharing corners to form a three-dimensional framework containing channels running respectively along the [100] and [010] directions, where the Li+ ions are located. This structure is compared with compounds having (MX 2O12)n chains (M = Mo, Al and X = P, As) and others containing M 2O10 (M = Mo, Fe) dimers. PMID:21582037

  1. Low-energy nuclear reaction studies with RI beams in nuclear astrophysics

    NASA Astrophysics Data System (ADS)

    Kubono, S.; Teranishi, T.; Kato, S.

    2003-07-01

    After a brief discussion on the recent development in nuclear astrophysics, two reaction studies of typical astrophysical reactions at low energies where nuclear reactions play the main contributions to the nucleosynthesis in the universe, are discussed. One is the proton capture reaction, 11C(p, γ)12N, studied by the direct method using a 11C beam produced with a new low-energy RIB separator CRIB at CNS, Japan. The second one is the 13C(α, n)16O rearrangement reaction, which is believed to be the main neutron source for the s-process at low temperatures, investigated by an indirect method using the direct α-transfer reaction 13C(6Li, d)17O. Detailed investigations are suggested on the nuclear reactions relevant.

  2. Diaqua­bis­{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ido-κN 1}cobalt(II)

    PubMed Central

    Li, Bin

    2013-01-01

    In the centrosymmetic title complex, [Co(C18H12N5)2(H2O)2], the CoII ion is coordinated by two N,N′-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ide ligands and two water mol­ecules in a trans-CoO2N4 coordination geometry. In the ligand, the dihedral angles between the triazole ring and its adjacent pyridine and benzene rings are 5.57 (14) and 6.89 (16)°, respectively. In the crystal, mol­ecules are linked by O—H⋯N hydrogen bonds, generating a three-dimensional network. PMID:23476489

  3. Second monoclinic polymorph of 4-[(1H-benzimidazol-1-yl)meth­yl]benzoic acid

    PubMed Central

    Kuai, Hai-Wei; Cheng, Xiao-Chun

    2011-01-01

    Recently, we reported the first monoclinic [Kuai & Cheng (2011). Acta Cryst., E67, o2787] and the ortho­rhom­bic polymorph [Kuai & Cheng (2011). Acta Cryst., E67, o3014] of the title compound, C15H12N2O2. Another monoclinic polymorph was obtained accidentally by the hydro­thermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The asymmetric unit consists of four independent mol­ecules. In the crystal, O—H⋯N hydrogen bonds link the independent mol­ecules into four separate chains parallel to the b axis. PMID:22199726

  4. Diaqua­bis­{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ido-κN 1}iron(II)

    PubMed Central

    Li, Bin

    2013-01-01

    In the centrosymmetric title complex, [Fe(C18H12N5)2(H2O)2], the FeII ion, lying on an inversion centre, is coordinated by two N,N′-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ide ligands and two water mol­ecules in a trans-FeO2N4 geometry. In the ligand, the triazole ring makes dihedral angles of 5.21 (18) and 6.7 (2)°, respectively, with the adjacent pyridine and benzene rings. In the crystal, mol­ecules are linked by O—H⋯N hydrogen bonds, generating a three-dimensional network. PMID:23476509

  5. Diaqua­bis­{5-(pyridin-2-yl-κN)-3-[4-(pyri­din-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-κN 1}zinc

    PubMed Central

    Li, Bin

    2013-01-01

    The asymmetric unit of the title compound, [Zn(C18H12N5)2(H2O)2], consists a ZnII ion, located on an inversion center, a deprotonated 5-pyridin-2-yl-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ido ligand and a water mol­ecule. The whole mol­ecule is generated by inversion symmetry. The ZnII ion has a distorted octa­hedral coordination geometry, defined by four N atoms from the two deprotonated organic ligands and two water O atoms. In the crystal, O—H⋯N hydrogen bonds link the mol­ecules, forming a three-dimensional network. PMID:23634008

  6. Core Material Parameter Analysis of Torque Characteristics of Small Motor

    NASA Astrophysics Data System (ADS)

    Kaido, Chikara; Yamasaki, Jiro; Hanzawa, Kazufumi; Kaneko, Sachiko; Hashimoto, Toshio; Kimura, Toru; Shishido, Yuji

    This paper discusses the effect of manufacturing deterioration and permanent magnet conditions on cogging torque and iron loss in 12-pole small motors using 9-slot cores (20mm outer dia.). Manufacturing stress and strain increase 12n-th order cogging torques and iron loss, and smaller-clearance punching and larger-clearance clinching reduces iron loss althouogh they hardly affect cogging torque. The 9n-th order cogging torques are influenced a little by stress-relief annealing. The magnetization conditions of permanent magnet influences not only iron loss, but also cogging torque, which may be proportional to the square of magnet magnetization. However, cogging torques are hard to be induced at lower magnet magnetization.

  7. Bis(1,3-dimethyl-1,3-diazinan-2-one)dinitratodioxidouranium(VI)

    PubMed Central

    Suzuki, Tomoya; Kawasaki, Takeshi; Ikeda, Yasuhisa

    2011-01-01

    The title compound, [U(NO3)2O2(C6H12N2O)2], exhibits a hexa­gonal–bipyramidal geometry around the UVI ion, which is situated on an inversion centre and coordinated by two oxide ligands in the axial positions, and four O atoms from two bidentate NO3 − and two O atoms from two 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands in the equatorial plane. These ligands are located in trans positions. The –(CH2)3– moiety in the DMPU ligand is disordered over two positions in a 0.786 (11):0.214 (11) ratio. PMID:21522544

  8. An ultra-low detection-limit optofluidic biosensor based on all glass Fabry-Perot cavity.

    PubMed

    Wu, Haibo; Huang, Hui; Bai, Min; Liu, Pengbo; Chao, Ming; Hu, Jie; Hao, Jian; Cao, Tun

    2014-12-29

    An all glass optofludic biosensor with high quality-factor Fabry-Perot cavity (FPC) channel was reported. The all glass sandwich structure can completely eliminate the etching roughness of the channel surface, and can extend the operating wavelength to visible and ultraviolet regions compared with that of Si-based sensor. The quality-factor of the FPC channel is 875, and the system noise can be reduced to 1.2 nV by combining optical differential detection with phase lock-in detection. A detection limit of 15ng/mL for glucose solution, which corresponds to a refractive index unit of 2.0 × 10-9, was experimentally demonstrated. The all glass FPC sensor features low cost and robust compared with surface-plasmon-resonance sensor and ring-resonator sensor. PMID:25607165

  9. A porphyrin complex of Gold(I): (Phosphine)gold(I) azides as cation precursors

    PubMed Central

    Partyka, David V.; Robilotto, Thomas J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.

    2008-01-01

    A silver- and Brönsted acid-free protocol for generating the (tricyclohexylphosphine)gold(I) cation from the corresponding azide complexes is disclosed. The gold(I) cations so liberated are trapped by complexation with octaethylporphyrin. The first structurally authenticated gold(I) porphyrin complex crystallizes with formula C72H112Au2F12N4P2Sb2, space group C2/c, a = 21.388 (4), b = 19.679 (4), c = 19.231 (3) Å; β = 111.030 (3)°. Solution spectroscopic studies indicate that the di-gold complex fragments on dissolution in organic solvents. Approximate density-functional theory calculations find an electrostatic origin for the binding of two gold(I) centers to the unprotonated nitrogen atoms, despite greater orbital density on the porphyrin meso carbons. PMID:18780788

  10. Biologically inspired polymer microfibers with spatulate tips as repeatable fibrillar adhesives

    NASA Astrophysics Data System (ADS)

    Kim, Seok; Sitti, Metin

    2006-12-01

    Being inspired by gecko foot hairs, microfibers with flat spatulate tips are proposed as repeatable adhesives. They are fabricated by molding a master template fabricated using deep reactive ion etching and the notching effect. Fabricated polyurethane fiber arrays with 4.5μm fiber and 9μm tip diameter demonstrated macroscale adhesion pressures up to 18N/cm2 and overall work of adhesion up to 11J/m2 on a 6mm diameter glass hemisphere for a preload pressure of 12N/cm2. These results show around four times higher adhesion and five times higher overall work of adhesion as compared to the flat polyurethane surface.

  11. 2,2-Dimethyl-5-{[(4-nitro-phen-yl)amino]-methyl-idene}-1,3-dioxane-4,6-dione.

    PubMed

    Yang, Ying-Hong; Li, Zi-Cheng; Luo, You-Fu

    2011-01-01

    In the title compound, C(13)H(12)N(2)O(6), the dihedral angle between the benzene ring and the amino-methyl-ene unit is 5.42 (16)°, while the angle between the amino-methyl-ene unit and the dioxane ring is 3.06 (43)°. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.464 (10) Å out of the plane. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, a three-dimensional framework is built up via inter-molecular N-H⋯O hydrogen bonds. PMID:21523083

  12. Elementary processes during collisions of ions with tryptophan molecules

    NASA Astrophysics Data System (ADS)

    Afrosimov, V. V.; Basalaev, A. A.; Kuz'michev, V. V.; Panov, M. N.; Smirnov, O. V.

    2016-03-01

    The relative cross sections of elementary processes occurring in single collisions of tryptophan molecules in the gaseous phase with He2+ ions with energy 4 keV/u are measured using time-of-flight mass spectrometry for studying the mechanism of radiation damage of amino acid molecules. The fragmentation channels for intermediate singly and doubly charged tryptophan molecular ions formed during one-electron capture, two-electron capture, and electron capture with ionization are investigated. Significant difference is observed in the mass spectra of fragmentation of intermediate doubly charged ions formed during the capture with ionization and double capture, which is associated with different energies of excitation of {C11H12N2O2}2+* ions.

  13. Mass-spectrometric study of the electron-impact-induced fragmentation of the tryptophan molecule

    NASA Astrophysics Data System (ADS)

    Vukstich, V. S.; Romanova, L. G.; Megela, I. G.; Snegursky, A. V.

    2014-03-01

    The formation of ion products upon single and dissociative electron-impact ionization of the tryptophan (C11H12N2O2) molecule has been studied using mass-spectrometric techniques. The mass-spectrum of tryptophan has been obtained and interpreted, and the near-threshold ion yields from the initial molecule and the main products of its electron-impact ionization have been measured. The absolute values of ionization energy of the initial tryptophan molecule and the appearance potentials of its main fragment ions have been determined. The influence of exposure to a high-energy beam of accelerated electrons on the resulting mass spectra of initial molecule has been studied.

  14. Theoretical screening of intermetallic ThMn12-type phases for new hard-magnetic compounds with low rare earth content

    PubMed Central

    Körner, Wolfgang; Krugel, Georg; Elsässer, Christian

    2016-01-01

    We report on theoretical investigations of intermetallic phases derived from the ThMn12-type crystal structure. Our computational high-throughput screening (HTS) approach is extended to an estimation of the anisotropy constant K1, the anisotropy field Ha and the energy product (BH)max. The calculation of K1 is fast since it is based on the crystal field parameters and avoids expensive total-energy calculations with many k-points. Thus the HTS approach allows a very efficient search for hard-magnetic materials for which the magnetization M and the coercive field Hc connected to Ha represent the key quantities. Besides for NdFe12N which has the highest magnetization we report HTS results for several intermetallic phases based on Cerium which are interesting as alternative hard-magnetic phases because Cerium is a less ressource-critical element than Neodymium. PMID:27098547

  15. Crystal chemistry of the natural vanadium bronzes

    USGS Publications Warehouse

    Evans, H.T., Jr.; Hughes, J.M.

    1990-01-01

    The crystal chemistry of the natural vanadium bronze minerals is reviewed on the basis of published information and new studies (mainly by X-ray powder-diffraction methods) using type material wherever possible. The known V bronze minerals are divided into three categories: 1) the hewettite group, 2) the straczekite group, 3) other structure types including navajoite, schubnelite, fervanite, shcherbinaite, bannermanite, and melanovanadite. All known structures associated with the fibrous V bronzes (fiber spacing 3.6 A??) can be considered as various lateral linkages (into sheets or networks) of only two types of polyvanadate chains: 1) a divanadate chain (V2O6)n consisting of alternating square pyramids, and 2) a tetravanadate chain (V4O12)n consisting of four highly condensed single octahedral chains. -from Authors

  16. Ultra Low Power Full Digital Body Temperature Sensor Operating in Sub-Threshold Regime

    NASA Astrophysics Data System (ADS)

    Wu, Yuping; Zhang, Xuelian; Chen, Lan

    2015-11-01

    In this paper, we presented a full digital human body temperature sensor with high yield, which was designed in 40 nm CMOS technology. As part of the green BAN, it can measure the body temperature with ultra-low-power in high accuracy by operating in deep sub-threshold regime. The power dissipation is 1.2 nW with a power supply voltage of 0.12 V at 27 °C. The accuracy is 0.047 °C in the temperature range from 25 to 45 °C, and the sensor can operate with the power supply range from 0.12 to 0.40 V and takes ultra-low-power consumption.

  17. Narrowband solid state vuv coherent source for laser cooling of antihydrogen

    NASA Astrophysics Data System (ADS)

    Michan, J. Mario; Polovy, Gene; Madison, Kirk W.; Fujiwara, Makoto C.; Momose, Takamasa

    2015-11-01

    We describe the design and performance of a solid-state pulsed source of narrowband (< 100 MHz) Lyman- α radiation designed for the purpose of laser cooling magnetically trapped antihydrogen. Our source utilizes an injection seeded Ti:Sapphire amplifier cavity to generate intense radiation at 729.4 nm, which is then sent through a frequency doubling stage and a frequency tripling stage to generate 121.56 nm light. Although the pulse energy at 121.56 nm is currently limited to 12 nJ with a repetition rate of 10 Hz, we expect to obtain greater than 0.1 μJ per pulse at 10 Hz by further optimizing the alignment of the pulse amplifier and the efficiency of the frequency tripling stage. Such a power will be sufficient for cooling a trapped antihydrogen atom from 500 mK to 20mK.

  18. Theoretical screening of intermetallic ThMn12-type phases for new hard-magnetic compounds with low rare earth content.

    PubMed

    Körner, Wolfgang; Krugel, Georg; Elsässer, Christian

    2016-01-01

    We report on theoretical investigations of intermetallic phases derived from the ThMn12-type crystal structure. Our computational high-throughput screening (HTS) approach is extended to an estimation of the anisotropy constant K1, the anisotropy field Ha and the energy product (BH)max. The calculation of K1 is fast since it is based on the crystal field parameters and avoids expensive total-energy calculations with many k-points. Thus the HTS approach allows a very efficient search for hard-magnetic materials for which the magnetization M and the coercive field Hc connected to Ha represent the key quantities. Besides for NdFe12N which has the highest magnetization we report HTS results for several intermetallic phases based on Cerium which are interesting as alternative hard-magnetic phases because Cerium is a less ressource-critical element than Neodymium. PMID:27098547

  19. Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2]octane.

    PubMed

    Brisdon, Alan K; Muneer, Abeer M T; Pritchard, Robin G

    2015-10-01

    Halogen bonding is an intermolecular interaction capable of being used to direct extended structures. Typical halogen-bonding systems involve a noncovalent interaction between a Lewis base, such as an amine, as an acceptor and a halogen atom of a halofluorocarbon as a donor. Vapour-phase diffusion of 1,4-diazabicyclo[2.2.2]octane (DABCO) with 1,2-dibromotetrafluoroethane results in crystals of the 1:1 adduct, C2Br2F4·C6H12N2, which crystallizes as an infinite one-dimensional polymeric structure linked by intermolecular N...Br halogen bonds [2.829 (3) Å], which are 0.57 Å shorter than the sum of the van der Waals radii. PMID:26422219

  20. Hydraulic Property and Soil Textural Classification Measurements for Rainier Mesa, Nevada Test Site, Nevada

    SciTech Connect

    Ebel, Brian A.; Nimmo, John R.

    2009-12-29

    This report presents particle size analysis, field-saturated hydraulic conductivity measurements, and qualitative descriptions of surficial materials at selected locations at Rainier Mesa, Nevada. Measurements and sample collection were conducted in the Rainier Mesa area, including unconsolidated sediments on top of the mesa, an ephemeral wash channel near the mesa edge, and dry U12n tunnel pond sediments below the mesa. Particle size analysis used a combination of sieving and optical diffraction techniques. Field-saturated hydraulic conductivity measurements employed a single-ring infiltrometer with analytical formulas that correct for falling head and spreading outside the ring domain. These measurements may prove useful to current and future efforts at Rainier Mesa aimed at understanding infiltration and its effect on water fluxes and radionuclide transport in the unsaturated zone.

  1. DIII-D Studies of Massive Gas Injection for Disruption Mitigation

    NASA Astrophysics Data System (ADS)

    Hollmann, E. M.; Antar, G.; Boedo, J. A.; Moyer, R. A.; Rudakov, D. L.; Yu, J.; Jernigan, T. C.; Combs, S.; Evans, T. E.; Humphreys, D. A.; Parks, P. B.; Strait, E. J.; Wesley, J. C.; Groth, M.; Bakhtiari, M.; Whyte, D. G.

    2006-10-01

    Experiments with massive ( 3x10^22 particles) argon injection in the DIII- D tokamak have shown that neutral delivery rate is the crucial jet parameter. Nozzle aiming is not crucial, as the neutrals are stopped at the plasma edge. This was demonstrated over a range of plasma thermal energies from Wth 1.0 MJ down to Wth 0.02 MJ. Calculations suggest that magnetic field pressure is contributing to the observed neutral jet stopping. The subsequent core radiative thermal collapse is greatly accelerated by the onset of low-order (m=1,2/n=1) MHD modes; this was demonstrated by shutting down target plasmas with different q-profiles and observing a delay in the collapse onset as the low order (q=1 and 2) rational surfaces were buried deeper in the target plasma. Experiments using a new large valve with a 10x higher flow rate will also be presented.

  2. Dynamic study of rectally absorbed ammonia in liver cirrhosis using (13N)ammonia and a positron camera

    SciTech Connect

    Koen, H.; Okuda, K.; Musha, H.; Tateno, Y.; Fukuda, N.; Matsumoto, T.; Shisido, F.; Rikitake, T,; Iinuma, T.; Kurisu, A.; Arimizu, N.

    1980-11-01

    (13N)Ammonia produced by the cyclotron was instilled intrarectally in patients with cirrhosis and other liver diseases to study the turnover of rectally absorbed (12N)ammonia. In the control, (13N)ammonia was absorbed quickly and visualized the liver, whereas in patients with cirrhosis, the lungs and heart were first visualized, and 13N activity over the head was also higher. It was suggested that a large proportion of absorbed (13N)ammonia bypassed hepatocytes and reached peripheral tissues in cirrhosis. The heart/liver ratio of 13N and 13N over the head were correlated with various indices of portal hypertension. The relative proportion of nonammonia 13N metabolites in blood was lower at 5 and 15 min after administration in cirrhosis, suggesting a reduced capacity of the liver to remove and metabolize ammonia.

  3. Midday magnetopause shifts earthward of geosynchronous orbit during geomagnetic superstorms with Dst ≤ -300 nT

    NASA Astrophysics Data System (ADS)

    Li, H.; Wang, C.; Kan, J. R.

    2010-08-01

    Geomagnetic storm intensity, as measured by the Dst (SYMH) index, shows no limit as the solar wind dawn-to-dusk electric field increases. We show that the magnetopause around noon erodes earthward with increasing storm intensity. The panoramic geosynchronous BZ signatures for the magnetic storm groups with different intensity are differ significantly from each other. For superstorms with SYMH ≤ -300 nT, the magnetopause around noon erodes to inside the geosynchronous orbit, which causes the BZ reversal near local noon. The necessary conditions for superstorms with SYMH ≤ -300 nT to occur include the following: (1) interplanetary magnetic field (IMF) BZ < -27 nT lasts for at least ˜1 h; (2) solar wind dynamic pressure, Pd > ˜ 12 nPa; (3) the projected interplanetary electric field, EK - L > ˜30 mV/m.

  4. Construction of two novel indium phosphites with (3,6)- and (3,5)-connected frameworks: Synthesis, structure and characterization

    NASA Astrophysics Data System (ADS)

    Li, Huiduan; Zhang, Lirong; Huo, Qisheng; Liu, Yunling

    2013-01-01

    Two novel anionic indium phosphites, formulated as [H3O][In(HPO3)2] (1) and [C4H12N2][In2(HPO3)3(C2O4)] (2), were prepared under hydrothermal conditions by using piperazine (PIP) as a structure-directing agent (SDA). Single-crystal X-ray diffraction analysis reveals that compounds 1 and 2 crystallize in the hexagonal space group P63mc (No. 186) and orthorhombic space group Cmcm (No. 63), respectively. Compound 1, constructed from InO6 octahedra and HPO3 pseudo-pyramids, exhibits a rare (3,6)-connected layer structure with kgd (Kagome dual) topology. Compound 2, on the other hand, features a 3D phosphite-oxalate hybrid structure with intersecting 8- and 12-MRs channels. From a topological perspective 2 can be regarded as a (3, 5)-connected binodal net with the Schläfli symbol (42.6)(42.65.83).

  5. Targeting Cathepsin E in Pancreatic Cancer by a Small Molecule Allows In Vivo Detection12

    PubMed Central

    Keliher, Edmund J; Reiner, Thomas; Earley, Sarah; Klubnick, Jenna; Tassa, Carlos; Lee, Andrew J; Ramaswamy, Sridhar; Bardeesy, Nabeel; Hanahan, Douglas; DePinho, Ronald A; Castro, Cesar M; Weissleder, Ralph

    2013-01-01

    When resectable, invasive pancreatic ductal adenocarcinoma (PDAC) is most commonly treated with surgery and radiochemotherapy. Given the intricate local anatomy and locoregional mode of dissemination, achieving clean surgical margins can be a significant challenge. On the basis of observations that cathepsin E (CTSE) is overexpressed in PDAC and that an United States Food and Drug Administration (FDA)-approved protease inhibitor has high affinity for CTSE, we have developed a CTSE optical imaging agent [ritonavir tetramethyl-BODIPY (RIT-TMB)] for potential intraoperative use. We show nanomolar affinity [half maximal inhibitory concentration (IC50) of 39.9 ± 1.2 nM] against CTSE of the RIT-TMB in biochemical assays and intracellular accumulation and target-to-background ratios that allow specific delineation of individual cancer cells. This approach should be useful for more refined surgical staging, planning, and resection with curative intent. PMID:23814481

  6. The first detection of the 3A g- state in carotenoids using resonance-Raman excitation profiles

    NASA Astrophysics Data System (ADS)

    Furuichi, Kentaro; Sashima, Tokutake; Koyama, Yasushi

    2002-04-01

    The singlet 3A g- state that had been theoretically predicted in shorter polyenes [P. Tavan and K. Schulten J. Chem. Phys. 85 (1986) 6602; Phys. Rev. B 36 (1987) 4337] was first identified in bacterial carotenoids by measurements of resonance-Raman excitation profiles. It is almost overlapped with the 1B u+ state in spheroidene (the number of conjugated double bonds, n=10), and located in-between the 1B u+ and 1B u- states in lycopene, anhydrorhodovibrin and spirilloxanthin ( n=11-13). The slopes when the 2A g--, 1B u-- and 3A g--state energies were expressed as linear functions of 1/(2 n+1) exhibited the ratio of 2:3.1:3.8 in excellent agreement with that theoretically predicted, 2:3.1:3.7.

  7. A model for the dynamics of extensible semiflexible polymers

    NASA Astrophysics Data System (ADS)

    Barkema, G. T.; van Leeuwen, J. M. J.

    2012-12-01

    We present a model for semiflexible polymers in a Hamiltonian formulation that interpolates between a Rouse chain and a worm-like chain. Both models are realized as limits for the parameters. The model parameters can also be chosen to match the experimental force-extension curve for double-stranded DNA. Near the ground state of the Hamiltonian, the eigenvalues for the longitudinal (stretching) and transverse (bending) modes of a chain with N springs, indexed by p, scale as {\\lambda }_{p}^{{l}}\\sim (p/N)^{2} and {\\lambda }_{p}^{{t}}\\sim {p}^{2}(p-1)^{2}/{N}^{4} respectively for small p. We also show that the associated decay times τp ˜ (N/p)4 will not be observed if they exceed the orientational time scale τr ˜ N3 for an equally long rigid rod, as the driven decay is then washed out by diffusive motion.

  8. Features of the sorption redistribution of hydrocarbons and alcohols in a gas-supramolecular liquid crystal system

    NASA Astrophysics Data System (ADS)

    Onuchak, L. A.; Ukolova, D. A.; Burmatnova, T. S.; Kuraeva, Yu. G.; Kuvshinova, S. A.; Burmistrov, V. A.; Stepanova, R. F.

    2015-01-01

    Thermodynamic characteristics of the sorption redistribution of hydrocarbons (C8-C12 n-alkanes, C10H16 terpenes, xylene isomers) and alcohols (C3-C5 alkanols, butanediol-2,3, menthol) in a gas-4-(3-hydroxypropyloxy)-4'-formylazobenzene (HPOFAB) supramolecular smectic-nematic liquid crystal system are studied via inverse gas chromatography. The sorption capacity of HPOFAB with respect to nonmesogene sorbates is found to be strongly diminished due to its associated structure, especially in the smectic A phase. Great positive deviations from the Raoult law in the studied nonmesogene-HPOFAB systems are observed not only in mesophases, but also in the isotropic HPOFAB phase, which has a high selectivity to para- and meta-xylenes, in contrast to the isotropic phases of classic (non-associated) liquid crystals.

  9. Neutron and gamma irradiation damage to organic materials.

    SciTech Connect

    White, Gregory Von, II; Bernstein, Robert

    2012-04-01

    This document discusses open literature reports which investigate the damage effects of neutron and gamma irradiation on polymers and/or epoxies - damage refers to reduced physical chemical, and electrical properties. Based on the literature, correlations are made for an SNL developed epoxy (Epon 828-1031/DDS) with an expected total fast-neutron fluence of {approx}10{sup 12} n/cm{sup 2} and a {gamma} dosage of {approx}500 Gy received over {approx}30 years at < 200 C. In short, there are no gamma and neutron irradiation concerns for Epon 828-1031/DDS. To enhance the fidelity of our hypotheses, in regards to radiation damage, we propose future work consisting of simultaneous thermal/irradiation (neutron and gamma) experiments that will help elucidate any damage concerns at these specified environmental conditions.

  10. 2-[(2-Hy­droxy­benz­yl)amino]­pyrazinium perchlorate–2-[(pyrazin-2-yl­amino)­meth­yl]phenol (1/1)

    PubMed Central

    Gao, Shan; Ng, Seik Weng

    2012-01-01

    In the crystal structure of the title co-crystal, C11H12N3O+·ClO4 −·C11H11N3O, the perchlorate ion is disordered about a twofold rotation axis with the Cl atom located on the twofold rotation axis; the 2-[(2-hy­droxy­benz­yl)amino]­pyrazinium cation and the neutral 2-[(pyrazin-2-yl­amino)­meth­yl]phenol mol­ecule are disordered about the rotation axis in a 1:1 ratio. These two are connected by a pyrazine–pyrazine N1—H⋯N4 hydrogen bond. The cation, whose two aromatic rings are twisted along the –CH2—NH– bond by 76.8 (1)°, is a hydrogen-bond donor to the perchlorate ion through the N atom of this link. PMID:22904917

  11. Structural and chemical properties of the nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate under pressure.

    PubMed

    McWilliams, R Stewart; Kadry, Yasmin; Mahmood, Mohammad F; Goncharov, Alexander F; Ciezak-Jenkins, Jennifer

    2012-08-01

    The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate C(3)H(12)N(12)O(2) (TAG-MNT) have been investigated at room pressure and under high pressure isothermal compression using powder x-ray diffraction and Raman and infrared spectroscopy. A stiffening of the equation of state and concomitant structural relaxation between 6 and 14 GPa are found to correlate with Raman mode disappearances, frequency discontinuities, and changes in the pressure dependence of modes. These observations manifest the occurrence of a reversible martensitic structural transformation to a new crystalline phase. The onset and vanishing of Fermi resonance in the nitrimine group correlate with the stiffening of the equation of state and phase transition, suggesting a possible connection between these phenomena. Beyond 15 GPa, pressure induces irreversible chemical reactions, culminating in the formation of a polymeric phase by 60 GPa. PMID:22894358

  12. The effects of Bi4Ti3O12 interfacial ferroelectric layer on the dielectric properties of Au/n-Si structures

    NASA Astrophysics Data System (ADS)

    Gökçen, Muharrem; Yıldırım, Mert

    2015-06-01

    Au/n-Si metal-semiconductor (MS) and Au/Bi4Ti3O12/n-Si metal-ferroelectric-semiconductor (MFS) structures were fabricated and admittance measurements were held between 5 kHz and 1 MHz at room temperature so that dielectric properties of these structures could be investigated. The ferroelectric interfacial layer Bi4Ti3O12 decreased the polarization voltage by providing permanent dipoles at metal/semiconductor interface. Depending on different mechanisms, dispersion behavior was observed in dielectric constant, dielectric loss and loss tangent versus bias voltage plots of both MS and MFS structures. The real and imaginary parts of complex modulus of MFS structure take smaller values than those of MS structure, because permanent dipoles in ferroelectric layer cause a large spontaneous polarization mechanism. While the dispersion in AC conductivity versus frequency plots of MS structure was observed at high frequencies, for MFS structure it was observed at lower frequencies.

  13. Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate

    PubMed Central

    Sowmya, N. Swarna; Sampathkrishnan, S.; Sudhahar, S.; Kumar, R. Mohan; Chakkaravarthi, G.

    2014-01-01

    In the title hydrated mol­ecular salt, C8H12N+·C6H4NO3 −·H2O, the conformation of the side chain in the cation is anti [C—C—C—N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds, generating (10-1) sheets, which feature R 4 4(21) loops. The sheets inter­act by weak aromatic π–π stacking inter­actions [centroid–centroid distance = 3.896 (3) Å], forming a three-dimensional network. PMID:25553045

  14. Crystal structure of 2-phenyl-ethyl-amin-ium 4-nitro-phenolate monohydrate.

    PubMed

    Sowmya, N Swarna; Sampathkrishnan, S; Sudhahar, S; Kumar, R Mohan; Chakkaravarthi, G

    2014-12-01

    In the title hydrated mol-ecular salt, C8H12N(+)·C6H4NO3 (-)·H2O, the conformation of the side chain in the cation is anti [C-C-C-N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O-H⋯O and N-H⋯O hydrogen bonds, generating (10-1) sheets, which feature R 4 (4)(21) loops. The sheets inter-act by weak aromatic π-π stacking inter-actions [centroid-centroid distance = 3.896 (3) Å], forming a three-dimensional network. PMID:25553045

  15. Dichlorido[2-(phenyl­imino­meth­yl)quinoline-N,N′]palladium(II)

    PubMed Central

    Motswainyana, William M.; Onani, Martin O.; Madiehe, Abram M.

    2012-01-01

    In the title complex, [PdCl2(C16H12N2)], the PdII ion is coordinated by two N atoms [Pd—N 2.039 (2), 2.073 (2) Å] from a bidentate ligand and two chloride anions [Pd—Cl 2.2655 (7), 2.2991 (7) Å] in a distorted square-planar geometry. In the crystal, π–π inter­actions between the six-membered rings of the quinoline fragments [centroid–centroid distances = 3.815 (5), 3.824 (5) Å] link two mol­ecules into centrosymmetric dimers. PMID:22589771

  16. Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb-oxamide.

    PubMed

    Zhong, Qi-Di; Hu, Sheng-Quan; Yan, Hong

    2016-02-01

    In the title compound, C13H12N2O2 (I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intra-molecular N-H⋯O hydrogen bond forming an S(7) ring motif. In the crystal, mol-ecules are linked via a pair of N-H⋯O hydrogen bonds forming inversion dimers. C-H⋯O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C-H⋯π inter-actions forming layers parallel to the ac plane. PMID:26958371

  17. High-temperature fatigue life of type 316 stainless steel containing irradiation induced helium

    SciTech Connect

    Grossbeck, M.L.; Liu, K.C.

    1981-01-01

    Specimens of 20%-cold-worked AISI type 316 stainless steel were irradiated in the High Flux Isotope Reactor (HFIR) at 550/sup 0/C to a maximum damage level of 15 dpa and a transmutation produced helium level of 820 at. ppM. Fully reversed strain controlled fatigue tests were performed in a vacuum at 550/sup 0/C. No significant effect of the irradiation on low-cycle fatigue life was observed; however, the strain range of the 10/sup 7/ cycle endurance limit decreased from 0.35 to 0.30%. The relation between total strain range and number of cycles to failure was found to be ..delta..epsilon/sub T/ = 0.02N/sub f//sup -0/ /sup 12/ + N/sub f//sup -0/ /sup 6/ for N/sub f/ < 10/sup 7/ cycles.

  18. Hydraulic Property and Soil Textural Classification Measurements for Rainier Mesa, Nevada Test Site, Nevada

    USGS Publications Warehouse

    Ebel, Brian A.; Nimmo, John R.

    2010-01-01

    This report presents particle size analysis, field-saturated hydraulic conductivity measurements, and qualitative descriptions of surficial materials at selected locations at Rainier Mesa, Nevada. Measurements and sample collection were conducted in the Rainier Mesa area, including unconsolidated sediments on top of the mesa, an ephemeral wash channel near the mesa edge, and dry U12n tunnel pond sediments below the mesa. Particle size analysis used a combination of sieving and optical diffraction techniques. Field-saturated hydraulic conductivity measurements employed a single-ring infiltrometer with analytical formulas that correct for falling head and spreading outside the ring domain. These measurements may prove useful to current and future efforts at Rainier Mesa aimed at understanding infiltration and its effect on water fluxes and radionuclide transport in the unsaturated zone.

  19. 8H-Chromeno[2′,3′:4,5]imidazo[2,1-a]isoquinoline

    PubMed Central

    Safarov, Saifidin; Voskressensky, Leonid G.; Bizhko, Oksana V.; Kulikova, Larisa N.; Khrustalev, Victor N.

    2010-01-01

    The title compound, C18H12N2O, comprises two aromatic fragments, viz., imidazo[2,1-a]isoquinoline and benzene, linked by oxygen and methyl­ene bridges. Despite the absence of a common conjugative system within the mol­ecule, it adopts an essentially planar conformation with an r.m.s. deviation of 0. 036 Å. In the crystal, due to this structure, mol­ecules form stacks along the b axis by π⋯π stacking inter­actions, with shortest C⋯C distances in the range 3.340 (4)–3.510 (4) Å. The mol­ecules are bound by inter­molecular C—H⋯O inter­actions within the stacks and C—H⋯π inter­actions between the stacks. PMID:21580448

  20. Azole. 47. Uber 3-thiomorpholino- und 3-(4-methylpiperazino)-5-nitroindazole.

    PubMed

    Gzella, A; Wrzeciono, U

    2001-10-01

    The structures of 5-nitro-3-thiomorpholino-1H-indazole, C(11)H(12)N(4)O(2)S, (IIa), and 3-(4-methylpiperazino)-5-nitro-1H-indazole-methanol-water (2/1/1), 2C(12)H(15)N(5)O(2).CH(3)OH.H(2)O, (IIIa), are described. In the crystal lattice of (IIa), the molecules are linked into dimers by N-H...N hydrogen bonds. The asymmetric unit of (IIIa) contains two independent molecules of the indazole moiety, one molecule of methanol and one of water. The three components of (IIIa) are linked by hydrogen bonds to form double chains running along the x axis. pi-Stacking involving the indazole moieties occurs in both compounds. PMID:11600780

  1. 3-Hy-droxy-2,2-bis-(1H-pyrazol-1-yl)-cyclo-penta-none.

    PubMed

    Rybakov, Victor B; Utkina, Anastasia A; Kurkin, Alexander V; Yurovskaya, Marina A

    2012-03-01

    The title compound, C(11)H(12)N(4)O(2), was unexpectedly obtained in the reaction of α,α'-disubstituted cyclo-penta-none with 1,1,3,3-tetra-meth-oxy-propane in the presence of dioxane saturated with HCl. It belongs to a previously unknown class of gem-bihetaryl ketones which may be useful for screening of new substances with biological activity. In the studied structure, the cyclo-penta-none moiety adopts an envelope conformation, with the hy-droxy-bearing C atom as the flap [deviation from basal plane = 0.643 (3) Å]. The dihedral angle between the two pyrazole rings is 80.02 (8)°. In the crystal, inversion dimers are formed via a pair of O-H⋯N hydrogen bonds. PMID:22412705

  2. Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate

    PubMed Central

    Shubakara, K.; Chandra; Srikantamurthy, N.; Mahendra, M.; Umesha, K. B.

    2014-01-01

    The asymmetric unit of title compound, C12H12N2O4, consists of two independent mol­ecules. In each mol­ecule, the oxadiazine ring has a flattened envelope conformation with the methyl­ene C atom as the flap atom, and the eth­oxy­carbonyl unit is in a syn-periplanar conformation with respect to the oxadiazine ring as indicated by O—C—C=O torsion angles of 1.9 (4) and 2.5 (4)°. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07 (13) and 42.98 (14)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and stacked in a double-column along the a-axis direction. PMID:24940244

  3. Fabrication of Poly (methyl methacrylate) and Poly(vinyl alcohol) Thin Film Capacitors on Flexible Substrates

    NASA Astrophysics Data System (ADS)

    Salim, Bindu; Meenaa Pria KNJ, Jaisree; Alagappan, M.; Kandaswamy, A.

    2015-11-01

    Flexible electronics is becoming more popular with introduction of more and more organic conducting materials and processes for making thin films. The use of polymers as gate dielectric has over ruled the usage of conventional inorganic oxides in Organic Thin Film Transistors (OTFTs) on account of its solution process ability and ease of making highly insulating thin film. In this work Capacitance is fabricated with polymeric dielectrics namely poly (methyl methacrylate) - PMMA and poly (vinyl alcohol) - PVA. The electrodes used for these capacitors are Indium Tin Oxide (ITO) and Aluminium. Capacitance value of 9.5nF/cm2 and 33.12nF/cm2 is achieved for thickness of 510 nm of PMMA and 80 nm of PVA respectively. This study on capacitance can be used for assessing the suitability of these polymers as gate insulators in OTFTs.

  4. Strong profiling is not mathematically optimal for discovering rare malfeasors

    SciTech Connect

    Press, William H

    2008-01-01

    In a large population of individuals labeled j = 1,2,...,N, governments attempt to find the rare malfeasor j = j, (terrorist, for example) by making use of priors p{sub j} that estimate the probability of individual j being a malfeasor. Societal resources for secondary random screening such as airport search or police investigation are concentrated against individuals with the largest priors. They may call this 'strong profiling' if the concentration is at least proportional to p{sub j} for the largest values. Strong profiling often results in higher probability, but otherwise innocent, individuals being repeatedly subjected to screening. They show here that, entirely apart from considerations of social policy, strong profiling is not mathematically optimal at finding malfeasors. Even if prior probabilities were accurate, their optimal use would be only as roughly the geometric mean between a strong profiling and a completely uniform sampling of the population.

  5. Design and development of magnetorheological fluid-based passive actuator.

    PubMed

    Shokrollahi, Elnaz; Price, Karl; Drake, James M; Goldenberg, Andrew A

    2015-08-01

    We present the design and experimental validation of a magnetorheological (MR) fluid-based passive actuator for tele-robotic bone biopsy procedures. With Finite Element Method Magnet (FEMM) software, the required uniform magnetic field circuit design was simulated. An 1100 turn 24 AWG copper wire coil wrapped around a magnetic core was used to create a magnetic field. The field strength was measured with a Hall effect sensor, and compared to the simulation. The maximum magnetic field flux produced by a constant current of 1.4 A was 0.2 T, similar to the simulation results. A series of quasi-static experiments were conducted to characterize the forces generated by the MR fluid-based actuator under various currents up to 12 N. An analytical model was developed to validate the measurements from the passive actuator. PMID:26737387

  6. Synthesis, characterization, and crystal structure of 2-amino-7-methyl-5-oxo-4-phenyl-4,5-dihydropyrano[3,2- c]pyran-3-carbonitrile

    NASA Astrophysics Data System (ADS)

    Sharma, S.; Banerjee, B.; Brahmachari, G.; Kant, Rajni; Gupta, V. K.

    2015-12-01

    2-Amino-7-methyl-5-oxo-4-phenyl-4,5-dihydropyrano[3,2- c]pyran-3-carbonitrile, C16H12N2O3 is synthesized via one-pot multi-component reaction at room temperature using commercially available urea as inexpensive and environmentally benign organo-catalyst. Its structure is determined by single-crystal X-ray diffraction technique The crystals are monoclinic, a = 10.7357(12), b = 8.7774(8), c = 15.0759(16) Å, β = 103.575(11)°, Z = 4, sp. gr. P21/ n, R = 0.0551 for 1696 observed reflections. The crystal structure is stabilized by N-H···N, C-H···O, and C-H···π interactions.

  7. Structure investigations on oxygen fluorides.

    PubMed

    Marx, Rupert; Seppelt, Konrad

    2015-12-01

    The crystal structure of O2F2 is obtained at -180 °C. In the solid state the molecule has the typical hydrogen peroxide structure that has been established long ago by electron diffraction and microwave spectroscopy. OF2 melts at -223.8 °C, so its structure is determined by powder X-ray data. The structure differs from the solid state structures of ozone and Br2O. O2F in its dissolved form as O2(+) HnFn+1(-) oxidizes palladium to the four valence state, as found some time ago. The first product formed at low temperatures is (O2(+)H3Pd2F12(-))n. PMID:26351980

  8. Leisure activity patterns and their associations with overweight: a prospective study among adolescents.

    PubMed

    Lajunen, Hanna-Reetta; Keski-Rahkonen, Anna; Pulkkinen, Lea; Rose, Richard J; Rissanen, Aila; Kaprio, Jaakko

    2009-10-01

    We examined longitudinal associations between individual leisure activities (television viewing, video viewing, computer games, listening to music, board games, musical instrument playing, reading, arts, crafts, socializing, clubs or scouts, sports, outdoor activities) and being overweight using logistic regression and latent class analysis in a cohort of Finnish twins responding to self-report questionnaires at 11-12 (N=5184), 14, and 17 years. We also studied activity patterns ("Active and sociable", "Active but less sociable", "Passive but sociable", "Passive and solitary") thought to represent different lifestyles. Among boys, activity patterns did not predict becoming overweight, but sports and playing an instrument reduced the risk and arts and listening to music increased it. Among girls, few individual leisure activities predicted becoming overweight. However, girls in the "Passive and solitary" cluster carried the greatest risk of becoming overweight in late adolescence. Studying leisure activities related to overweight may help focus specific interventions on high risk groups. PMID:19345989

  9. The role of minerals in the thermal alteration of organic matter. IV - Generation of n-alkanes, acyclic isoprenoids, and alkenes in laboratory experiments

    NASA Technical Reports Server (NTRS)

    Huizinga, Bradley J.; Tannenbaum, Eli; Kaplan, Isaac R.

    1987-01-01

    The effect of common sedimentary minerals (illite, Na-montmorillonite, or calcite) under different water concentrations on the generation and release of n-alkanes, acyclic isoprenoids, and select alkenes from oil-prone kerogens was investigated. Matrices containing Green River Formation kerogen or Monterey Formation kerogen, alone or in the presence of minerals, were heated at 200 or 300 C for periods of up to 1000 hours, and the pyrolysis products were analyzed. The influence of the first two clay minerals was found to be critically dependent on the water content. Under the dry pyrolysis conditions, both minerals significantly reduced alkene formation; the C12+ n-alkanes and acyclic isoprenoids were mostly destroyed by montmorillonite, but underwent only minor alteration with illite. Under hydrous conditions (mineral/water of 2/1), the effects of both minerals were substantially reduced. Calcite had no significant effect on the thermal evolution of the hydrocarbons.

  10. Oxa, Thia, Heterocycle, and Carborane Analogues of SQ109: Bacterial and Protozoal Cell Growth Inhibitors

    PubMed Central

    Li, Kai; Wang, Yang; Yang, Gyongseon; Byun, Sooyoung; Rao, Guodong; Shoen, Carolyn; Yang, Hongliang; Gulati, Anmol; Crick, Dean C.; Cynamon, Michael; Huang, Guozhong; Docampo, Roberto; No, Joo Hwan; Oldfield, Eric

    2015-01-01

    We synthesized a library of 48 analogs of the Mycobacterium tuberculosis cell growth inhibitor SQ109 in which the ethylene diamine linker was replaced by oxa-, thia- or heterocyclic species, and in some cases, the adamantyl group was replaced by a 1,2-carborane or the N-geranyl group by another hydrophobic species. Compounds were tested against Mycobacterium tuberculosis (H37Rv and/or Erdman), Mycobacterium smegmatis, Bacillus subtilis, Escherichia coli, Saccharomyces cerevisiae, Trypanosoma brucei and two human cell lines (human embryonic kidney, HEK293T, and the hepatocellular carcinoma, HepG2). Most potent activity was found against T. brucei, the causative agent of human African trypanosomiasis, and involved targeting of the mitochondrial membrane potential with 15 SQ109 analogs being more active than was SQ109 in cell growth inhibition, having IC50 values as low as 12 nM (5.5 ng/mL) and a selectivity index of ~300. PMID:26258172

  11. Design and automated production of 11C-alpha-methyl-l-tryptophan (11C-AMT).

    PubMed

    Huang, Xuan; Xiao, Xia; Gillies, Robert J; Tian, Haibin

    2016-05-01

    (11)C-alpha-methyl-l-tryptophan ([(11)C]AMT), a tryptophan metabolism PET tracer, has successfully been employed for brain serotonin pathway and indoleamine 2,3-dioxygenase (IDO) pathway related tumor imaging. We here report a reliable, automated procedure for routine synthesis of [(11)C]AMT based on an Eckert and Ziegler Modular-Lab system. The semi-preparative HPLC was incorporated into the system to improve chemical purity and specific activity. The 6-step radiosynthesis followed by HPLC-purification provided [(11)C]AMT in 5.3±1.2% (n=6, non-decay-corrected) overall radiochemical yield with radiochemical purity >99% and specific activity of 35-116GBq/μmol. Usually, 2.95±0.65GBq (n=6, EOS) patient ready dose was produced from about 55.5GBq [(11)C]CO2 in 50min. PMID:27150033

  12. Use of context in pragmatic language comprehension by children with Asperger syndrome or high-functioning autism.

    PubMed

    Loukusa, Soile; Leinonen, Eeva; Kuusikko, Sanna; Jussila, Katja; Mattila, Marja-Leena; Ryder, Nuala; Ebeling, Hanna; Moilanen, Irma

    2007-07-01

    Utilizing relevance theory, this study investigated the ability of children with Asperger syndrome (AS) and high-functioning autism (HFA) to use context when answering questions and when giving explanations for their correct answers. Three groups participated in this study: younger AS/HFA group (age 7-9, n=16), older AS/HFA group (age 10-12, n=23) and a normally functioning control group (age 7-9, n=23). The results indicated that the younger AS/HFA group did less well when answering contextually demanding questions compared to the control group, and the performance of the older AS/HFA group fell in between the younger AS/HFA group and the control group. Both AS/HFA groups had difficulties explaining their correct answers, suggesting that they are not always aware of how they have derived answers from the context. PMID:17072751

  13. Synthesis of new prophylactic antiradiation drugs. Progress report no. 2 (annual), 1 Aug 80-31 Jul 81

    SciTech Connect

    Bauer, L.

    1981-08-01

    This report presents details of the work done on the project (covered) during the last 12 months. Approaches to the synthesis of a number of 3-aryl l-(omega-aminoalkyl) adamantanes is described. Their final incorporation in the preparation of N-(adamantylalkyl) alpha-mercapto acetamidines, and derivatives, as potential antiradiation drugs is projected. The report divided into two major sections. The first deals with the preparation of 1,3-bis(2-aminoethyl) adamantane and its conversion to the disulfide of 1,3-bis(2-(mercaptomethylcarboxamidino) ethyl)-adamantane. The next section describes the synthesis of some 3-aryl-l-adamantanecarboxylic and acetic acids, 12 (n=0 or 1, respectively). These are the vital precursors needed for the synthesis of the essential 3-aryl (l-adamantylmethyl and ethylamines), 11, which will be a part of the N-substituent of the target alpha-mercaptoacetamidines and derivatives.

  14. Control of friction at the nanoscale

    DOEpatents

    Barhen, Jacob; Braiman, Yehuda Y.; Protopopescu, Vladimir

    2010-04-06

    Methods and apparatus are described for control of friction at the nanoscale. A method of controlling frictional dynamics of a plurality of particles using non-Lipschitzian control includes determining an attribute of the plurality of particles; calculating an attribute deviation by subtracting the attribute of the plurality of particles from a target attribute; calculating a non-Lipschitzian feedback control term by raising the attribute deviation to a fractionary power .xi.=(2m+1)/(2n+1) where n=1, 2, 3 . . . and m=0, 1, 2, 3 . . . , with m strictly less than n and then multiplying by a control amplitude; and imposing the non-Lipschitzian feedback control term globally on each of the plurality of particles; imposing causes a subsequent magnitude of the attribute deviation to be reduced.

  15. Infrared study of N-butylbenzamide - aromatic donor systems

    NASA Astrophysics Data System (ADS)

    Nikolić, A. D.; Perišić-Janjić, N.; Kobilarov, N. L.; Petrović, S. D.

    1984-03-01

    This paper is a part of an extensive study devoted to the behaviour of N-substituted amides in solutions (ref.1,2). N-n-butylbenzamide (NnBBA), N-iso-butylbenzamide (NiBBA) and N-tert-butylbenzamide (NtBBA) have been studied in CCl 4 - aromatic hydrocarbon (benzene and toluene) solutions by means of IR spectra, using NH fundamental stretching vibration region. Also, NtBBA systems have been examined by UV spectroscopy. On the other hand, NnBBA systems were subjected to gas chromatographic measurements. 1:1 hydrogen bonded complex formation between amide and the aromatic hydrocarbons is considered on the basis of the obtained results.

  16. Development of a NiO target for the production of 11C at ISAC/TRIUMF

    NASA Astrophysics Data System (ADS)

    Bricault, Pierre G.; Ames, Friedhelm; Dombsky, Marik; Kunz, Peter; Lassen, Jens; Mjøs, Anders; Wong, John

    2016-01-01

    High intensity 11C beams are necessary for the investigation of the formation of 12C via the nuclear reaction 11C(p, γ)12N → 12C + e+ + ν. The production of intense carbon beams on-line is quite challenging due to the thermodynamic properties and chemical reactivity of carbon at high temperatures. A previous attempt, using a medical isotope cyclotron production method in batch mode, was not conclusive. The intensity obtained was at least one order of magnitude too low for a direct proton capture experiment using the DRAGON facility at ISAC/TRIUMF. Producing a 11C beams using the ISOL method requires a target capable of efficiently releasing the carbon isotopes. NiO has been selected as a target material because most of the nickel carbides are not stable at high temperature. The development of carbon beams using a composite NiO/Ni target on-line is described.

  17. 2,2'-Dihydroxybiphenyl-3,3'-di-carb-aldehyde dioxime.

    PubMed

    Golovnia, Ekaterina; Prisyazhnaya, Elena V; Iskenderov, Turganbay S; Haukka, Matti; Fritsky, Igor O

    2009-01-01

    The mol-ecule of the title compound, C(14)H(12)N(2)O(4), lies across a crystallographic inversion centre situated at the mid-point of the C-C intra-annular bond. The mol-ecule is not planar, the dihedral angle between the aromatic rings being 50.1 (1)°. The oxime group is in an E position with respect to the -OH group and forms an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link mol-ecules into chains propagating along [001]. The crystal structure is further stabilized by inter-molecular stacking inter-actions between the rings [centroid-to-centroid distance = 3.93 (1) Å], resulting in layers parallel to the bc plane. PMID:21583689

  18. 2,2′-Dihydroxybiphenyl-3,3′-di­carb­aldehyde dioxime

    PubMed Central

    Golovnia, Ekaterina; Prisyazhnaya, Elena V.; Iskenderov, Turganbay S.; Haukka, Matti; Fritsky, Igor O.

    2009-01-01

    The mol­ecule of the title compound, C14H12N2O4, lies across a crystallographic inversion centre situated at the mid-point of the C—C intra-annular bond. The mol­ecule is not planar, the dihedral angle between the aromatic rings being 50.1 (1)°. The oxime group is in an E position with respect to the –OH group and forms an intra­molecular O—H⋯N hydrogen bond. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link mol­ecules into chains propagating along [001]. The crystal structure is further stabilized by inter­molecular stacking inter­actions between the rings [centroid-to-centroid distance = 3.93 (1) Å], resulting in layers parallel to the bc plane. PMID:21583689

  19. Preparation of flower-like CuO by a simple chemical precipitation method and their application as electrode materials for capacitor

    SciTech Connect

    Zhang Hongxia; Feng Jing; Zhang Milin

    2008-12-01

    A novel CuO electrode material with flower-like nanostructures was fabricated at a low temperature (80 deg. C) by a simple chemical precipitation method. Scanning electron microscopy (SEM) results showed that CuO with spherical and flower-like structure can be formed under a weak alkali (C{sub 6}H{sub 12}N{sub 4}), and CuO with sheets structure can be obtained under a strong alkali (NaOH). A possible growth mechanism of CuO nanocrystals was discussed. The flower-like CuO electrode exhibited a higher specific capacitance (133.6 Fg{sup -1}) and an excellent cycle performance at a high current density of 10 mA/cm{sup 2}. Specific capacitance of flower-like CuO was 405.3% higher than globular CuO (26.44 Fg{sup -1}) at 2 mA/cm{sup 2}.

  20. Influence of diamond and graphite bonds on mechanical properties of DLC thin films

    NASA Astrophysics Data System (ADS)

    Písařík, Petr; Jelínek, Miroslav; Kocourek, Tomáš; Remsa, Jan; Zemek, Josef; Lukeš, Jaroslav; Šepitka, Josef

    2015-03-01

    Mechanical properties of diamond-like carbon thin films with various ratios of sp3/sp2 bonds were studied. The films were prepared in argon atmosphere (0.25 Pa) by laser deposition method for laser energy densities from 4 J·cm-2 to 14 J·cm-2. The sp2 and sp3 bonds were calculated by X-ray photoelectron spectroscopy. Films contained sp3 bonds up to 70 %. Surface properties as roughness and atomic force microscopy topology were measured. Hardness (and reduced Young's modulus) were determined by nanoindentation and reached of 30 GPa (203 GPa). Films adhesion was studied using scratch test and was up to 12 N for biomedical alloy (titanium substrates - Ti-6Al-4V). Relations among deposition conditions and measured properties are presented.

  1. Crystal structure of bis­[μ-1,2-bis­(di­phenyl­phosphan­yl)ethane-κ2 P:P′]bis[(N,N′-di­ethyl­thio­urea-κS)iodidocopper(I)

    PubMed Central

    Khongsichan, Ladawan; Nimthong-Roldán, Arunpatcha; Pakawatchai, Chaveng; Wongnawa, Sumpun

    2015-01-01

    The binuclear title complex, [Cu2I2(C26H24P2)2(C5H12N2S)2], lies about an inversion centre. The CuI atom displays a distorted tetra­hedral coordination geometry defined by one S atom of an N,N′-di­ethyl­thio­urea ligand, two P atoms derived from two bridging 1,2-bis­(di­phenyl­phosphan­yl)ethane (dppe) ligands and one iodide ion. The dppe ligand bridges two symmetry-related CuI ions, forming a 10-membered Cu2P4C4 ring. An intra­molecular N—H⋯I hydrogen bond is noted. In the crystal, N—H⋯I hydrogen bonds link complex mol­ecules into layers parallel to (-101). PMID:26396862

  2. Discovery of a potent, selective, and orally bioavailable histamine H3 receptor antagonist SAR110068 for the treatment of sleep-wake disorders.

    PubMed

    Gao, Zhongli; Hurst, William J; Czechtizky, Werngard; Francon, Dominique; Griebel, Guy; Nagorny, Raisa; Pichat, Philippe; Schwink, Lothar; Stengelin, Siegfried; Hendrix, James A; George, Pascal G

    2013-11-15

    Previous studies have shown that compound 1 displayed high affinity towards histamine H3 receptor (H3R), (human (h-H3R), K(i)=8.6 nM, rhesus monkey (rh-H3R), K(i)=1.2 nM, and rat (r-H3R), K(i)=16.5 nM), but exhibited high affinity for hERG channel. Herein, we report the discovery of a novel, potent, and highly selective H3R antagonist/inverse agonist 5a(SS) (SAR110068) with acceptable hERG channel selectivity and desirable pharmacological and pharmacokinetic properties through lead optimization sequence. The significant awakening effects of 5a(SS) on sleep-wake cycles studied by using EEG recording in rats during their light phase support its potential therapeutic utility in human sleep-wake disorders. PMID:24076172

  3. Crystal structure of piperazine-1,4-diium bis­(4-amino­benzene­sulfonate)

    PubMed Central

    Kumar, K. Sathesh; Ranjith, S.; Sudhakar, S.; Srinivasan, P.; Ponnuswamy, M. N.

    2015-01-01

    The asymmetric unit of the title salt, C4H12N2 2+·2C6H6NO3S−, consists of half a piperazindiium dication, located about an inversion centre, and a 4-amino­benzene­sulfonate anion. The piperazine ring adopts a chair conformation. In the crystal, the cations and anions are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional framework. Within the framework there are C—H⋯π inter­actions and the N—H⋯O hydrogen bonds result in the formation of R 4 4(22) and R 3 4(13) ring motifs. PMID:26870510

  4. Synthesis and spectral study of new azo dye and its iron complexes derived from 2-naphthol and 2-amino-3-hydroxypyridine

    NASA Astrophysics Data System (ADS)

    G, Vidya V.; Sadasivan, V.; Meena, S. S.; Bhatt, Pramod

    2014-10-01

    An azodye C5H12N3O2 [LH] is synthesised by coupling diazotised 2-amino-3-hydroxy pyridine with 2-naphthol in ice cold condition. The Fe(II)and Fe(III) complexes were prepared by mixing ethanol solution of metal salt and azodye in 1:2 molar ratio. The dye and metal complexes are structurally characterised by elemental analysis, molar conductance, magnetic susceptibility measurements and spectral techniques like IR, UV-Vis, and Mössbauer analysis. Analytical data suggests the stoichiometry as [FeL2Cl(H2O)] for Fe(III) complex and [FeL2(H2O)] for Fe(II) complex. The IR spectral data suggests that [L-] is acting as a uninegative bidentate ligand. A high spin octahedral geometry is tentatively proposed for both the complexes with respect to the above studies.

  5. 2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate

    PubMed Central

    Matulková, Irena; Císařová, Ivana; Němec, Ivan

    2010-01-01

    In the crystal of the title compound, C8H12N5 +·C4H5O4 −·CH3OH, the hydrogen succinate anions form infinite [010] chains via short, almost symmetrical, O⋯H⋯O hydrogen bonds. The 2-phenyl­biguanidium cations inter­connect these chains into layers lying parallel to the bc plane by way of N—H⋯O links. These planes only weakly inter­act in the direction of the a axis via C—H⋯π contacts between offset phenyl rings, leaving as much as 17% of the unit-cell volume accessible for the solvent. However, the methanol solvent mol­ecules could not be resolved due to extensive disorder and their assumed presence was removed from the overall scattering by the PLATON SQUEEZE procedure. PMID:21589482

  6. Dichlorido(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)zinc(II)

    PubMed Central

    Khalighi, Aida; Ahmadi, Roya; Amani, Vahid; Khavasi, Hamid Reza

    2008-01-01

    The asymmetric unit of the title compound, [ZnCl2(C12H12N2)], contains two independent mol­ecules. The ZnII atoms are four-coordinated in distorted tetra­hedral configurations by two N atoms from 5,5′-dimethyl-2,2′-bipyridine and two terminal Cl atoms. In the crystal structure, inter­molecular C—H⋯Cl hydrogen bonds link the mol­ecules. There are C—H⋯π contacts between the methyl groups and the pyridine and five-membered rings containing ZnII atoms; π–π contacts also exist between the pyridine rings [centroid–centroid distances = 3.665 (5) and 3.674 (5) Å]. PMID:21201646

  7. Universal shocks in random matrix theory

    NASA Astrophysics Data System (ADS)

    Blaizot, Jean-Paul; Nowak, Maciej A.

    2010-11-01

    We link the appearance of universal kernels in random matrix ensembles to the phenomenon of shock formation in some fluid dynamical equations. Such equations are derived from Dyson’s random walks after a proper rescaling of the time. In the case of the Gaussian unitary ensemble, on which we focus in this paper, we show that the characteristics polynomials and their inverse evolve according to a viscid Burgers equation with an effective “spectral viscosity” νs=1/2N , where N is the size of the matrices. We relate the edge of the spectrum of eigenvalues to the shock that naturally appears in the Burgers equation for appropriate initial conditions, thereby suggesting a connection between the well-known microscopic universality of random matrix theory and the universal properties of the solution of the Burgers equation in the vicinity of a shock.

  8. Crystal structure of l-tryptophan–fumaric acid–water (1/1/1)

    PubMed Central

    Caroline, M. Lydia; Kumaresan, S.; Aravindan, P. G.; Mohamed, M. Peer; Mani, G.

    2015-01-01

    In the title compound, C11H12N2O2·C4H4O4·H2O, the l-tryp­to­phan mol­ecule crystallized as a zwitterion, together with a neutral fumaric acid mol­ecule and a water solvent mol­ecule. In the crystal, the three components are linked by a series of N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, forming slabs lying parallel to (001). The slabs are connected by O—H⋯O hydrogen bonds, involving inversion-related fumaric acid groups, leading to the formation of a three-dimensional structure. PMID:26396891

  9. Quantitative ion-exchange separation of plutonium from impurities

    SciTech Connect

    Pietri, C.E.; Freeman, B.P.; Weiss, J.R.

    1981-09-01

    The methods used at the New Brunswick Laboratory for the quantitative ion exchange separation of plutonium from impurities prior to plutonium assay are described. Other ion exchange separation procedures for impurity determination and for isotopic abundance measurements are given. The primary technique used consists of sorption of plutonium(IV) in 8N HNO/sub 3/ on Dowex-1 anion exchange resin and elution of the purified plutonium with 0.3N HCl-0.01N HF. Other methods consist of the anion exchange separation of plutonium(IV) in 12N HCl and the cation exchange separation of plutonium(III) in 0.2 N HNO/sub 3/. The application of these procedures to the subsequent assay of plutonium, isotopic analysis, and impurity determination is described.

  10. High nitrogen explosives. Part 2. Dibenzo-1,3a,4,6a-tetraazapentalenes and benzo-1 2,3,4-tetrazine-1,3-dioxides. Progress report, February 1994-June 1995

    SciTech Connect

    Altmann, K.L.; Merwin, L.H.; Norris, W.P.; Wilson, W.S.; Gilardi, R.

    1996-08-01

    High nitrogen materials are sought as a potentially dense, powerful but insensitive explosive and propellant ingredients. Elucidation of the structure and chemistry of dibenzo-1 ,3a,4,6a-tetraazapentalenes has continued, with particular attention to a putative C12N12O12 derivative initially prepared at the University of New Orleans. This research contributed substantially to identification of the actual o-quinone hydrate structure, and explanation of the apparently anomalous explosive insensitivity of the material. Synthesis of the novel 5,7-dinitrobenzo-1, 2,3,4-tetrazine-1,3-dioxide has been repeated, its structure has been confirmed, and preliminary evaluation of its explosive sensitivity has been completed.

  11. Fusion energy calorimeter for the tokamak fusion test reactor

    SciTech Connect

    Jassby, D.L.; Imel, G.R.

    1981-04-01

    One and two-dimensional neutronic analyses treating the transport and scattering of neutrons and the production and transport of gamma rays in the TFTR demonstrate that the fusion energy production in a D-T pulse in the TFTR can be determined with an uncertainty of +- 15% or less, simply by integrating the measured profile of temperature increase along the central radial axis of a large hydrocarbon moderator that fills the bay between adjacent toroidal-field coils, just outside the vacuum vessel. Limitations in thermopile temperature measurements dictate a minimum fusion-neutron fluence at the vacuum vessel of the order of 10/sup 12/ n/cm/sup 2/ per pulse (a source strength of 10/sup 18/ n/pulse in TFTR), in order that this simple calorimeter can provide useful accuracy.

  12. The impact of science education games on prescription drug abuse attitudes among teens: a case study.

    PubMed

    Klisch, Yvonne; Bowling, Kristi G; Miller, Leslie M; Ramos, Miguel A

    2013-01-01

    Two online science education games, in which players learn about the risks of prescription drug abuse in the context of investigating crimes, were evaluated to determine shifts of prescription drug abuse attitudes attributable to game exposure. High school students from grades 11 and 12 (n = 179) were assigned to one of the games and participated in a pretest, two game-play sessions, and a delayed posttest. Students in both groups demonstrated more negative attitudes toward prescription drug abuse after playing the game, driven by changes of students' normative beliefs and their ability to make the connection between prescription drug abuse and illicit drugs. A secondary aim was to assess gains in science knowledge; however, due to low internal consistency reliabilities of content measures, students' knowledge acquisition could not be determined. PMID:25445507

  13. Crystal structure of 1-methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea

    SciTech Connect

    Habibi, A. Ghorbani, H. S.; Bruno, G.; Rudbari, H. A.; Valizadeh, Y.

    2013-12-15

    The crystal structure of 1-Methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea (C{sub 9}H{sub 12}N{sub 2}O{sub 5}) has been determined by single crystal X-ray diffraction analysis. The crystals are monoclinic, a = 5.3179(2), b = 18.6394(6), c =10.8124(3) Å, β = 100.015(2)°, Z = 4, sp. gr. P2{sub 1}/c, R = 0.0381 for 2537 reflections with I > 2σ(I). Except for C(CH{sub 3}){sub 2} group, the molecule is planar. The structure is stabilized by inter- and intramolecular N-H...O hydrogen bonds and weak C-H...O interactions.

  14. 5,6-Dimethyl-4-(thio-phen-2-yl)-1H-pyrazolo-[3,4-b]pyridin-3-amine.

    PubMed

    Abdel-Aziz, Hatem A; Al-Rashood, Khalid A; Ghabbour, Hazem A; Chantrapromma, Suchada; Fun, Hoong-Kun

    2012-03-01

    In the title mol-ecule, C(12)H(12)N(4)S, the thio-phene ring is disordered over two orientations with a refined site-occupancy ratio of 0.777 (4):0.223 (4). The pyrazolo-pyridine ring system is essentially planar with an r.m.s. deviation of 0.0069 (3) Å and makes dihedral angles of 82.8 (2) and 72.6 (5)°, respectively, with the major and minor components of the thio-phene ring. In the crystal, mol-ecules are linked into a chain along the a axis by a pair of N-H⋯N(pyrazole) hydrogen bonds and a pair of N-H⋯N(pyridine) hydrogen bonds, both having a centrosymmetric R(2) (2)(8) graph-set motif. A C-H⋯π inter-action is also present. PMID:22412524

  15. 2-Amino-6-methyl-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile.

    PubMed

    Ziaulla, Mohamed; Banu, Afshan; Begum, Noor Shahina; Panchamukhi, Shridhar I; Khazi, I M

    2011-01-01

    In the title compound, C(10)H(12)N(2)S, one of the C atoms of the cyclo-hexene ring (at position 6) and the methyl group attached to it are disordered over two sets of sites in a 0.650 (3):0.350 (3) ratio. The cyclo-hexene ring in both the major and minor occupancy conformers adopts a half-chair conformation. The thio-phene ring is essentially planar (r.m.s. deviation = 0.05 Å). In the crystal, N-H⋯N hydrogen bonds involving the amino groups result in inversion dimers with R(2) (2)(12) graph-set motif. Further N-H⋯N hydrogen bonds involving the amino and carbonitrile groups generate zigzag chains along the a axis. PMID:21522444

  16. 2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.

    PubMed

    Khan, Ashraf Y; Fathima, Nikhath; Kalashetti, Mallikarjun B; Begum, Noor Shahina; Khazi, I M

    2012-10-01

    In the title compound, C(10)H(12)N(2)S, the thio-phene ring is essentially planar (r.m.s. deviation = 0.0290 Å). The two C atoms of the cyclo-hexene ring (at positions 6 and 7) are disordered over two sets of sites in a 0.810 (5):0.190 (5) ratio. The cyclo-hexene rings in both the major and minor occupancy conformers adopt a half-chair conformation. In the crystal, there are two types of N-H⋯N inter-action. One of these results in centrosymmetric head-to-head dimers corresponding to an R(2) (2)(12) graph-set motif and the other forms a 20-membered macrocyclic ring involving six mol-ecules. PMID:23125792

  17. Crustal structure of the Churchill-Superior boundary zone between 80 and 98 deg W longitude from Magsat anomaly maps and stacked passes

    NASA Technical Reports Server (NTRS)

    Hall, D. H.; Millar, T. W.; Noble, I. A.

    1985-01-01

    A modeling technique using spherical shell elements and equivalent dipole sources has been applied to Magsat signatures at the Churchill-Superior boundary in Manitoba, Ontario, and Ungava. A large satellite magnetic anomaly (12 nT amplitude) on POGO and Magsat maps near the Churchill-Superior boundary was found to be related to the Richmond Gulf aulacogen. The averaged crustal magnetization in the source region is 5.2 A/m. Stacking of the magnetic traces from Magsat passes reveals a magnetic signature (10 nT amplitude) at the Churchill-Superior boundary in an area studied between 80 deg W and 98 deg W. Modeling suggests a steplike thickening of the crust on the Churchill side of the boundary in a layer with a magnetization of 5 A/m. Signatures on aeromagnetic maps are also found in the source areas for both of these satellite anomalies.

  18. Capillary electrophoresis-electrochemistry microfluidic system for the determination of organic peroxides

    NASA Technical Reports Server (NTRS)

    Wang, Joseph; Escarpa, Alberto; Pumera, Martin; Feldman, Jason; Svehla, D. (Principal Investigator)

    2002-01-01

    A microfluidic analytical system for the separation and detection of organic peroxides, based on a microchip capillary electrophoresis device with an integrated amperometric detector, was developed. The new microsystem relies on the reductive detection of both organic acid peroxides and hydroperoxides at -700 mV (vs. Ag wire/AgCl). Factors influencing the separation and detection processes were examined and optimized. The integrated microsystem offers rapid measurements (within 130 s) of these organic-peroxide compounds, down to micromolar levels. A highly stable response for repetitive injections (RSD 0.35-3.12%; n = 12) reflects the negligible electrode passivation. Such a "lab-on-a-chip" device should be attractive for on-site analysis of organic peroxides, as desired for environmental screening and industrial monitoring.

  19. Sensory Adapted Dental Environments to Enhance Oral Care for Children with Autism Spectrum Disorders: A Randomized Controlled Pilot Study

    PubMed Central

    Cermak, Sharon A.; Stein Duker, Leah I.; Williams, Marian E.; Dawson, Michael E.; Lane, Christianne J.; Polido, José C.

    2015-01-01

    This pilot and feasibility study examined the impact of a sensory adapted dental environment (SADE) to reduce distress, sensory discomfort, and perception of pain during oral prophylaxis for children with autism spectrum disorder (ASD). Participants were 44 children ages 6-12 (n=22 typical, n=22 ASD). In an experimental crossover design, each participant underwent two professional dental cleanings, one in a regular dental environment (RDE) and one in a SADE, administered in a randomized and counterbalanced order three to four months apart. Outcomes included measures of physiological anxiety, behavioral distress, pain intensity, and sensory discomfort. Both groups exhibited decreased physiological anxiety and reported lower pain and sensory discomfort in the SADE condition compared to RDE, indicating a beneficial effect of the SADE. PMID:25931290

  20. Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo­phenyl N-(pyridin-3-yl)carbamate monohydrates

    PubMed Central

    Mocilac, Pavle; Gallagher, John F.

    2015-01-01

    The title carbamate monohydrates, C13H12N2O2·H2O and C12H9BrN2O2·H2O, form isomorphous crystals that are isostructural in their primary hydrogen-bonding modes. In both carbamates, the primary hydrogen bonding and aggregation involves cyclic amide–water–pyridine moieties as (N—H⋯O—H⋯N)2 dimers about inversion centres [as R 4 4(14) rings], where the participation of strong hydrogen-bonding donors and acceptors is maximized. The remaining water–carbonyl O—H⋯O=C inter­action extends the aggregation into two-dimensional planar sheets that stack parallel to the (100) plane. The Br derivative does not participate in halogen bonding. A weak intra­molecular C—H⋯O hydrogen bond is observed in each compound. PMID:26594512

  1. Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo-phenyl N-(pyridin-3-yl)carbamate monohydrates.

    PubMed

    Mocilac, Pavle; Gallagher, John F

    2015-11-01

    The title carbamate monohydrates, C13H12N2O2·H2O and C12H9BrN2O2·H2O, form isomorphous crystals that are isostructural in their primary hydrogen-bonding modes. In both carbamates, the primary hydrogen bonding and aggregation involves cyclic amide-water-pyridine moieties as (N-H⋯O-H⋯N)2 dimers about inversion centres [as R 4 (4)(14) rings], where the participation of strong hydrogen-bonding donors and acceptors is maximized. The remaining water-carbonyl O-H⋯O=C inter-action extends the aggregation into two-dimensional planar sheets that stack parallel to the (100) plane. The Br derivative does not participate in halogen bonding. A weak intra-molecular C-H⋯O hydrogen bond is observed in each compound. PMID:26594512

  2. Dissolved methane concentration profiles and air-sea fluxes from 41°S to 27°N

    NASA Astrophysics Data System (ADS)

    Kelley, Cheryl A.; Jeffrey, Wade H.

    2002-07-01

    Water column samples from a transect cruise from southern Chile through the Panama Canal to the Gulf of Mexico were used to determine dissolved methane depth profiles and air-sea methane fluxes. In the Gulf of Mexico, surface concentrations were approximately 40% supersaturated with respect to the atmosphere, whereas near the equator and in the Peru upwelling region, 10-20% supersaturation generally occurred. These saturation ratios translate into an average flux of methane from the sea surface to the atmosphere of 0.38 μmol m-2 d-1. In addition, water column profiles of dissolved methane indicate that subsurface maxima in dissolved methane concentrations are a consistent feature of the open ocean, except near the equator. At the equator, the subsurface peak at the base of the mixed layer may be bowed down by the Equatorial Undercurrent. The highest methane concentration (12 nM) was observed in the Peru upwelling region.

  3. Metallic layered composite materials produced by explosion welding: Structure, properties, and structure of the transition zone

    NASA Astrophysics Data System (ADS)

    Mal'tseva, L. A.; Tyushlyaeva, D. S.; Mal'tseva, T. V.; Pastukhov, M. V.; Lozhkin, N. N.; Inyakin, D. V.; Marshuk, L. A.

    2014-10-01

    The structure, morphology, and microhardness of the transition zone in multilayer metallic composite joints are studied, and the cohesion strength of the plates to be joined, the mechanical properties of the formed composite materials, and fracture surfaces are analyzed. The materials to be joined are plates (0.1-1 mm thick) made of D16 aluminum alloy, high-strength maraging ZI90-VI (03Kh12N9K4M2YuT) steel, BrB2 beryllium bronze, and OT4-1 titanium alloy. Composite materials made of different materials are shown to be produced by explosion welding. The dependence of the interface shape (smooth or wavelike) on the physicomechanical properties of the materials to be joined is found. The formation of a wavelike interface is shown to result in the formation of intense-mixing regions in transition zones. Possible mechanisms of layer adhesion are discussed.

  4. Communication: An efficient algorithm for evaluating the Breit and spin-spin coupling integrals

    NASA Astrophysics Data System (ADS)

    Shiozaki, Toru

    2013-03-01

    We present an efficient algorithm for evaluating a class of two-electron integrals of the form {r}_{12}⊗ {r}_{12}/r_{12}^n over one-electron Gaussian basis functions. The full Breit interaction in four-component relativistic theories beyond the Gaunt term is such an operator with n = 3. Another example is the direct spin-spin coupling term in the quasi-relativistic Breit-Pauli Hamiltonian (n = 5). These integrals have been conventionally evaluated by expensive derivative techniques. Our algorithm is based on tailored Gaussian quadrature, similar to the Rys quadrature for electron repulsion integrals (ERIs), and can utilize the so-called horizontal recurrence relation to reduce the computational cost. The CPU time for computing all six Cartesian components of the Breit or spin-spin coupling integrals is found to be only 3 to 4 times that of the ERI evaluation.

  5. Communication: An efficient algorithm for evaluating the Breit and spin-spin coupling integrals.

    PubMed

    Shiozaki, Toru

    2013-03-21

    We present an efficient algorithm for evaluating a class of two-electron integrals of the form r12⊗r12/r12(n) over one-electron Gaussian basis functions. The full Breit interaction in four-component relativistic theories beyond the Gaunt term is such an operator with n = 3. Another example is the direct spin-spin coupling term in the quasi-relativistic Breit-Pauli Hamiltonian (n = 5). These integrals have been conventionally evaluated by expensive derivative techniques. Our algorithm is based on tailored Gaussian quadrature, similar to the Rys quadrature for electron repulsion integrals (ERIs), and can utilize the so-called horizontal recurrence relation to reduce the computational cost. The CPU time for computing all six Cartesian components of the Breit or spin-spin coupling integrals is found to be only 3 to 4 times that of the ERI evaluation. PMID:23534619

  6. KRAS Mutations in Canine and Feline Pancreatic Acinar Cell Carcinoma.

    PubMed

    Crozier, C; Wood, G A; Foster, R A; Stasi, S; Liu, J H W; Bartlett, J M S; Coomber, B L; Sabine, V S

    2016-07-01

    Companion animals may serve as valuable models for studying human cancers. Although KRAS is the most commonly mutated gene in human ductal pancreatic cancers (57%), with mutations frequently occurring at codons 12, 13 and 61, human pancreatic acinar cell carcinomas (ACCs) lack activating KRAS mutations. In the present study, 32 pancreatic ACC samples obtained from 14 dogs and 18 cats, including seven metastases, were analyzed for six common activating KRAS mutations located in codons 12 (n = 5) and 13 (n = 1) using Sequenom MassARRAY. No KRAS mutations were found, suggesting that, similar to human pancreatic ACC, KRAS mutations do not play a critical role in feline or canine pancreatic ACC. Due to the similarity of the clinical disease in dogs and cats to that of man, this study confirms that companion animals offer potential as a suitable model for investigating this rare subtype of pancreatic carcinoma. PMID:27290644

  7. QED-1 device and measurements of gettering efficiency for a simulated divertor plasma

    SciTech Connect

    Owens, D.K.; Yamada, M.

    1980-03-01

    The QED-1 device at PPL has provided gettering efficiency data for neutralized hydrogen plasma on titanium. The hollow-anode arcjet produces a plasma column 1 cm in diameter with 10/sup 12/ < n/sub e/ < 10/sup 15/ cm/sup -3/ and T/sub i/ approx.< T/sub e/ = 3-10 eV, confined by an axial magnetic field of 1-6 kG. The gettering measurements are based on monitoring neutral gas density with respect to time in the divertor simulation chamber of QED-1. The present results indicate that the plasma particles lose their charge and most of their energy when they strike the neutralizer plate.

  8. On computing factors of cyclotomic polynomials

    NASA Astrophysics Data System (ADS)

    Brent, Richard P.

    1993-07-01

    For odd square-free n > 1 the cyclotomic polynomial {Φ_n}(x) satisfies the identity of Gauss, 4{Φ_n}(x) = A_n^2 - {( - 1)^{(n - 1)/2}}nB_n^2. A similar identity of Aurifeuille, Le Lasseur, and Lucas is {Φ_n}({( - 1)^{(n - 1)/2}}x) = C_n^2 - nxD_n^2 or, in the case that n is even and square-free, ± {Φ_{n/2}}( - {x^2}) = C_n^2 - nxD_n^2. Here, {A_n}(x), ldots ,{D_n}(x) are polynomials with integer coefficients. We show how these coefficients can be computed by simple algorithms which require O({n^2}) arithmetic operations and work over the integers. We also give explicit formulae and generating functions for {A_n}(x), ldots ,{D_n}(x) , and illustrate the application to integer factorization with some numerical examples.

  9. Spectroscopy of the three-photon laser excitation of cold Rubidium Rydberg atoms in a magneto-optical trap

    SciTech Connect

    Entin, V. M.; Yakshina, E. A.; Tretyakov, D. B.; Beterov, I. I.; Ryabtsev, I. I.

    2013-05-15

    The spectra of the three-photon laser excitation 5S{sub 1/2} {yields} 5P{sub 3/2} {yields} 6S{sub 1/2}nP of cold Rb Rydberg atoms in an operating magneto-optical trap based on continuous single-frequency lasers at each stage are studied. These spectra contain two partly overlapping peaks of different amplitudes, which correspond to coherent three-photon excitation and incoherent three-step excitation due to the presence of two different ways of excitation through the dressed states of intermediate levels. A four-level theoretical model based on optical Bloch equations is developed to analyze these spectra. Good agreement between the experimental and calculated data is achieved by introducing additional decay of optical coherence induced by a finite laser line width and other broadening sources (stray electromagnetic fields, residual Doppler broadening, interatomic interactions) into the model.

  10. Direct writing of Cu-based micro-temperature detectors using femtosecond laser reduction of CuO nanoparticles

    NASA Astrophysics Data System (ADS)

    Mizoshiri, Mizue; Arakane, Shun; Sakurai, Junpei; Hata, Seiichi

    2016-03-01

    Cu-based micro-temperature detectors were fabricated using femtosecond laser reduction of CuO nanoparticles. Cu-based microstructures were directly created by laser scanning on a CuO nanoparticle solution film. Cu-rich and Cu2O-rich microstructures were selectively formed to electrically connect two Cu thin-film electrodes for use in temperature detectors. Cu-rich and Cu2O-rich micro-temperature detectors were fabricated at scanning speeds of 500 and 1000 µm/s, respectively, at a pulse energy of 1.2 nJ. The temperature coefficient of resistance values of the Cu-rich and Cu2O-rich microstructures were positive and negative, respectively; these temperature behaviors are typical of metal and semiconductor materials, respectively.

  11. Bis(2,2-dinitro­prop­yl)formal

    PubMed Central

    Liu, Fei; Dai, Huajun; Huang, Zhong; Liu, Yonggang; Kou, Xingming

    2009-01-01

    The complete mol­ecule of the title compound [systematic name: bis(2,2-dinitro­prop­oxy)methane], C7H12N4O10, which was synthesized by the condensation reaction between 2,2-dinitro­propanol and paraformaldehyde in methyl­ene chloride, is generated by crystallographic twofold symmetry with one C atom lying on the rotation axis. In the crystal structure, mol­ecules are linked into chains running parallel to the b axis by inter­molecular C—H⋯O hydrogen-bond inter­actions, generating rings of graph-set motif R 2 2(14). PMID:21582607

  12. Optical interferometry at the Heisenberg limit with twin Fock states and parity measurements

    SciTech Connect

    Campos, R. A.; Gerry, Christopher C.; Benmoussa, A.

    2003-08-01

    Holland and Burnett [Phys. Rev. Lett. 71, 1355 (1993)] have argued that twin Fock states of equal photon number N injected at both input ports of a Mach-Zehnder interferometer lead to phase measurements with accuracies approaching the Heisenberg limit {delta}{phi}{sub HL}=1/(2N). However, the method of phase detection suggested by those authors, obtaining the difference of the photocurrents at the output ports of the interferometer, is not sensitive to the phase difference between the two interferometer paths; in fact, the photocurrent vanishes. In this paper we show that the use of parity measurements on just one of the output modes not only is sensitive to the phase difference but that the sensitivity approaches the Heisenberg limit for large N.

  13. 2,2′-(1,3-Diazinane-1,3-di­yl)diaceto­nitrile: a second monoclinic polymorph

    PubMed Central

    Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal

    2011-01-01

    A new monoclinic polymorph of the title compound, C8H12N4, in the space group P21/n (Z = 4) is reported. The previously known form was also monoclinic, P21 /c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993 ▶). Acta Cryst. C49, 354–355]. The hexa­hydro­pyrimidine ring of the title compound adopts a chair conformation with a diequatorial substitution and with the CH2-C N groups oriented nearly parallel and in the same direction [NC—CH2⋯CH2—CN pseudo torsion angle = −6.27 (18)°]. In the crystal, inter­molecular C—H⋯ N hydrogen bonds connects the mol­ecules into a chain along the b axis. PMID:22065712

  14. Molecular study of VWF gene from Mexican Mestizo patients with von Willebrand disease, and the finding of three new mutations.

    PubMed

    Melo-Nava, Brenda M; Benítez, Herminia; Palacios, J Jorge; Nieva, Beatriz; Arenas, Diego; Jaloma-Cruz, A Rebeca; Navarrete, Carmen; Salamanca, Fabio; Peñaloza, Rosenda

    2007-01-01

    To investigate the origin of von Willebrand disease in Mexican Mestizo population, we analyzed exons 18, 19, 20, 28, 45, and 52 of the VWF gene from 34 Mexican Mestizo index cases, 28 of them affected but not related, using DNA amplification by polymerase chain reaction and direct sequencing. We found three novel mutations: E1447Q in one patient with type 1; P2781S in one patient with type 2M; and P812L in another type 1/2N patient. These mutations were not found in 100 normal alleles. Moreover, we found other mutations previously reported in the literature; one of them (G1609R) was the most frequent (6/28) in patients with VWD type 2A. This is the first molecular study in a Mexican group that has a particular mixture of Indigenous, Caucasian, and African genes. PMID:17681836

  15. Atmospheric boundary layer processes during a total solar eclipse

    SciTech Connect

    SethuRaman, S.; Prabhu, A.; Narahari Rao, K.; Narasimha, R.

    1980-01-01

    The total solar eclipse that occurred over the southern part of India on February 16, 1980, gave a unique opportunity to study the earth's atmospheric boundary layer. The meteorological experiments during the 1980 solar eclipse were conducted at Raichur, India (16/sup 0/12'N, 77/sup 0/21'E) located in the state of Karnataka, approximately 400-m above sea level. The main objective was to determine the changes in the earth's atmosphere during and immediately after the eclipse. The goal was to study the changes in the momentum and heat fluxes in the boundary layer due to the eclipse. Measurements were made for 2 days prior to and 1 day after the day of the eclipse to determine background characteristics of the boundary layer which might be site-dependent.

  16. Design status of an intense 14 MeV neutron source for cancer therapy

    NASA Astrophysics Data System (ADS)

    Yao, Ze-En; Su, Tong-Ling; Cheng, Shang-Wen; Jia, Wen-Bao

    2002-09-01

    Design and development of an intense 14 MeV neutron source for cancer therapy is in progress at the Institute of Nuclear Research of Lanzhou University. The neutrons from the T(d,n) 4He reaction are produced by bombarding a rotating titanium tritide target with a 40 mA deuteron beam at 600 keV. The designed neutron yield is 8×10 12 n/s and the maximum dose rate at a 100 cm source-to-skin distance is 25 cGy/min. The HV terminal, accelerating column and HV power supply are enclosed inside a stainless steel pressure vessel containing 6 atm SF 6 gas to provide the electrical insulation.

  17. Dynamical configurations of celestial systems comprised of multiple irregular bodies

    NASA Astrophysics Data System (ADS)

    Jiang, Yu; Zhang, Yun; Baoyin, Hexi; Li, Junfeng

    2016-09-01

    This manuscript considers the main features of the nonlinear dynamics of multiple irregular celestial body systems. The gravitational potential, static electric potential, and magnetic potential are considered. Based on the three established potentials, we show that three conservative values exist for this system, including a Jacobi integral. The equilibrium conditions for the system are derived and their stability analyzed. The equilibrium conditions of a celestial system comprised of n irregular bodies are reduced to 12n - 9 equations. The dynamical results are applied to simulate the motion of multiple-asteroid systems. The simulation is useful for the study of the stability of multiple irregular celestial body systems and for the design of spacecraft orbits to triple-asteroid systems discovered in the solar system. The dynamical configurations of the five triple-asteroid systems 45 Eugenia, 87 Sylvia, 93 Minerva, 216 Kleopatra, and 136617 1994CC, and the six-body system 134340 Pluto are calculated and analyzed.

  18. The Large closo-Borane Dianions, B(n)()H(n)()(2-) (n = 13-17) Are Aromatic, Why Are They Unknown?

    PubMed

    Schleyer, Paul von Ragué; Najafian, Katayoun; Mebel, Alexander M.

    1998-12-28

    The relative stabilities of the unknown larger closo-borane dianions B(n)()H(n)()(2)(-) (n = 13-17), were evaluated at the B3LYP/6-31G level of density functional theory by comparing the average energies, E/n, and also by the energies using the model equation: B(n)()(-)(1)H(n)()(-)(1)(2)(-) + B(6)H(10) --> B(n)()H(n)()(2)(-) + B(5)H(9) (n = 6-17). Starting with the small closo-borane, B(5)H(5)(2)(-), the sequential addition of BH groups is represented by formal transfer from B(6)H(10) to build up larger and larger clusters. Most of the energies for these sequential steps are exothermic, but not for the B(12)H(12)(2)(-) to B(13)H(13)(2)(-) and the B(14)H(14)(2)(-) to B(15)H(15)(2)(-) stages. The cumulative total energies (DeltaH(add)) of these BH group additions, based on B(5)H(5)(2)(-) as the reference zero, tend to increase with increasing cluster size. DeltaH(add) indicates that the larger unknown closo-boranes B(13)H(13)(2)(-) to B(17)H(17)(2)(-) are more stable than B(9)H(9)(2)(-), B(10)H(10)(2)(-), and B(11)H(11)(2)(-); this agrees with E/n and with Lipscomb's earlier conclusion based on the PRDDO average energies. B(13)H(13)(2)(-), B(14)H(14)(2)(-), and B(15)H(15)(2)(-) are less stable than B(12)H(12)(2)(-), which has the lowest average energy on a per vertex basis among the closo-borane dianions. However, the total DeltaH(add) treatment indicates the larger B(16)H(16)(2)(-) and B(17)H(17)(2)(-) to be favorable relative to B(12)H(12)(2)(-), because of the larger number of vertexes. The formation of B(13)H(13)(2)(-) from B(12)H(12)(2)(-) is especially unfavorable. The further formation of B(14)H(14)(2)(-) and B(15)H(15)(2)(-) via BH transfer also is endothermic. These are not the only thermodynamic difficulties in building up large closo-borane dianions beyond B(12)H(12)(2)(-). The highly exothermic disproportionation of larger and smaller closo-borane dianions, e.g., B(12+)(n)()H(12+)(n)()(2)(-) + B(12)(-)(n)()H(12)(-)(n)()(2)(-) --> 2B(12)H(12)(2)(-) (n = 1

  19. Predictors of quality of life as measured by the Burn Specific Health Scale in persons with major burn injury.

    PubMed

    Cromes, G F; Holavanahalli, R; Kowalske, K; Helm, P

    2002-01-01

    To determine 1) change over time in Quality of Life (QOL) and 2) functional, community reentry, and psychosocial predictors of QOL, data were prospectively collected from adults with major burn injury 2 months after hospital discharge (n = 110) and 6 (n = 97) and 12 (n = 69) months after injury. The dependent QOL variable was the Burn Specific Health Scale (BSHS) and the predictor variables were Brief Symptom Inventory, Functional Assessment Screening Questionnaire, Functional Independence Measure, Pain Analog Scale, and Community Integration Questionnaire. BSHS global scores were unchanged across the measurement periods. Stepwise multiple-regression analyses resulted in statistically significant multiple Rs of.79 at 2 months,.81 at 6 months, and.76 at 12 months. Variables predicting more favorable BSHS global score were less emotional distress and pain at 2 months, less emotional distress and pain and better community reentry at 6 months, and less emotional distress and better community reentry at 12 months. PMID:12032377

  20. Isospin decomposition of γ N →N* transitions within a dynamical coupled-channels model

    NASA Astrophysics Data System (ADS)

    Kamano, H.; Nakamura, S. X.; Lee, T.-S. H.; Sato, T.

    2016-07-01

    By extending the dynamical coupled-channels analysis performed in our previous work [Phys. Rev. C 88, 035209 (2013)], 10.1103/PhysRevC.88.035209 to include the available data of photoproduction of π mesons off neutrons, the transition amplitudes for the photoexcitation of the neutron-to-nucleon resonances, γ n →N* , at the resonance pole positions are determined. The combined fits to the data for both the proton- and neutron-target reactions also revise our results for the resonance pole positions and the γ p →N* transition amplitudes. Our results allow an isospin decomposition of the γ N →N* transition amplitudes for the isospin I =1/2 N* resonances, which is necessary for testing hadron structure models and gives crucial inputs for constructing models of neutrino-induced reactions in the nucleon resonance region.

  1. A Potent and Highly Efficacious Bcl-2/Bcl-xL Inhibitor

    PubMed Central

    McEachern, Donna; Yang, Chao-Yie; Meagher, Jennifer; Stuckey, Jeanne; Wang, Shaomeng

    2013-01-01

    Our previously reported Bcl-2/Bcl-xL inhibitor, 4, effectively inhibited tumor growth but failed to achieve complete regression in vivo. We have now performed extensive modifications on its pyrrole core structure, which has culminated in the discovery of 32 (BM-1074). Compound 32 binds to Bcl-2 and Bcl-xL proteins with Ki values of < 1 nM and inhibits cancer cell growth with IC50 values of 1-2 nM in four small-cell lung cancer cell lines sensitive to potent and specific Bcl-2/Bcl-xL inhibitors. Compound 32 is capable of achieving rapid, complete and durable tumor regression in vivo at a well-tolerated dose-schedule. Compound 32 is the most potent and efficacious Bcl-2/Bcl-xL inhibitor reported to date. PMID:23448298

  2. Crystal structure of iso­butyl­ammonium hydrogen oxalate hemihydrate

    PubMed Central

    Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof

    2014-01-01

    In the title hydrated mol­ecular salt, C4H12N+·C2HO4 −·0.5H2O, the O atom of the water mol­ecule lies on a crystallographic twofold axis. The dihedral angle between the CO2 and CO2H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O—H⋯O hydrogen bonds. The water mol­ecules are located between the chains of anions and iso­butyl­amine cations; their O atoms participate as donors and acceptors, respectively, in O—H⋯O and N—H⋯O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010]. PMID:25484814

  3. The heterometallic cadmium-silver complex cis-bis[dicyanidoargentato(I)-κN]bis(5,5'-dimethyl-2,2'-bipyridyl-κ(2)N,N')cadmium(II) monohydrate.

    PubMed

    Piromchom, Jureepan; Wannarit, Nanthawat; Pakawatchai, Chaveng; Youngme, Sujittra

    2013-10-01

    In the title complex, [Ag2Cd(CN)4(C12H12N2)2]·H2O or cis-[Cd{Ag(CN)2}2(5,5'-dmbpy)2]·H2O, where 5,5'-dmbpy is 5,5'-dimethyl-2,2'-bipyridyl, the asymmetric unit consists of a discrete neutral [Cd{Ag(CN)2}2(5,5'-dmbpy)2] unit and a solvent water molecule. The Cd(II) cation is coordinated by two bidentate chelate 5,5'-dmbpy ligands and two monodentate [Ag(I)(CN)2](-) anions, which are in a cis arrangement around the Cd(II) cation, leading to an octahedral CdN6 geometry. The overall structure is stabilized by a combination of intermolecular hydrogen bonding, and Ag(I)···Ag(I) and π-π interactions, forming a three-dimensional supramolecular network. PMID:24096502

  4. Ambler Class A Extended-Spectrum Beta-Lactamase-Producing Escherichia coli and Klebsiella spp. in Canadian Hospitals

    PubMed Central

    Mulvey, Michael R.; Bryce, Elizabeth; Boyd, David; Ofner-Agostini, Marianna; Christianson, Sara; Simor, Andrew E.; Paton, Shirley

    2004-01-01

    This report describes a study carried out to gain baseline information on the molecular characteristics of extended-spectrum beta-lactamase (ESBL)-producing Escherichia coli and Klebsiella spp. in Canada. A total of 29,323 E. coli and 5,156 Klebsiella sp. isolates were screened at 12 participating sites. Of these, 505 clinically significant, nonrepeat isolates displaying reduced susceptibility to the NCCLS-recommended beta-lactams were submitted to a central laboratory over a 1-year period ending on 30 September 2000. A total of 116 isolates were confirmed to be ESBL producers. PCR and sequence analysis revealed the presence of TEM-11 (n = 1), TEM-12 (n = 1), TEM-29 (n = 1), TEM-52 (n = 4), CTX-M-13 (n = 1), CTX-M-14 (n = 15), CTX-M-15 (n = 11), SHV-2 (n = 2), SHV-2a (n = 12), SHV-5 (n = 6), SHV-12 (n = 45), and SHV-30 (n = 2). Five novel beta-lactamases were identified and designated TEM-115 (n = 2), TEM-120 (n = 1), SHV-40 (n = 2), SHV-41 (n = 4), and SHV-42 (n = 1). In addition, no molecular mechanism was identified for five isolates displaying an ESBL phenotype. Macrorestriction analysis of all ESBL isolates was conducted, as was restriction fragment length polymorphism analysis of plasmids harboring ESBLs. Although a “clonal” distribution of isolates was observed at some individual sites, there was very little evidence suggesting intrahospital spread. In addition, examples of identical or closely related plasmids that were identified at geographically distinct sites across Canada are given. However, there was considerable diversity with respect to plasmid types observed. PMID:15047521

  5. Excitation of high frequency pressure driven modes by non-axisymmetric equilibrium at high {beta}{sub pol} in PBX-M

    SciTech Connect

    Sesnic, S.; Kaita, R.; Kaye, S.; Okabayashi, M.; Takahashi, H.; Bell, R.E.; Bernabei, S.; Chance, M.S.; Hatcher, R.E.; Jardin, S.C.; Kessel, C.E.; Kugel, H.W.; LeBlanc, B.; Manickam, J.; Ono, M.; Paul, S.F.; Sauthoff, N.R.; Holland, A.; Asakura, N.; Duperrex, P.A.; Fonck, R.J.; Gammel, G.M.; Greene, G.J.; Jiang, T.W.; Levinton, F.M.; Powell, E.T.; Roberts, D.W.; Qin, Y.

    1993-06-01

    High-frequency pressure-driven modes have been observed in high-poloidal-{beta} discharges in the Princeton Beta Experiment-Modification (PBX-M). These modes are excited in a non-axisymmetric equilibrium characterized by a large, low frequency m{sub 1}=1/n{sub 1}=1 island, and they are capable of expelling fast ions. The modes reside on or very close to the q=1 surface, and have mode numbers with either m{sub h}=n{sub h} or (less probably) m{sub h}/n{sub h}=m{sub h}/(m{sub h}-1), with m{sub h} varying between 3 and 10. Occasionally, these modes are, simultaneously localized in the vicinity of the m{sub 1}=2/n{sub 1}=1 island. The high frequency modes near the q=1 surface also exhibit a ballooning character, being significantly stronger on the large major radius side of the plasma. When a large m{sub 1}=1/n{sub 1}=1 island is present the mode is poloidally localized in the immediate vicinity of the x-point of the island. The modes, which occur exclusively in high-{beta} discharges, appear to be driven by the plasma pressure or pressure gradient. They can thus be a manifestation of either a toroidicity-induced shear Alfven eigenmode (TAE) at q=(2m{sub h}+ 1)/2n{sub h}, a kinetic ballooning mode (KBM), or some other type of pressure-driven mode. Theory predicts that the TAE mode is a gap mode, but the high frequency modes in PBX-M are found exclusively on or in the immediate neighborhood of magnetic surfaces with low rational numbers.

  6. Molecular characterization and phylogenetic relationships among microsporidian isolates infecting silkworm, Bombyx mori using small subunit rRNA (SSU-rRNA) gene sequence analysis.

    PubMed

    Nath, B Surendra; Gupta, S K; Bajpai, A K

    2012-12-01

    The life cycle, spore morphology, pathogenicity, tissue specificity, mode of transmission and small subunit rRNA (SSU-rRNA) gene sequence analysis of the five new microsporidian isolates viz., NIWB-11bp, NIWB-12n, NIWB-13md, NIWB-14b and NIWB-15mb identified from the silkworm, Bombyx mori have been studied along with type species, NIK-1s_mys. The life cycle of the microsporidians identified exhibited the sequential developmental cycles that are similar to the general developmental cycle of the genus, Nosema. The spores showed considerable variations in their shape, length and width. The pathogenicity observed was dose-dependent and differed from each of the microsporidian isolates; the NIWB-15mb was found to be more virulent than other isolates. All of the microsporidians were found to infect most of the tissues examined and showed gonadal infection and transovarial transmission in the infected silkworms. SSU-rRNA sequence based phylogenetic tree placed NIWB-14b, NIWB-12n and NIWB-11bp in a separate branch along with other Nosema species and Nosema bombycis; while NIWB-15mb and NIWB-13md together formed another cluster along with other Nosema species. NIK-1s_mys revealed a signature sequence similar to standard type species, N. bombycis, indicating that NIK-1s_mys is similar to N. bombycis. Based on phylogenetic relationships, branch length information based on genetic distance and nucleotide differences, we conclude that the microsporidian isolates identified are distinctly different from the other known species and belonging to the genus, Nosema. This SSU-rRNA gene sequence analysis method is found to be more useful approach in detecting different and closely related microsporidians of this economically important domestic insect. PMID:23129193

  7. Thermal and fast neutron detection in chemical vapor deposition single-crystal diamond detectors

    NASA Astrophysics Data System (ADS)

    Almaviva, S.; Marinelli, M.; Milani, E.; Prestopino, G.; Tucciarone, A.; Verona, C.; Verona-Rinati, G.; Angelone, M.; Lattanzi, D.; Pillon, M.; Montereali, R. M.; Vincenti, M. A.

    2008-03-01

    Recently, a compact solid-state neutron detector capable of simultaneously detecting thermal and fast neutrons was proposed [M. Marinelli et al., Appl. Phys. Lett. 89, 143509 (2006)]. Its design is based on a p-type/intrinsic/metal layered structure obtained by Microwave Plasma Chemical Vapor Deposition (CVD) of homoepitaxial diamond followed by thermal evaporation of an Al contact and a L6iF converting layer. Fast neutrons are directly detected in the CVD diamond bulk, since they have enough energy to produce the C12(n,α)B9e reaction in diamond. Thermal neutrons are instead converted into charged particles in the L6iF layer through the L6i(n ,α)T nuclear reaction. These charged particles are then detected in the diamond layer. The thickness of the L6iF converting layer and the CVD diamond sensing layer affect the counting efficiency and energy resolution of the detector both for low- (thermal) and high-energy neutrons. An analysis is carried out on the dynamics of the L6i(n ,α)T and the C12(n,α)B9e reactions products, and the distribution of the energy released inside the sensitive layer is calculated. The detector counting efficiency and energy resolution were accordingly derived as a function of the thickness of the L6iF and CVD diamond layers, both for thermal and fast neutrons, thus allowing us to choose the optimum detector design for any particular application. Comparison with experimental results is also reported.

  8. Quantification of chromatographic effects of vitamin B supplementation in urine and implications for hydration assessment.

    PubMed

    Kenefick, Robert W; Heavens, K R; Dennis, W E; Caruso, E M; Guerriere, K I; Charkoudian, N; Cheuvront, S N

    2015-07-15

    Changes in body water elicit reflex adjustments at the kidney, thus maintaining fluid volume homeostasis. These renal adjustments change the concentration and color of urine, variables that can, in turn, be used as biomarkers of hydration status. It has been suggested that vitamin supplementation alters urine color; it is unclear whether any such alteration would confound hydration assessment via colorimetric evaluation. We tested the hypothesis that overnight vitamin B2 and/or B12 supplementation alters urine color as a marker of hydration status. Thirty healthy volunteers were monitored during a 3-day euhydrated baseline, confirmed via first morning nude body mass, urine specific gravity, and urine osmolality. Volunteers then randomly received B2 (n = 10), B12 (n = 10), or B2 + B12 (n = 10) at ∼200 × recommended dietary allowance. Euhydration was verified on trial days (two of the following: body mass ± 1.0% of the mean of visits 1-3, urine specific gravity < 1.02, urine osmolality < 700 mmol/kg). Vitamin purity and urinary B2 concentration ([B2]) and [B12] were quantified via ultraperformance liquid chromatography. Two independent observers assessed urine color using an eight-point standardized color chart. Following supplementation, urinary [B2] was elevated; however, urine color was not different between nonsupplemented and supplemented trials. For example, in the B2 trial, urinary [B2] increased from 8.6 × 10(4) ± 7.7 × 10(4) to 5.7 × 10(6) ± 5.3 × 10(6) nmol/l (P < 0.05), and urine color went from 4 ± 1 to 5 ± 1 (P > 0.05). Both conditions met the euhydrated color classification. We conclude that a large overnight dose of vitamins B2 and B12 does not confound assessment of euhydrated status via urine color. PMID:25977447

  9. Exchange coupling transformations in Cu (II) heterospin complexes of “breathing crystals” under structural phase transitions

    SciTech Connect

    Morozov, Vitaly A.; Petrova, Marina V.; Lukzen, Nikita N.

    2015-08-15

    Family of “breathing crystals” is the polymer-chain complexes of Cu(hfac){sub 2} with nitroxides. The polymer chains consist of one-, two- or three-spin clusters. The “breathing crystals” experience simultaneous magnetic and Jahn-Teller type structural phase transitions with change of total cluster spin and drastic change of bond lengths (ca. 10-12%). For the first time the intra-cluster magnetic couplings in ”breathing crystals” have been calculated both by band structure methods GGA + U and hybrid DFT (B3LYP and PBE0) for the isolated exchange clusters. The temperature dependence of the magnetic coupling constant was calculated for two polymer-chain compounds of the “breathing crystal” family - C{sub 21}H{sub 19}CuF{sub 12}N{sub 4}O{sub 6} with the chains containing two-spin clusters and C{sub 22}H{sub 21}CuF{sub 12}N{sub 4}O{sub 6} with the chains of alternating three-spin clusters and one-spin sites. It was found that adding a Hubbard-like parameter not only to the copper 3d electrons but also to the oxygen 2p electrons (GGA + U{sub d} + U{sub p} approach) results in an improved description of exchange coupling in the “breathing crystal” compounds. At the same time treatment of the isolated clusters by a large basis hybrid DFT with high computational cost provides a similar quality fit of the experimental magneto-chemical data as that for the GGA + U{sub d} + U{sub p} band structure calculation scheme. Our calculations also showed that in spite of the abrupt transformation of the magnetic coupling constant under the phase transition, the band gap in the “breathing crystals” remains about the same value with temperature decrease.

  10. Calcium Induced Regulation of Skeletal Troponin — Computational Insights from Molecular Dynamics Simulations

    PubMed Central

    Genchev, Georgi Z.; Kobayashi, Tomoyoshi; Lu, Hui

    2013-01-01

    The interaction between calcium and the regulatory site(s) of striated muscle regulatory protein troponin switches on and off muscle contraction. In skeletal troponin binding of calcium to sites I and II of the TnC subunit results in a set of structural changes in the troponin complex, displaces tropomyosin along the actin filament and allows myosin-actin interaction to produce mechanical force. In this study, we used molecular dynamics simulations to characterize the calcium dependent dynamics of the fast skeletal troponin molecule and its TnC subunit in the calcium saturated and depleted states. We focused on the N-lobe and on describing the atomic level events that take place subsequent to removal of the calcium ion from the regulatory sites I and II. A main structural event - a closure of the A/B helix hydrophobic pocket results from the integrated effect of the following conformational changes: the breakage of H-bond interactions between the backbone nitrogen atoms of the residues at positions 2, 9 and sidechain oxygen atoms of the residue at position 12 (N2-OE12/N9-OE12) in sites I and II; expansion of sites I and II and increased site II N-terminal end-segment flexibility; strengthening of the β-sheet scaffold; and the subsequent re-packing of the N-lobe hydrophobic residues. Additionally, the calcium release allows the N-lobe to rotate relative to the rest of the Tn molecule. Based on the findings presented herein we propose a novel model of skeletal thin filament regulation. PMID:23554884

  11. Microbial community in the potential gas hydrate area Kaoping Canyon bearing sediment at offshore SW Taiwan

    NASA Astrophysics Data System (ADS)

    Wu, S. Y.; Hung, C. C.; Lai, S. J.; Ding, J. Y.; Lai, M. C.

    2015-12-01

    The deep sub-seafloor biosphere is among the least-understood habitats on Earth, even though the huge microbial biomass plays a potentially important role in long-term controls of global biogeochemical cycles. The research team from Taiwan, supported by the Central Geological Survey (CGS), has been demonstrated at SW offshore Taiwan that indicated this area is potential gas hydrate region. Therefore, the Gas Hydrate Master Program (GHMP) was brought in the National Energy Program-Phase II (NEP-II) to continue research and development. In this study, the microbial community structure of potential gas hydrate bearing sediments of giant piston core MD-178-10-3291 (KP12N) from the Kaoping Canyon offshore SW of Taiwan were investigated. This core was found many empty spaces and filling huge methane gas (>99.9 %) that might dissociate from solid gas hydrate. 16S rRNA gene clone libraries and phylogenetic analysis showed that the dominant members of Archaea were ANME (13 %), SAGMEG (31 %) and DSAG (20 %), and those of Bacteria were Chloroflexi (13 %), Candidate division JS1 (40 %) and Planctomycetes (15 %). Among them, ANME-3 is only distributed at the sulfate-methane interface (SMI) of 750 cmbsf, and sharing similarity with the Hydrate Ridge clone HydBeg92. ANME-1 and SAGMEG distributed below 750 cmbsf. In addition, DSAG and Candidate division JS1 are most dominant and distributed vertically at all tested depths from 150-3600 cmbsf. Combine the geochemical data and microbial phylotype distribution suggests the potential of gas hydrate bearing sediments at core MD-178-10-3291 (KP12N) from the Kaoping Canyon offshore SW of Taiwan.

  12. Heme oxygenase-1 dependant pathway contributes to protection by tetramethylpyrazine against chronic hypoxic injury on medulla oblongata in rats.

    PubMed

    Ding, Yan; Hou, Xuefei; Chen, Li; Zhou, Hua; Gong, Yanju; Dai, Liqun; Zheng, Yu

    2016-02-15

    Tetramethylpyrazine (TMP), one of the active ingredients of the Chinese herb Lingusticum Wallichii (Chuan Xiong) has been proved to protect the medulla oblongata from chronic hypoxia injury. However, the underlying mechanism remains unclear. The purpose of this study was to determine whether the protective effects of TMP are associated with the heme oxygenase-1 (HO-1) dependant pathway in adult rats. The morphological changes of neurons in the hypoglossal nucleus (12N), the nucleus ambiguus (Amb), the nucleus tractus solitarius (NTS), and the pre-Bötzinger complex (pre-BötC) were investigated by Nissl staining; the malondialdehyde (MDA) content and superoxide dismutase (SOD) activity were measured to evaluate the anti-oxidant effect; some apoptosis parameters, Bax mRNA and Bcl-2 mRNA, were tested; and the double immunochemistry staining of active caspase-3/NeuN was performed. Meanwhile, the HO-1 protein expression and heme oxygenase (HO) activity were examined. Tin-protoporphyrin (SnPP), a potent inhibitor of HO, was used to further confirm the effect of HO-1. We found that TMP ameliorated the neuron loss in 12N, Amb and NTS, the decrease in SOD activity and the increase in MDA content, the decrease in Bcl-2 mRNA of medulla oblongata (P<0.05), and the increase in percentage of apoptotic neurons in Amb (P<0.05) induced by chronic hypoxia. Co-administration with SnPP abolished the beneficial effects above of TMP to some extent (P<0.05). Moreover, TMP significantly increased HO activity and HO-1 protein expression, which was most likely enhanced in the neurons (P<0.05), and co-administration of SnPP reduced these up-regulated effects (P<0.05). This study demonstrated that HO-1 dependant pathway may be involved in the protective action of TMP against chronic hypoxic damage on medulla oblongata in the rats. PMID:26810525

  13. Structural characterization of two benzene-1,2-di-amine complexes of zinc chloride: a mol-ecular compound and a co-crystal salt.

    PubMed

    Zick, Patricia L; Geiger, David K

    2016-07-01

    The structures of two zinc complexes containing bidentate benzene-1,2-di-amine ligands are reported. (Benzene-1,2-di-amine-κ(2) N,N')di-chloro-idozinc, [ZnCl2(C6H8N2)], (I), displays a distorted tetra-hedral coordination sphere for the metal cation. The di-amine ligand and the Zn atom reside on a crystallographic mirror plane. In the 1:1 co-crystal salt trans-di-aqua-bis-(4,5-di-methyl-benzene-1,2-di-amine-κ(2) N,N')zinc chloride-4,5-di-methyl-benzene-1,2-di-amine (1/1), [Zn(C8H12N2)2(H2O)2]Cl2·2C8H12N2, (II), the zinc(II) complex cation exhibits a tetra-gonally distorted octa-hedral coordination sphere. The Zn atom sits on a crystallographically imposed inversion center and the di-amine ligands are tilted 30.63 (6)° with respect to the ZnN4 plane. Both complexes exhibit extensive hydrogen bonding. In (I), a stacked-sheet extended structure parallel to (101) is observed. In (II), the co-crystallized di-amine is hydrogen-bonded to the complex cation via O-H⋯N and N-H⋯N linkages. These units are in turn linked into planes along (200) by O-H⋯Cl and N-H⋯Cl hydrogen bonds. PMID:27555958

  14. Alteration of tropomyosin-binding properties of tropomodulin-1 affects its capping ability and localization in skeletal myocytes.

    PubMed

    Moroz, Natalia A; Novak, Stefanie M; Azevedo, Ricardo; Colpan, Mert; Uversky, Vladimir N; Gregorio, Carol C; Kostyukova, Alla S

    2013-02-15

    Tropomodulin (Tmod) is an actin-capping protein that binds to the two tropomyosins (TM) at the pointed end of the actin filament to prevent further actin polymerization and depolymerization. Therefore, understanding the role of Tmod is very important when studying actin filament dependent processes such as muscle contraction and intracellular transport. The capping ability of Tmod is highly influenced by TM and is 1000-fold greater in the presence of TM. There are four Tmod isoforms (Tmod1-4), three of which, Tmod1, Tmod3, and Tmod4, are expressed in skeletal muscles. The affinity of Tmod1 to skeletal striated TM (stTM) is higher than that of Tmod3 and Tmod4 to stTM. In this study, we tested mutations in the TM-binding sites of Tmod1, using circular dichroism (CD) and prediction analysis (PONDR). The mutations R11K, D12N, and Q144K were chosen because they decreased the affinity of Tmod1 to stTM, making it similar to that of affinity of Tmod3 and Tmod4 to stTM. Significant reduction of inhibition of actin pointed-end polymerization in the presence of stTM was shown for Tmod1 (R11K/D12N/Q144K) as compared with WT Tmod1. When GFP-Tmod1 and mutants were expressed in primary chicken skeletal myocytes, decreased assembly of Tmod1 mutants was revealed. This indicates a direct correlation between TM-binding and the actin-capping abilities of Tmod. Our data confirmed the hypothesis that assembly of Tmod at the pointed-end of the actin filament depends on its TM-binding affinity. PMID:23271735

  15. Alteration of Tropomyosin-binding Properties of Tropomodulin-1 Affects Its Capping Ability and Localization in Skeletal Myocytes*

    PubMed Central

    Moroz, Natalia A.; Novak, Stefanie M.; Azevedo, Ricardo; Colpan, Mert; Uversky, Vladimir N.; Gregorio, Carol C.; Kostyukova, Alla S.

    2013-01-01

    Tropomodulin (Tmod) is an actin-capping protein that binds to the two tropomyosins (TM) at the pointed end of the actin filament to prevent further actin polymerization and depolymerization. Therefore, understanding the role of Tmod is very important when studying actin filament dependent processes such as muscle contraction and intracellular transport. The capping ability of Tmod is highly influenced by TM and is 1000-fold greater in the presence of TM. There are four Tmod isoforms (Tmod1–4), three of which, Tmod1, Tmod3, and Tmod4, are expressed in skeletal muscles. The affinity of Tmod1 to skeletal striated TM (stTM) is higher than that of Tmod3 and Tmod4 to stTM. In this study, we tested mutations in the TM-binding sites of Tmod1, using circular dichroism (CD) and prediction analysis (PONDR). The mutations R11K, D12N, and Q144K were chosen because they decreased the affinity of Tmod1 to stTM, making it similar to that of affinity of Tmod3 and Tmod4 to stTM. Significant reduction of inhibition of actin pointed-end polymerization in the presence of stTM was shown for Tmod1 (R11K/D12N/Q144K) as compared with WT Tmod1. When GFP-Tmod1 and mutants were expressed in primary chicken skeletal myocytes, decreased assembly of Tmod1 mutants was revealed. This indicates a direct correlation between TM-binding and the actin-capping abilities of Tmod. Our data confirmed the hypothesis that assembly of Tmod at the pointed-end of the actin filament depends on its TM-binding affinity. PMID:23271735

  16. Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents.

    PubMed

    Ewing, S J; Vaqueiro, P

    2015-01-28

    The synthesis and characterization of five new indium selenides, [C9H17N2]3[In5Se(8+x)(Se2)(1-x)] (1-2), [C6H12N2]4[C6H14N2]3[In10Se15(Se2)3] (3), [C6H14N2][(C6H12N2)2NaIn5Se9] (4) and [enH2][NH4][In7Se12] (5), are described. These materials were prepared under solvothermal conditions, using 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,4-diazabicyclo[2.2.2]octane (DABCO) as structure-directing agents. Compounds 1-4 represent the first examples of ribbons in indium selenides, and 4 is the first example of incorporation of an alkali metal complex. Compounds 1, 2 and 4 contain closely related [In5Se(8+x)(Se2)(1-x)](3-) ribbons which differ only in their content of (Se2)(2-) anions. These ribbons are interspaced by organic countercations in 1 and 2, while in 4 they are linked by highly unusual [Na(DABCO)2](+) units into a three-dimensional framework. Compound 3 contains complex ribbons, with a long repeating sequence of ca. 36 Å, and 4 is a non-centrosymmetric three-dimensional framework, formed as a consequence of the decomposition of DABCO into ethylenediamine (en) and ammonia. PMID:25426726

  17. Molecular mechanics approach for design and conformational studies of macrocyclic ligands

    NASA Astrophysics Data System (ADS)

    Rohini, Akbar, Rifat; Kanungo, B. K.

    2015-08-01

    Computational Chemistry has revolutionized way of viewing molecules at the quantum mechanical scale by allowing simulating various chemical scenarios that are not possible to study in a laboratory. The remarkable applications of computational chemistry have promoted to design and test of the effectiveness of various methods for searching the conformational space of highly flexible molecules. In this context, we conducted a series of optimization and conformational searches on macrocyclic based ligands, 9N3Me5Ox, (1,4,7-tris(5-methyl-8-hydroxyquinoline)-1,4,7-triazacyclononane) and 12N3Me5Ox, (1,5,9-tris(5-methyl-8-hydroxyquinoline)-1,5,9-triazacyclododecane) and studied their selectivity and coordination behavior with some lanthanide metal ions in molecular mechanics and semiempirical methods. The methods include both systematic and random conformational searches for dihedral angles, torsion angles and Cartesian coordinates. Structural studies were carried out by using geometry optimization, coordination scans and electronic properties were evaluated. The results clearly show that chair-boat conformational isomer of 9N3Me5Ox ligand is more stable due to lower eclipsing ethane interaction and form stronger adduct complexes with lanthanide metal ion. This is because of the fact that, in a central unit of 9N3 of the ligand form six endo type bonds out of nine. The rest of bonds have trans conformation. In contrast, for the adduct of 12N3Me5Ox, two C-C bonds have on eclipsed conformation, and others have synclinal and antiperiplanar confirmations. The distortion of the two eclipsed conformations may affect the yields and the stability of the complexes.

  18. A TNM Staging System for Nasal NK/T-Cell Lymphoma

    PubMed Central

    Yan, Zheng; Huang, Hui-qiang; Wang, Xiao-xiao; Gao, Yan; Zhang, Yu-jing; Bai, Bing; Zhao, Wei; Jiang, Wen-qi; Li, Zhi-ming; Xia, Zhong-jun; Lin, Su-xia; Xie, Chuan-miao

    2015-01-01

    Ann Arbor stage has limited utility in the prognostication and treatment decision making in patients with NK/T-cell lymphoma (NKTCL), as NKTCL is almost exclusively extranodal and the majority is localized at presentation for which radiotherapy is the most important treatment and local invasiveness is the most important prognostic factor. In this study, we attempted to establish a TNM (Tumor-Node-Metastasis) staging system for nasal NKTCL (N-NKTCL). The staging rules of other head and neck cancers were used as reference along with the data of our 271 eligible patients. The primary tumor was classified into T1 to T4, and cervical lymph node metastasis was classified into N0 to N2 according to the extent of involvement. Any lesions outside the head and neck were classified as M1. N-NKTCL thereby was classified into four stages: stage I comprised T1-2N0M0; stage II comprised T1-2N1M0 and T3N0M0; stage III comprised T3N1M0, T1-3N2M0, and T4N0-2M0; and stage IV comprised TanyNanyM1. This staging system showed excellent performance in prognosticating survival. In the current series, the 5-year survival rates of patients with stages I, II, III, and IV N-NKTCL were 92%, 64%, 23%, and 0, respectively. Moreover, the predictive value of several currently used factors was abrogated in the presence of the TNM stage. The TNM staging system is highly effective in stratifying tumor burden and survival risk, which may have significant implications in the treatment decision making for patients with N-NKTCL. PMID:26098892

  19. The High Cost of HIV-Positive Inpatient Care at an Urban Hospital in Johannesburg, South Africa

    PubMed Central

    Long, Lawrence C.; Fox, Matthew P.; Sauls, Celeste; Evans, Denise; Sanne, Ian; Rosen, Sydney B.

    2016-01-01

    Background While most HIV care is provided on an outpatient basis, hospitals continue to treat serious HIV-related admissions, which is relatively resource-intensive and expensive. This study reports the primary reasons for HIV-related admission at a regional, urban hospital in Johannesburg, South Africa and estimates the associated lengths of stay and costs. Methods and Findings A retrospective cohort study of adult, medical admissions was conducted. Each admission was assigned a reason for admission and an outcome. The length of stay was calculated for all patients (N = 1,041) and for HIV-positive patients (n = 469), actual utilization and associated costs were also estimated. Just under half were known to be HIV-positive admissions. Deaths and transfers were proportionately higher amongst HIV-positive admissions compared to HIV-negative and unknown. The three most common reasons for admission were tuberculosis and other mycobacterial infections (18%, n = 187), cardiovascular disorders (12%, n = 127) and bacterial infections (12%, n = 121). The study sample utilized a total of 7,733 bed days of those, 55% (4,259/7,733) were for HIV-positive patients. The average cost per admission amongst confirmed HIV-positive patients, which was an average of 9.3 days in length, was $1,783 (United States Dollars). Conclusions Even in the era of large-scale antiretroviral treatment, inpatient facilities in South Africa shoulder a significant HIV burden. The majority of this burden is related to patients not on ART (298/469, 64%), and accounts for more than half of all inpatient resources. Reducing the costs of inpatient care is thus another important benefit of expanding access to ART, promoting earlier ART initiation, and achieving rates of ART retention and adherence. PMID:26885977

  20. One Decade Later: Trends and Disparities in the Application of Post-Mastectomy Radiotherapy Since the Release of the American Society of Clinical Oncology Clinical Practice Guidelines

    SciTech Connect

    Dragun, Anthony E.; Huang, Bin; Gupta, Saurabh; Crew, John B.; Tucker, Thomas C.

    2012-08-01

    Purpose: In 2001 ASCO published practice guidelines for post mastectomy radiotherapy (PMRT). We analyzed factors that influence the receipt of radiotherapy therapy and trends over time. Methods and Materials: We analyzed 8889 women who underwent mastectomy as primary surgical treatment for stage II or III breast cancer between 1995 and 2008 using data from the Kentucky Cancer Registry. We categorized patients according to ASCO group: group 1, PMRT not routinely recommended (T2, N0); group 2, PMRT controversial/evidence insufficient (T1-2, N1); group 3, PMRT recommended or suggested (T3-4 or N2-3). Probability of receiving PMRT was assessed using logistic regression. Results: Overall, 24.0% of women received PMRT over the study period. The rates of PMRT for group 1, 2, and 3 were 7.5%, 19.5%, and 47.3%, respectively. Since 2001, there was an increase in the use of PMRT (from 21.1%-26.5%, P<.0001), which occurred mainly among group 3 members (from 40.8%-51.2%, P<.0001). The average rate remained constant in group 1 (from 7.1%-7.4%, P=.266) and decreased in group 2 (from 20.0%-18.1%, P<.0001). On multivariate analysis, the rate of PMRT was significantly lower for women aged >70 years (vs. younger), rural Appalachia (vs. non-Appalachia) populations, and Medicaid (vs. privately insured) patients. Conclusions: ASCO guidelines have influenced practice in an underserved state; however PMRT remains underused, even for highest-risk patients. Barriers exist for elderly, rural and poor patients, which independently predict for lack of adequate care. Updated guidelines are needed to clarify the use of PMRT for patients with T1-2, N1 disease.

  1. A new organically-templated cobalt borophosphate with a novel borophosphatic anionic partial structure

    SciTech Connect

    Liu Wei; Guo Xiangqin; Su Ge; Cao Lixin; Wang Yonggang; Duan Jingrui

    2011-09-15

    A novel cobalt borophosphate, (NH{sub 4}){sub 2}(C{sub 4}H{sub 12}N{sub 2})[Co{sub 2}B{sub 4}P{sub 6}O{sub 24}(OH){sub 2}].H{sub 2}O with the mixed cations has been synthesized under mild hydrothermal conditions. Its crystal structure was determined by the single-crystal X-ray diffraction (tetragonal, I4{sub 1}/a (no. 88), a=14.207(3) A, c=24.956(6) A, V=5037.09(2) A{sup 3}, Z=8). The crystal structure consists of a new type of three-dimensional borophosphatic anionic partial framework, which is built from the condensation of the fundamental building unit (FBU) [B{sub 2}P{sub 3}O{sub 14}(OH)]. The CoO{sub 6} octahedra are enchased in such borophosphate network to form a complex open framework with a three-dimensional intersecting channel system, the voids of which are occupied by ammonium, dipronated piperazine ions and water molecules, respectively. The magnetic measurement of the title compound has also been investigated. - Graphical abstract: A new organically-templated cobalt borophosphate, (NH{sub 4}){sub 2}(C{sub 4}H{sub 12}N{sub 2})[Co{sub 2}B{sub 4}P{sub 6}O{sub 24}(OH){sub 2}].H{sub 2}O with a novel borophosphate 3D anionic partial framework has been synthesized under mild hydrothermal conditions. Highlights: > The first cobalt borophosphate with the 3D anionic partial borophosphate network. > A porous framework with an intersecting three-dimensional channel system. > The borophosphate compound with the mixed cations.

  2. Seasonal Patterns of Soil Respiration and Related Soil Biochemical Properties under Nitrogen Addition in Winter Wheat Field

    PubMed Central

    Liang, Guopeng; Houssou, Albert A.; Wu, Huijun; Cai, Dianxiong; Wu, Xueping; Gao, Lili; Li, Jing; Wang, Bisheng; Li, Shengping

    2015-01-01

    Understanding the changes of soil respiration under increasing N fertilizer in cropland ecosystems is crucial to accurately predicting global warming. This study explored seasonal variations of soil respiration and its controlling biochemical properties under a gradient of Nitrogen addition during two consecutive winter wheat growing seasons (2013–2015). N was applied at four different levels: 0, 120, 180 and 240 kg N ha-1 year-1 (denoted as N0, N12, N18 and N24, respectively). Soil respiration exhibited significant seasonal variation and was significantly affected by soil temperature with Q10 ranging from 2.04 to 2.46 and from 1.49 to 1.53 during 2013–2014 and 2014–2015 winter wheat growing season, respectively. Soil moisture had no significant effect on soil respiration during 2013–2014 winter wheat growing season but showed a significant and negative correlation with soil respiration during 2014–2015 winter wheat growing season. Soil respiration under N24 treatment was significantly higher than N0 treatment. Averaged over the two growing seasons, N12, N18 and N24 significantly increased soil respiration by 13.4, 16.4 and 25.4% compared with N0, respectively. N addition also significantly increased easily extractable glomalin-related soil protein (EEG), soil organic carbon (SOC), total N, ammonium N and nitrate N contents. In addition, soil respiration was significantly and positively correlated with β-glucosidase activity, EEG, SOC, total N, ammonium N and nitrate N contents. The results indicated that high N fertilization improved soil chemical properties, but significantly increased soil respiration. PMID:26629695

  3. Dynamic Assessment of Mitral Annular Force Profile in an Ovine Model

    PubMed Central

    Siefert, Andrew W.; Jimenez, Jorge H.; Koomalsingh, Kevin J.; West, Dustin S.; Aguel, Fernando; Shuto, Takashi; Gorman, Robert C.; Gorman, Joseph H.; Yoganathan, Ajit P.

    2013-01-01

    Background Limited knowledge exists regarding the forces that act on devices implanted in the mitral annulus. Determining the peak magnitudes, directions, rates, variation throughout the cardiac cycle, and change with left ventricular pressure (LVP) will aid in device development and evaluation. Methods Novel transducers with the ability to measure forces in the septal-lateral and transverse directions were implanted in six healthy ovine subjects. Forces were measured for cardiac cycles reaching a peak LVP of 90, 125, 150, 175, and 200 mm Hg. Results The septal-lateral force was observed to significantly increase from 3.9 ± 0.8 N (90) to 5.2 ± 1.0 N (125) p < 0.001, 5.9 ± 0.9 N (150) p < 0.001, 6.4 ± 1.2 N (175) p < 0.001, and 6.7 ± 1.5 N (200 mm Hg) p < 0.001. Similarly, the transverse force was seen to increase from 2.6 ± 0.6 N (90) to 3.8 ± 1.0 N (125) p < 0.01, 4.6 ± 1.3 N (150) p < 0.001, 4.3 ± 1.2 N (175) p < 0.001, and 3.5 ± 0.7 N (200 mm Hg) p < 0.05. In comparison, the septal-lateral force was significantly greater than the transverse force at 90 (p < 0.05), 125 (p < 0.05), 175 (p < 0.001), and 200 mm Hg (p < 0.0005). Conclusions Annular forces and their variations with LVP through the cardiac cycle are described. The results demonstrate differences in force magnitude and rate for increasing levels of LVP between the septal-lateral and transverse directions. These directional differences have strong implications in the development of future mitral devices. PMID:22588012

  4. Structural characterization of two benzene-1,2-di­amine complexes of zinc chloride: a mol­ecular compound and a co-crystal salt

    PubMed Central

    Zick, Patricia L.; Geiger, David K.

    2016-01-01

    The structures of two zinc complexes containing bidentate benzene-1,2-di­amine ligands are reported. (Benzene-1,2-di­amine-κ2 N,N′)di­chloro­idozinc, [ZnCl2(C6H8N2)], (I), displays a distorted tetra­hedral coordination sphere for the metal cation. The di­amine ligand and the Zn atom reside on a crystallographic mirror plane. In the 1:1 co-crystal salt trans-di­aqua­bis­(4,5-di­methyl­benzene-1,2-di­amine-κ2 N,N′)zinc chloride–4,5-di­methyl­benzene-1,2-di­amine (1/1), [Zn(C8H12N2)2(H2O)2]Cl2·2C8H12N2, (II), the zinc(II) complex cation exhibits a tetra­gonally distorted octa­hedral coordination sphere. The Zn atom sits on a crystallographically imposed inversion center and the di­amine ligands are tilted 30.63 (6)° with respect to the ZnN4 plane. Both complexes exhibit extensive hydrogen bonding. In (I), a stacked-sheet extended structure parallel to (101) is observed. In (II), the co-crystallized di­amine is hydrogen-bonded to the complex cation via O—H⋯N and N—H⋯N linkages. These units are in turn linked into planes along (200) by O—H⋯Cl and N—H⋯Cl hydrogen bonds. PMID:27555958

  5. Solvent free synthesis, crystal studies, docking studies and antibacterial properties of some novel fluorinated pyridazinone derivatives

    NASA Astrophysics Data System (ADS)

    Sowmya, H. B. V.; Suresha Kumara, T. H.; Nagendrappa, G.; Jasinski, Jerry P.; Millikan, Sean P.; Jose, Gilish; R, Dileep; Sujan Ganapathy, P. S.

    2013-12-01

    The solvent free synthesis of six 6-(3,5-difluorophenyl)-4,5-dihydropyridazin-3(2H)-one derivatives was carried out by microwave irradiation of a pulverized mixture of 4-(3,5-difluorophenyl)-4-oxobutanoic acid and substituted hydrazine hydrochloride in presence of catalytic amount of acetic acid at 150 °C/75 W for 5 min. Single crystals of two derivatives, C16H12N2OF2 [3a] and C16H11N2OF3 [3f] were formed allowing for structural analysis. [C16H12N2OF2]: orthorhombic, Pbcn; a = 17.1583(5) Å, b = 11.3751(3) Å, c = 13.7704(4) Å, V = 2687.67(13) Å3, Z = 8, 173(2) K, μ(Cu Kα) = 0.920 mm-1, Dcalc = 1.415 g/mm3, 16553 reflections, 2651 unique (Rint = 0.0298); R1 = 0.0394 (I > 2σ(I)) and wR2 = 0.1118 (all data). [C16H11N2OF3]: triclinic, P-1, a = 7.4837(4) Å, b = 13.3707(10) Å, c = 13.7194(9) Å, α = 76.622(6)°, β = 88.771(5)°, γ = 81.453(5)°, V = 1320.60(16) Å3, Z = 4, 173(2) K, μ(Cu Kα) = 1.087 mm-1, Dcalc = 1.530 g/mm3, 8522 reflections, 5092 unique (Rint = 0.0277); R1 = 0.0441 (I > 2σ(I)) and wR2 = 0.1289 (all data). Preliminary antibacterial properties and docking studies are described for all the six derivatives.

  6. Density, topography, and regional, tensile stresses: Gravity-driven extension of the northern Basin and range

    SciTech Connect

    Unruh, J.R. )

    1993-04-01

    It has long been recognized that regional topographic gradients may give rise to tectonic (non-lithostatic) stresses in the lithosphere (Artyushkov, 1973). The elevation of a buoyantly-uplifted region represents a balance between these stresses and the strength of the lithosphere. This study uses existing data on crustal and lithospheric structure in the western United States to test the hypothesis that the topographically high (1.5--2.2 km) northern Basin and Range is spreading under it own weight. Following England and Jackson (1989), the total deviatoric tensile force (Fl) in the northern Basin and Range (NBR) due to the regional high topography is the difference between the vertically-integrated lithostatic stress in the NBR and in western California. Using available velocity models for the crust and upper mantle, and empirically-derived velocity-density relationships, calculated values of Fl range between 1--3 [times] 10[sup 12] N/m. Assuming a visco-elastic rheology for the lithosphere, an average heat flow of 90 m W/m[sup 2], and a crustal thickness of 35 km, values of Fl ranging from 1--3 [times] 10[sup 12] N/m may result in horizontal extension rates of approximately 10[sup [minus]15]/s to 10[sup [minus]15]/s to 10[sup [minus]16]/s. This is comparable to the rate of seismically-released strain in the NBR, and to extension rates of 8--9 mm/yr across the region determined from geologic and geodetic data. These results imply that shear tractions on the base of the lithosphere from mantle convection are not necessary to explain NBR extension. In addition to driving active extension, the weight of the topographically high NBR may exert a compressive force on surrounding lowlands. If so, this may account for some of the active shortening in western California, and the state of horizontal compressive stress in the western Great Plains.

  7. A novel approach in distinguishing between role of hydrodynamics and mechanical stresses similar to contraction forces of GI tract on drug release from modified release dosage forms.

    PubMed

    Takieddin, Majde; Fassihi, Reza

    2015-04-01

    The objective of this study was to determine the influence of mechanical stresses simulating gastrointestinal contraction forces of 2.0 N (stomach) and 1.2 N (intestine) on the gel properties and drug release characteristics from sustained release swelling and eroding hydrophilic matrices during dissolution studies. Two batches of tetracycline-sustained release tablets containing hydroxypropyl methyl cellulose (HPMC) were manufactured and subjected to USP apparatus II (pH 2.2 buffer) dissolution studies. Hydrated tablets were periodically removed, placed in a petri dish, and multiple times (six cycle) compressed with a flat-ended probe (diameter 1.3 cm) on a texture analyzer at preprogrammed force of either 2.0 or 1.2 N to determine force-distance profiles and changes in drug release rate. The calculated similarity factor values showed dissimilar dissolution profiles using standard dissolution profile as a reference. The similarity factor (f2) values were especially lower than 50 at 2.0 N and, when profiles between the two batches compressed at 1.2 and 2.0 N, were compared with each other. The changes in dissolution pattern and release rate were significantly different after 4 h of dissolution. At 8 h, tablets were fully hydrated and no force could be detected by the probe, indicating a very soft gel matrix. It appears that the contraction forces in the stomach and intestine are capable of altering drug release from modified release hydrophilic matrices during transit in the human GI tract. Accounting for these forces during dissolution can enhance predictions of in vivo drug release, achieve better in vitro and in vivo correlation, introduce improvement in dissolution methods, and better understand the critical quality attributes (CQAs) and factors in quality by design (QbD) during the product development process. PMID:25273030

  8. On pseudo-Riemannian manifolds with many Killing spinors

    SciTech Connect

    Alekseevsky, D. V.; Cortes, V.

    2009-02-02

    Let M be a pseudo-Riemannian spin manifold of dimension n and signature s and denote by N the rank of the real spinor bundle. We prove that M is locally homogeneous if it admits more than (3/4)N independent Killing spinors with the same Killing number, unless n {identical_to} 1(mod 4) and s {identical_to} 3(mod 4). We also prove that M is locally homogeneous if it admits k{sub +} independent Killing spinors with Killing number {lambda} and k{sub -} independent Killing spinors with Killing number -{lambda} such that k{sub +}+k{sub -}>(3/2)N, unless n {identical_to} s {identical_to} 3(mod 4). Similarly, a pseudo-Riemannian manifold with more than (3/4)N independent conformal Killing spinors is conformally locally homogeneous. For (positive or negative) definite metrics, the bounds (3/4)N and (3/2)N in the above results can be relaxed to (1/2)N and N, respectively. Furthermore, we prove that a pseudo-Riemannnian spin manifold with more than (3/4)N parallel spinors is flat and that (1/4)N parallel spinors suffice if the metric is definite. Similarly, a Riemannnian spin manifold with more than (3/8)N Killing spinors with the Killing number {lambda}(set-membership sign)R has constant curvature 4{lambda}{sup 2}. For Lorentzian or negative definite metrics the same is true with the bound (1/2)N. Finally, we give a classification of (not necessarily complete) Riemannian manifolds admitting Killing spinors, which provides an inductive construction of such manifolds.

  9. Determinants at the N- and C-termini of Gα12 required for activation of Rho-mediated signaling

    PubMed Central

    2013-01-01

    Background Heterotrimeric guanine nucleotide binding proteins of the G12/13 subfamily, which includes the α-subunits Gα12 and Gα13, stimulate the monomeric G protein RhoA through interaction with a distinct subset of Rho-specific guanine nucleotide exchange factors (RhoGEFs). The structural features that mediate interaction between Gα13 and RhoGEFs have been examined in crystallographic studies of the purified complex, whereas a Gα12:RhoGEF complex has not been reported. Several signaling responses and effector interactions appear unique to Gα12 or Gα13, despite their similarity in amino acid sequence. Methods To comprehensively examine Gα12 for regions involved in RhoGEF interaction, we screened a panel of Gα12 cassette substitution mutants for binding to leukemia-associated RhoGEF (LARG) and for activation of serum response element mediated transcription. Results We identified several cassette substitutions that disrupt Gα12 binding to LARG and the related p115RhoGEF. These Gα12 mutants also were impaired in activating serum response element mediated signaling, a Rho-dependent response. Most of these mutants matched corresponding regions of Gα13 reported to contact p115RhoGEF, but unexpectedly, several RhoGEF-uncoupling mutations were found within the N- and C-terminal regions of Gα12. Trypsin protection assays revealed several mutants in these regions as retaining conformational activation. In addition, charge substitutions near the Gα12 N-terminus selectively disrupted binding to LARG but not p115RhoGEF. Conclusions Several structural aspects of the Gα12:RhoGEF interface differ from the reported Gα13:RhoGEF complex, particularly determinants within the C-terminal α5 helix and structurally uncharacterized N-terminus of Gα12. Furthermore, key residues at the Gα12 N-terminus may confer selectivity for LARG as a downstream effector. PMID:23531275

  10. Zn(II) and Cu(II) complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione.

    PubMed

    Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin

    2013-07-01

    A new 1,3,4-oxadiazole-containing bispyridyl ligand, namely 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione (L), has been used to create the novel complexes tetranitratobis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione}zinc(II), [Zn2(NO3)4(C14H12N4OS)2], (I), and catena-poly[[[dinitratocopper(II)]-bis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione}] nitrate acetonitrile sesquisolvate dichloromethane sesquisolvate], {[Cu(NO3)(C14H12N4OS)2]NO3·1.5CH3CN·1.5CH2Cl2}n, (II). Compound (I) presents a distorted rectangular centrosymmetric Zn2L2 ring (dimensions 9.56 × 7.06 Å), where each Zn(II) centre lies in a {ZnN2O4} coordination environment. These binuclear zinc metallocycles are linked into a two-dimensional network through nonclassical C-H···O hydrogen bonds. The resulting sheets lie parallel to the ac plane. Compound (II), which crystallizes as a nonmerohedral twin, is a coordination polymer with double chains of Cu(II) centres linked by bridging L ligands, propagating parallel to the crystallographic a axis. The Cu(II) centres adopt a distorted square-pyramidal CuN4O coordination environment with apical O atoms. The chains in (II) are interlinked via two kinds of π-π stacking interactions along [0-11]. In addition, the structure of (II) contains channels parallel to the crystallographic a direction. The guest components in these channels consist of dichloromethane and acetonitrile solvent molecules and uncoordinated nitrate anions. PMID:23832028

  11. Incoherent time evolution of Rydberg level populations in a Landau-Zener grid

    SciTech Connect

    Price, P.N.; Harmin, D.A.

    1993-05-01

    The time evolution of two intersecting groups of parallel energy levels, E{sub m} ({tau}) = p{tau} - m{epsilon} and E{sub m {prime}({tau}) = p{tau} + m{prime}{epsilon} = 0,1,2,..., p and {epsilon} constants), is considered as a model of state mixing of interacting Rydberg manifolds by a ramped electric field. Each intersection [m,m{prime}] of the triangular grid of level crossings is treated as an isolated 2-level Landau-Zener anticrossing at energy {1/2} (m{prime}-m){epsilon} with probabilities D and A = 1-D for diabatic and adiabatic transitions, respectively (interference effects are ignored here.) Beginning on the upward-going m = 0 level and following successive time steps {tau}{sup N} = {1/2} N{epsilon}/p (N = 0,1,2,...), a path analysis leads to a distribution of probabilities for arriving at an intersection [m,m{prime}] after N = m +m{prime} previous steps via ({sub m}{sup n}) possible paths. The fastest ramp rates (D {r_arrow} 1} evolve purely diabatically, remaining on the m = 0 level with probability D{sup N}; the slowest ramps (A {r_arrow} 1) follow a purely adiabatic path that switches between mid-grid levels m, m{prime} {approx} {1/2}N with probability A{sup N}. For any but the fastest ramps, however, there is a broad single-humped distribution with average energy E{sup (N)}= {1/2} {epsilon} {Sigma}{sub k}{sup N}=1 (D-A){sup k}- population is always concentrated near the center of the interaction region. Its spread in energy grows as N{sup 1/2} at large N but is narrower the larger is A.

  12. Metabolism of parenterally administered fat emulsions in the rat: studies of fatty acid oxidation with 1-13C- and 8-13C-labelled triolein.

    PubMed

    Bäurle, W; Brösicke, H; Matthews, D E; Pogan, K; Fürst, P

    1998-04-01

    To reassess the hypothesis that fatty acid catabolism occurs to completion via beta-oxidation, male Sprague-Dawley rats receiving continuous total parenteral nutrition (TPN) including 43% energy as fat were infused with [1-(13)C]- or [8-(13)C]triolein. Expired CO2 was collected continuously for 4 h and its 13C:12C ratio determined by isotope-ratio mass spectrometry. Bicarbonate retention was also assessed over 4 h by infusion of NaH14CO3 and measurement of the expired 14CO2. A possible loss of label from [8-(13)C]oleic acid from the citric acid cycle via labelled acetyl-CoA without oxidation to CO2 was assessed by infusing further animals with acetate labelled with 14C either at C atoms 1 or 2 and determination of its conversion to expired 14CO2. At isotopic steady state, 63.2 (SE 1.6)% (n 8) of the infused [1-(14)C]acetate and 46.0 (SE 1.2)% (n 8) of [2-(14)C]acetate was recovered as expired 14CO2. After correction for bicarbonate retention and non-oxidative isotope loss, 37.3 (SE 1.2)% (n 20) of the [1-(13)C]triolein was found to have been oxidized, whereas 32.6 (SE 1.0)% (n 20) of the [8-(13)C]triolein was oxidized (P < or = 0.01). The lower oxidation of the C atom at position 8 of oleic acid than that at position 1 indicates incomplete oxidative breakdown of the fatty acid after entering beta-oxidation. PMID:9624230

  13. Molecular mechanics approach for design and conformational studies of macrocyclic ligands

    SciTech Connect

    Rohini,; Akbar, Rifat; Kanungo, B. K.

    2015-08-28

    Computational Chemistry has revolutionized way of viewing molecules at the quantum mechanical scale by allowing simulating various chemical scenarios that are not possible to study in a laboratory. The remarkable applications of computational chemistry have promoted to design and test of the effectiveness of various methods for searching the conformational space of highly flexible molecules. In this context, we conducted a series of optimization and conformational searches on macrocyclic based ligands, 9N3Me5Ox, (1,4,7-tris(5-methyl-8-hydroxyquinoline)-1,4,7-triazacyclononane) and 12N3Me5Ox, (1,5,9-tris(5-methyl-8-hydroxyquinoline)-1,5,9-triazacyclododecane) and studied their selectivity and coordination behavior with some lanthanide metal ions in molecular mechanics and semiempirical methods. The methods include both systematic and random conformational searches for dihedral angles, torsion angles and Cartesian coordinates. Structural studies were carried out by using geometry optimization, coordination scans and electronic properties were evaluated. The results clearly show that chair-boat conformational isomer of 9N3Me5Ox ligand is more stable due to lower eclipsing ethane interaction and form stronger adduct complexes with lanthanide metal ion. This is because of the fact that, in a central unit of 9N3 of the ligand form six endo type bonds out of nine. The rest of bonds have trans conformation. In contrast, for the adduct of 12N3Me5Ox, two C-C bonds have on eclipsed conformation, and others have synclinal and antiperiplanar confirmations. The distortion of the two eclipsed conformations may affect the yields and the stability of the complexes.

  14. Preparation and preclinical evaluation of humanised A33 immunoconjugates for radioimmunotherapy.

    PubMed Central

    King, D. J.; Antoniw, P.; Owens, R. J.; Adair, J. R.; Haines, A. M.; Farnsworth, A. P.; Finney, H.; Lawson, A. D.; Lyons, A.; Baker, T. S.

    1995-01-01

    A humanised IgG1/k version of A33 (hA33) has been constructed and expressed with yields up to 700 mg l-1 in mouse myeloma NS0 cells in suspension culture. The equilibrium dissociation constant of hA33 (KD = 1.3 nM) was shown to be equivalent to that of the murine antibody in a cell-binding assay. hA33 labelled with yttrium-90 using the macrocyclic chelator 12N4 (DOTA) was shown to localise very effectively to human colon tumour xenografts in nude mice, with tumour levels increasing as blood concentration fell up to 144 h. A Fab' variant of hA33 with a single hinge thiol group to facilitate chemical cross-linking has also been constructed and expressed with yields of 500 mg l-1. Trimaleimide cross-linkers have been used to produce a trivalent Fab fragment (hA33 TFM) that binds antigen on tumour cells with greater avidity than hA33 IgG. Cross-linkers incorporating 12N4 or 9N3 macrocycles have been used to produce hA33 TFM labelled stably and site specifically with yttrium-90 or indium-111 respectively. These molecules have been used to demonstrate that hA33 TFM is cleared more rapidly than hA33 IgG from the circulation of animals but does not lead to accumulation of these metallic radionuclides in the kidney. 90Y-labelled hA33 TFM therefore appears to be the optimal form of the antibody for radioimmunotherapy of colorectal carcinoma. Images Figure 3 PMID:8519646

  15. Miocene climate as recorded on slope carbonates : examples from Malta (Central Mediterranean) and Northeastern Australia (Marion Plateau, ODP LEG 194)

    NASA Astrophysics Data System (ADS)

    John, Cédric Michaël

    2003-08-01

    analysis of carbonate content and organic matter geochemical analysis furthermore suggest that the clay-rich intervals are similar to sapropelic deposits. On the Marion Plateau, trends in oxygen and carbon isotopes were obtained by measuring Cibicidoides spp foraminifers. Moreover, carbonate content was reconstructed using a chemical method (coulometer). Results show that the mid Miocene cooling step profoundly affected this system: a major drop in accumulation rates of carbonates occurs precisely at 13.8 Ma, around the time of the East Antarctic ice sheet formation. Moreover, sedimentation changes occurred at that time, carbonate fragments coming from neritic environments becoming less abundant, planktonic foraminifer content increasing and quartz and reworked glauconite being deposited. Conversely, a surprising result is that the major N12-N14 sea-level fall occurring around 11.5 Ma did not impact the accumulation of carbonates on the slope. This was unexpected since carbonate platform are very sensitive to sea-level changes. The model developed to explain that mass accumulation rates of carbonates diminished around 13.6 Ma (Mi3 Event) instead of 11.5 Ma (N12-N14 event), suggests that oceanic currents were controlling slope carbonate deposition on the Marion Plateau prior to the mid-Miocene, and that the mid Miocene event considerably increase their strength, hence reducing the amount of carbonate being deposited on slope sites. Moreover, by combining results from deep-sea oxygen isotopes with sea-level estimates based on coastal onlaps made during Leg 194, we constrain the amplitude of the N12-N14 sea-level fall to 90 meters. When integrating isotopic results from this study, this amplitude is lowered to 70 meters. A general conclusion of this work is that the mid Miocene climatic shift did impact carbonate systems, at least at the two locations studied. However, the nature of this response was highly dependant on the regional settings, in particular the presence of

  16. Study of Nuclear Reactions with 11C and 15O Radioactive Ion Beams

    SciTech Connect

    Lee, Dongwon

    2007-05-14

    Nuclear reaction study with radioactive ion beams is one of the most exciting research topics in modern nuclear physics. The development of radioactive ion beams has allowed nuclear scientists and engineers to explore many unknown exotic nuclei far from the valley of nuclear stability, and to further our understanding of the evolution of the universe. The recently developed radioactive ion beam facility at the Lawrence Berkeley National Laboratory's 88-inch cyclotron is denoted as BEARS and provides {sup 11}C, {sup 14}O and {sup 15}O radioactive ion beams of high quality. These moderate to high intensity, proton-rich radioactive ion beams have been used to explore the properties of unstable nuclei such as {sup 12}N and {sup 15}F. In this work, the proton capture reaction on {sup 11}C has been evaluated via the indirect d({sup 11}C, {sup 12}N)n transfer reaction using the inverse kinematics method coupled with the Asymptotic Normalization Coefficient (ANC) theoretical approach. The total effective {sup 12}N {yields} {sup 11}C+p ANC is found to be (C{sub eff}{sup 12{sub N}}){sup 2} = 1.83 {+-} 0.27 fm{sup -1}. With the high {sup 11}C beam intensity available, our experiment showed excellent agreement with theoretical predictions and previous experimental studies. This study also indirectly confirmed that the {sup 11}C(p,{gamma}) reaction is a key step in producing CNO nuclei in supermassive low-metallicity stars, bypassing the slow triple alpha process. The newly developed {sup 15}O radioactive ion beam at BEARS was used to study the poorly known level widths of {sup 16}F via the p({sup 15}O,{sup 15}O)p reaction. Among the nuclei in the A=16, T=1 isobaric triad, many states in {sup 16}N and {sup 16}O have been well established, but less has been reported on {sup 16}F. Four states of {sup 16}F below 1 MeV have been identified experimentally: 0{sup -}, 1{sup -}, 2{sup -}, and 3{sup -} (E{sub x} = 0.0, 0.19, 0.42, and 0.72 MeV, respectively). Our study utilized R

  17. Design, synthesis, characterization, and OFET properties of amphiphilic heteroleptic tris(phthalocyaninato) europium(III) complexes. The effect of crown ether hydrophilic substituents.

    PubMed

    Gao, Yingning; Ma, Pan; Chen, Yanli; Zhang, Ying; Bian, Yongzhong; Li, Xiyou; Jiang, Jianzhuang; Ma, Changqin

    2009-01-01

    Two amphiphilic heteroleptic tris(phthalocyaninato) europium complexes with hydrophilic crown ether heads and hydrophobic octyloxy tails [Pc(mCn)(4)]Eu[Pc(mCn)(4)]Eu[Pc(OC(8)H(17))(8)] [m = 12, n = 4, H(2)Pc(12C4)(4) = 2,3,9,10,16,17,23,24-tetrakis(12-crown-4)phthalocyanine; m = 18, n = 6, H(2)Pc(18C6)(4) = 2,3,9,10,16,17,23,24-tetrakis(18-crown-6)phthalocyanine; H(2)Pc(OC(8)H(17))(8) = 2,3,9,10,16,17,23,24-octakis(octyloxy)phthalocyanine] (1, 2) were designed and prepared from the reaction between homoleptic bis(phthalocyaninato) europium compound [Pc(mCn)(4)]Eu[Pc(mCn)(4)] (m = 12, n = 4; m = 18, n = 6) and metal-free H(2)Pc(OC(8)H(17))(8) in the presence of Eu(acac)(3).H(2)O (Hacac = acetylacetone) in boiling 1,2,4-trichlorobenzene. These novel sandwich triple-decker complexes were characterized by a wide range of spectroscopic methods and electrochemically studied. With the help of the Langmuir-Blodgett technique, these typical amphiphilic triple-decker complexes were fabricated into organic field effect transistors (OFET) with top contact configuration on bare SiO(2)/Si substrate, hexamethyldisilazane-treated SiO(2)/Si substrate, and octadecyltrichlorosilane (OTS)-treated SiO(2)/Si substrate, respectively. The device performance is revealed to be dependent on the species of crown ether substituents and substrate surface treatment. OFETs fabricated from the triple decker with 12-crown-4 hydrophilic substituents, 1, allow the hole transfer in the direction parallel to the aromatic phthalocyanine rings. In contrast, the devices of a triple-decker compound containing 18-crown-6 as hydrophilic heads, 2, transfer holes in a direction along the long axis of the assembly composed of face-to-face aggregated triple-decker molecules, revealing the effect of molecular structure, specifically the crown ether substituents on the film structure and OFET functional properties. The carrier mobility for hole as high as 0.33 cm(2) V(-1) s(-1) and current modulation of 7.91 x 10

  18. Dose Escalation of Total Marrow Irradiation With Concurrent Chemotherapy in Patients With Advanced Acute Leukemia Undergoing Allogeneic Hematopoietic Cell Transplantation

    SciTech Connect

    Wong, Jeffrey Y.C.; Forman, Stephen; Somlo, George; Liu An; Schultheiss, Timothy; Radany, Eric; Palmer, Joycelynne; Stein, Anthony

    2013-01-01

    Purpose: We have demonstrated that toxicities are acceptable with total marrow irradiation (TMI) at 16 Gy without chemotherapy or TMI at 12 Gy and the reduced intensity regimen of fludarabine/melphalan in patients undergoing hematopoietic cell transplantation (HCT). This article reports results of a study of TMI combined with higher intensity chemotherapy regimens in 2 phase I trials in patients with advanced acute myelogenous leukemia or acute lymphoblastic leukemia (AML/ALL) who would do poorly on standard intent-to-cure HCT regimens. Methods and Materials: Trial 1 consisted of TMI on Days -10 to -6, etoposide (VP16) on Day -5 (60 mg/kg), and cyclophosphamide (CY) on Day -3 (100 mg/kg). TMI dose was 12 (n=3 patients), 13.5 (n=3 patients), and 15 (n=6 patients) Gy at 1.5 Gy twice daily. Trial 2 consisted of busulfan (BU) on Days -12 to -8 (800 {mu}M min), TMI on Days -8 to -4, and VP16 on Day -3 (30 mg/kg). TMI dose was 12 (n=18) and 13.5 (n=2) Gy at 1.5 Gy twice daily. Results: Trial 1 had 12 patients with a median age of 33 years. Six patients had induction failures (IF), and 6 had first relapses (1RL), 9 with leukemia blast involvement of bone marrow ranging from 10%-98%, 5 with circulating blasts (24%-85%), and 2 with chloromas. No dose-limiting toxicities were observed. Eleven patients achieved complete remission at Day 30. With a median follow-up of 14.75 months, 5 patients remained in complete remission from 13.5-37.7 months. Trial 2 had 20 patients with a median age of 41 years. Thirteen patients had IF, and 5 had 1RL, 2 in second relapse, 19 with marrow blasts (3%-100%) and 13 with peripheral blasts (6%-63%). Grade 4 dose-limiting toxicities were seen at 13.5 Gy (stomatitis and hepatotoxicity). Stomatitis was the most frequent toxicity in both trials. Conclusions: TMI dose escalation to 15 Gy is possible when combined with CY/VP16 and is associated with acceptable toxicities and encouraging outcomes. TMI dose escalation is not possible with BU/VP16 due to

  19. High-Sensitivity C-Reactive Protein Complements Plasma Epstein-Barr Virus Deoxyribonucleic Acid Prognostication in Nasopharyngeal Carcinoma: A Large-Scale Retrospective and Prospective Cohort Study

    SciTech Connect

    Tang, Lin-Quan; Li, Chao-Feng; Chen, Qiu-Yan; Zhang, Lu; Lai, Xiao-Ping; He, Yun; Xu, Yun-Xiu-Xiu; Hu, Dong-Peng; Wen, Shi-Hua; Peng, Yu-Tuan; Chen, Wen-Hui; Liu, Huai; Guo, Shan-Shan; Liu, Li-Ting; Li, Jing; Zhang, Jing-Ping; and others

    2015-02-01

    Purpose: To evaluate the effects of combining the assessment of circulating high-sensitivity C-reactive protein (hs-CRP) with that of Epstein-Barr virus DNA (EBV DNA) in the pretherapy prognostication of nasopharyngeal carcinoma (NPC). Patients and Methods: Three independent cohorts of NPC patients (training set of n=3113, internal validation set of n=1556, and prospective validation set of n=1668) were studied. Determinants of disease-free survival, distant metastasis–free survival, and overall survival were assessed by multivariate analysis. Hazard ratios and survival probabilities of the patient groups, segregated by clinical stage (T1-2N0-1M0, T3-4N0-1M0, T1-2N2-3M0, and T3-4N2-3M0) and EBV DNA load (low or high) alone, and also according to hs-CRP level (low or high), were compared. Results: Elevated hs-CRP and EBV DNA levels were significantly correlated with poor disease-free survival, distant metastasis–free survival, and overall survival in both the training and validation sets. Associations were similar and remained significant after excluding patients with cardiovascular disease, diabetes, and chronic hepatitis B. Patients with advanced-stage disease were segregated by high EBV DNA levels and high hs-CRP level into a poorest-risk group, and participants with either high EBV DNA but low hs-CRP level or high hs-CRP but low EBV DNA values had poorer survival compared with the bottom values for both biomarkers. These findings demonstrate a significant improvement in the prognostic ability of conventional advanced NPC staging. Conclusion: Baseline plasma EBV DNA and serum hs-CRP levels were significantly correlated with survival in NPC patients. The combined interpretation of EBV DNA with hs-CRP levels led to refinement of the risks for the patient subsets, with improved risk discrimination in patients with advanced-stage disease.

  20. Gadolinium as a Neutron Capture Therapy Agent

    NASA Astrophysics Data System (ADS)

    Shih, Jing-Luen Allen

    The clinical results of treating brain tumors with boron neutron capture therapy are very encouraging and researchers around the world are once again making efforts to develop this therapeutic modality. Boron-10 is the agent receiving the most attention for neutron capture therapy but ^{157}Gd is a nuclide that also holds interesting properties of being a neutron capture therapy agent. The objective of this study is to evaluate ^{157}Gd as a neutron capture therapy agent. In this study it is determined that tumor concentrations of about 300 mug ^{157}Gd/g tumor can be achieved in brain tumors with some FDA approved MRI contrast agents such as Gd-DTPA and Gd-DOTA, and up to 628 mug ^{157 }Gd/g tumor can be established in bone tumors with Gd-EDTMP. Monte Carlo calculations show that with only 250 ppm of ^{157}Gd in tumor, neutron capture therapy can deliver 2,000 cGy to a tumor of 2 cm diameter or larger with 5 times 10^{12} n/cm ^2 fluence at the tumor. Dose measurements which were made with films and TLD's in phantoms verified these calculations. More extended Monte Carlo calculations demonstrate that neutron capture therapy with Gd possesses comparable dose distribution to B neutron capture therapy. With 5 times 10^{12 } n/cm^2 thermal neutrons at the tumor, Auger electrons from the Gd produced an optical density enhancement on the films that is similar to the effect caused by about 300 cGy of Gd prompt gamma dose which will further enhance the therapeutic effects. A technique that combines brachytherapy with Gd neutron capture therapy has been evaluated. Monte Carlo calculations show that 5,000 cGy of prompt gamma dose can be delivered to a treatment volume of 40 cm^3 with a 3-plane implant of a total of 9 Gd needles. The tumor to normal tissue advantage of this method is as good as ^{60} Co brachytherapy. Measurements of prompt gamma dose with films and TLD-700's in a lucite phantom verify the Monte Carlo evaluation. A technique which displays the Gd

  1. On the theory of phase transitions in dense neutron matter with generalized Skyrme interactions and anisotropic spin-triplet p-wave pairing in strong magnetic field

    NASA Astrophysics Data System (ADS)

    Tarasov, A. N.

    2014-03-01

    In the framework of the generalized non-relativistic Fermi-liquid approach we study phase transitions in spatially uniform dense pure neutron matter from normal to superfluid states with a spin-triplet p-wave pairing (similar to anisotropic superfluid phases 3He-A1 and 3He-A2) in a steady and homogeneous strong magnetic field H (but |\\mu_{\\text{n}}| H\\ll E_{\\text{c}}<\\varepsilon_{\\text{F}}(n) , where \\mu_{\\text{n}} is the magnetic dipole moment of a neutron, E_{\\text{c}} is the cutoff energy and \\varepsilon_{\\text{F}}(n) is the Fermi energy in neutron matter with density of particles n). The previously derived general formulas (valid for the arbitrary parametrization of the effective Skyrme interaction in neutron matter) for phase transition (PT) temperatures T_{\\text{c}1,2}(n,H) (which are nonlinear functions of the density n and linear functions of the magnetic field H) are specified here for new generalized BSk20 and BSk21 parameterizations of the Skyrme forces (with additional terms dependent on the density n) in the interval 0.1\\cdot n_{0} < n<3.0\\cdot n_{0} , where n_{0}=0.17\\ \\text{fm}^{-3} is the nuclear density. Our main results are mathematical expressions and figures for PT temperatures in the absence of magnetic field, T_{\\text{c0,BSk20}}(n)< 0.17\\ \\text{MeV} and T_{\\text{c0,BSk21}}(n)< 0.064\\ \\text{MeV} (at E_{\\text{c}}=10\\ \\text{MeV} ), and T_{\\text{c1,2}}(n,H) in strong magnetic fields (which may approach to 10^{17}\\ \\text{G} or even more as in the liquid outer core of magnetars —strongly magnetized neutron stars). These are realistic non-monotone functions with a bell-shaped density profile.

  2. Predictive Value of Molecular Subtyping for Locoregional Recurrence in Early-Stage Breast Cancer with N1 without Postmastectomy Radiotherapy

    PubMed Central

    Wen, Ge; Zhang, Jin-Shan; Zhu, Yu-Jia; Huang, Xiao-Bo; Guan, Xun-Xing

    2016-01-01

    Purpose This study was designed to investigate the relationship between molecular subtype and locoregional recurrence (LRR) in patients with early-stage breast cancer with 1–3 positive axillary lymph nodes (ALNs) and improve the individualized indications for postmastectomy radiotherapy (PMRT). Methods The records of 701 patients with pT1-2N1M0 breast cancer who did not undergo PMRT were retrospectively analyzed. Tumors were subclassified as follows: luminal A, luminal B, human epidermal growth factor receptor 2 (HER2)-enriched, and basal-like subtypes. Multivariate Cox analysis was used to determine the risk of LRR associated with the different subtypes and to adjust for clinicopathologic factors. Results Luminal A, luminal B, HER2-enriched, and basal-like subtypes accounted for 51.2%, 28.0%, 8.1%, and 12.7% of cases, respectively. The median follow-up duration was 67 months (range, 9–156 months). Univariate analysis revealed that, compared with the luminal A subtype, the HER2-enriched and basal-like subtypes were associated with significantly higher 5-year LRR rates (5.6% vs. 21.6% and vs.15.7% respectively; p=0.002 each), lower 5-year LRR-free survival (LRFS) rates (90.6% vs. 73.8% and 78.5%, respectively; p=0.001 each), and poorer 5-year breast cancer-specific survival (BCSS) rates (93.7% vs. 82.2% [p=0.002] and 84.9% [p=0.001], respectively). Multivariate analysis revealed that the HER2-enriched and basal-like subtypes, age ≤35 years, a medial tumor, and pT2 stage were poor prognostic factors for LRR and LRFS; furthermore, 2 to 3 positive ALNs represented an independent prognostic factor affecting LRR. The 10-year LRR rates of patients with 0, 1, 2, 3, and 4 risk factors were 1.0%, 6.9%, 14.3%, 30.4%, and 54.3%, respectively (p<0.001); the 10-year BCSS rates were 86.6%, 88.5%, 84.4%, 79.7%, and 38.8%, respectively (p<0.001). Conclusion Molecular subtyping allows for individualized evaluation of LRR risk in patients with pT1-2N1M0 breast cancer. PMRT should be recommended for patients with ≥3 LRR risk factors. PMID:27382394

  3. The influence of drugs on the overflow of noradrenaline and the identification of receptors in guinea-pig atria.

    PubMed Central

    Hayes, R.; Howard, J. C.; Nasmyth, P. A.

    1982-01-01

    1 Salbutamol (1.0 microM) and isoprenaline (1.2 nM) significantly increased the fractional release of tritiated noradrenaline from driven left atria but phentolamine (10 microM) failed to do so. Butoxamine (4.0 microM) blocked the increase in overflow produced by isoprenaline. Isoprenaline (1.2 nM), phentolamine (10.0 microM) and salbutamol (1.0 microM) failed to increase the overflow of tritiated noradrenaline from spontaneously beating atria. 2 Spontaneously beating atria were therefore used to identify the receptors mediating chronotropism and inotropism. 3 There was no clear relationship between inotropism and chronotropism. 4 The inotropic effects of both dobutamine (0.04-4.0 microM) and isoprenaline (0.11-9.0 nM) were inhibited by practolol (4.0 microM) and by butoxamine (4.0 microM). The chronotropic effects were inhibited only by practolol (4.0 microM). 5 Both inotropic and chronotropic effects of noradrenaline (3.0-200 nM) were antagonized by practolol (4.0 microM), but not by butoxamine (4.0 microM). Thus both functions appeared to be mediated by beta 1-adrenoceptors when noradrenaline was the agonist. 6 Inotropic responses to salbutamol (0.45-7.5 microM) were inhibited by both practolol (4.0 microM) and by butoxamine (4.0 microM), but chronotropic responses were antagonized only by butoxamine (4.0 microM), Thus salbutamol acts on both beta 1-and beta 2-adrenoceptors to produce an inotropic response but only on beta 2-adrenoceptors to produce its chronotropic response. 7 It is concluded that both beta 1- and beta 2-adrenoceptors can mediate chronotropism and inotropism in guinea-pig isolated atria. Determination of the postsynaptic effects of drugs should be carried out on spontaneously beating rather than driven atria to obviate modification of the responses by noradrenaline release from sympathetic neurons. PMID:7082903

  4. Integrable models and quantum spin ladders: comparison between theory and experiment for the strong coupling ladder compounds

    NASA Astrophysics Data System (ADS)

    Batchelor, M. T.; Guan, X. W.; Oelkers, N.; Tsuboi, Z.

    2007-05-01

    This article considers recent advances in the investigation of the thermal and magnetic properties of integrable spin ladder models and their applicability to the physics of strong coupling ladder compounds. For this class of compounds the rung coupling J⊥ is much stronger than the coupling J∥ along the ladder legs. The ground state properties of the integrable two-leg spin- [image omitted] and the mixed spin-( [image omitted]) ladder models at zero temperature are analysed by means of the Thermodynamic Bethe Ansatz (TBA). Solving the TBA equations yields exact results for the critical fields and critical behaviour. The thermal and magnetic properties of the models are discussed in terms of the recently introduced High Temperature Expansion (HTE) method, which is reviewed in detail. In the strong coupling region the integrable spin- [image omitted] ladder model exhibits three quantum phases: (i) a gapped phase in the regime [image omitted], (ii) a fully polarized phase for [image omitted], and (iii) a Luttinger liquid magnetic phase in the regime Hc112N2)2Cl4, (C5H12N)2CuBr4, BIP-BNO and [Cu2(C2O2)(C10H8N2)2)](NO3)2. Similar analysis of the mixed spin-( [image omitted]) ladder model reveals a rich phase diagram, with a [image omitted] and a full saturation magnetization plateau within the strong antiferromagnetic rung coupling regime. For weak rung coupling, the fractional magnetization plateau is diminished and a new quantum phase transition occurs. The phase diagram can be directly deduced from the magnetization curve obtained from the exact result derived from the TBA and HTE. The results are applied to the mixed

  5. Ordering principle for cluster expansions in the theory of quantum fluids, dense gases, and simple classical liquids

    SciTech Connect

    Feenberg, E.; Lee, D.K.

    1982-03-01

    A study is made of a series-expansion procedure which gives the leading terms of the n-particle distribution function p/sup( n/)(1,2,...,n) as explicit functionals in the radial distribution function g(r). The development of the series is based on the cluster-expansion formalism applied to the Abe form for p/sup( n/) expressed as a product of the generalized Kirkwood superposition approximation P/sup( n/)/sub K/ and a correction factor exp(A/sup( n/)(1,2,...,n)). An ordering parameter ..mu.. is introduced to determine A/sup( n/) and p/sup( n/) in the form of infinite power series in ..mu.., and the postulate of minimal complexity is employed to eliminate an infinite number of possible classes of solutions in a sequential relation connecting A/sup( n/-1) and A/sup( n/). Derivation of the series for p/sup( n/) and many other algebraic manipulations involving a large number of cluster integrals are greatly simplified by the use of a scheme which groups together all cluster terms having, in a certain way, the same source term. In particular, the scheme is useful in demonstrating that the nature of the series structure of p/sup(/sup 3/) is such that its three-point Fourier transform S/sup(/sup 3/)(k/sub 1/,k/sub 2/,k/sub 3/) has as a factor the product of the three liquid-structure functions S(k/sub 1/)S(k/sub 2/)S(k/sub 3/). The results obtained to order ..mu../sup 4/ for A/sup(/sup 3/), p/sup(/sup 3/), and S/sup(/sup 3/) agree with those derived earlier in a more straightforward but tedious approach. The result for p/sup(/sup 4/) shows that the convolution approximation p/sup(/sup 4/)/sub c/, which contains ..mu../sup 3/ terms, must be supplemented by a correction of O(..mu../sup 3/) in order to be accurate through third order. The ..mu..-expansion approach is also examined for the cluster expansion of the correlation function in the Bijl-Dingle-Jastrow description of a many-boson system, and then compared with the number-density expansion formula by using the Gaussian model for g(r)-1 to evaluate cluster integrals.

  6. A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster

    NASA Astrophysics Data System (ADS)

    Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun

    2015-04-01

    The spontaneous formation of discrete spherical nanosized molecules is prevalent in nature, but the authentic structural mimicry of such highly symmetric polyhedra from edge sharing of regular polygons has remained elusive. Here we present a novel ball-shaped {(HNEt3)[Ag37S4(SC6H4tBu)24(CF3COO)6(H2O)12]} cluster (1) that is assembled via a one-pot process from polymeric {(HNEt3)2[Ag10(SC6H4tBu)12]}n and CF3COOAg. Single crystal X-ray analysis confirmed that 1 is a Td symmetric spherical molecule with a [Ag36(SC6H4tBu)24] anion shell enwrapping a AgS4 tetrahedron. The shell topology of 1 belongs to one of 13 Archimedean solids, a truncated tetrahedron with four edge-shared hexagons and trigons, which are supported by a AgS4 Platonic solid in the core. Interestingly, the cluster emits green luminescence centered at 515 nm at room temperature. Our investigations have provided a promising synthetic protocol for a high-nuclearity silver cluster based on underlying geometrical principles.The spontaneous formation of discrete spherical nanosized molecules is prevalent in nature, but the authentic structural mimicry of such highly symmetric polyhedra from edge sharing of regular polygons has remained elusive. Here we present a novel ball-shaped {(HNEt3)[Ag37S4(SC6H4tBu)24(CF3COO)6(H2O)12]} cluster (1) that is assembled via a one-pot process from polymeric {(HNEt3)2[Ag10(SC6H4tBu)12]}n and CF3COOAg. Single crystal X-ray analysis confirmed that 1 is a Td symmetric spherical molecule with a [Ag36(SC6H4tBu)24] anion shell enwrapping a AgS4 tetrahedron. The shell topology of 1 belongs to one of 13 Archimedean solids, a truncated tetrahedron with four edge-shared hexagons and trigons, which are supported by a AgS4 Platonic solid in the core. Interestingly, the cluster emits green luminescence centered at 515 nm at room temperature. Our investigations have provided a promising synthetic protocol for a high-nuclearity silver cluster based on underlying geometrical principles

  7. Vitamin E Status and Metabolism in Adult and Aged Aryl Hydrocarbon Receptor Null Mice

    PubMed Central

    Traber, Maret G.; Mustacich, Debbie J.; Sullivan, Laura C.; Leonard, Scott W.; Ahern-Rindell, Amelia; Kerkvliet, Nancy

    2009-01-01

    The aryl hydrocarbon receptor (AhR) is involved in regulation of mechanisms for detoxification of xenobiotics, as well as vitamin A metabolism. Vitamin E is a fat-soluble nutrient whose metabolism is initialized via the cytochrome P450 system. Thus, AhR absence could alter hepatic regulation of α-tocopherol metabolism. To test this hypothesis, we assessed vitamin E status in adult (2–5 m) and old (21–22 m), wildtype and AhR-null mice. Plasma α-tocopherol concentrations in AhR null mice (2.3 ± 1.2 μmol/L, n= 19) were lower than those of wildtype mice (3.2 ± 1.2, n=17, P=0.0131); those in old mice (3.2 ± 1.2, n= 20) were higher than those of adults (2.2 ± 1.0, n=16, p=0.0075). Hepatic α-tocopherol concentrations were not different between genotypes, but were nearly double in old (32 ± 8 nmol/g, n=20) as compared with adult mice (17 ± 2, n=16, p<0.0001). Hepatic Cyp3a concentrations in AhR-null mice were greater than those in wildtypes (p=0.0011). Genotype (p=0.0047), sex (p<0.0001) and age (p<0.0001) were significant modifiers of liver α-tocopherol metabolite (α-CEHC) concentrations. In general, Cyp3a concentrations correlated with hepatic α-tocopherol (r= 0.3957, p<0.05) and α-CEHC (r=0.4260, p<0.05) concentrations. Since there were no significant genotype differences in the hepatic α- or γ-tocopherol concentrations, AhR null mice did not have dramatically altered vitamin E metabolism. Since they did have higher hepatic α-CEHC concentrations, these data suggest metabolism was up-regulated in the AhR null mice in order to maintain the hepatic tocopherol concentrations similar to those of wildtypes. PMID:20153623

  8. Volcanic Pulses at the Northern East Pacific Rise 12°00'-12°30'N

    NASA Astrophysics Data System (ADS)

    Reynolds, J. R.

    2002-12-01

    Detailed observation of fast-spreading oceanic crust has been extended off axis in a few limited areas (e.g., 9°30N, 9°50N, 17-19S), but a coherent understanding of the volcanic and tectonic patterns inscribed on the seafloor off axis is still developing. We discuss the on- and off-axis seafloor geology of a 50km section of the fast spreading EPR 12°00'-12°30'N, based on bathymetry, SeaMARC I side-scan sonar images, and seafloor photographs, plus petrological constraints. The results show a volcanic system with strongly episodic behavior, characterized by volcanic and possibly tectonic pulses or cycles on several time scales. The present 12N ridge axis has a low level of volcanic activity, with young lava flows confined to the floor of the axial graben. Hydrothermal activity is widespread but at a lower level than 9N; at 12N, areas of active venting are interrupted by gaps of 0.6-2km along strike. The younger lava geochemistry in the graben is deval-bounded, and comparison between offsets in the axial fissure swarm versus graben walls suggests that the deval boundaries migrated and the segment expanded lengthwise in response to magmatic activity. Correlation between graben width and the distance to the first off-axis faults, along with petrological constraints, leads to a conclusion that the axial graben formed at the same time and with the same trigger as the closest off-axis faults. Creation of faults 1-2km off axis implies subsidence at an intermediate level in the crust, possibly following eruption of a large volume of magma. Abrupt increases of 30-50%\\ in sediment cover at 1.2-2.7km off-axis are interpreted as jumps in seafloor age. These bound a zone of flows that extends from old parts of the graben floor onto the axial highs and down the flanks, most plausibly interpreted as flows which reached more than 2km off axis. The most widely accepted argument for flows travelling 2km off axis is their potential role in thickening of seismic Layer 2A. If

  9. Epidemiology and Molecular Characterization of Macrolide-Resistant Streptococcus pyogenes in Taiwan

    PubMed Central

    Huang, Chia-Ying; Lai, Jui-Fen; Huang, I-Wen; Chen, Pei-Chen; Wang, Hui-Ying; Shiau, Yih-Ru; Cheng, Ya-Wen; Hsieh, Li-Yun; Chang, Shan-Chwen

    2014-01-01

    Our multicenter nationwide surveillance data indicated that erythromycin (ERY) resistance among group A Streptococcus (GAS) isolates in Taiwan declined from 53.1% in 1998 and 2000 to 14.6% in 2002 and 2004 and 10.7% in 2006 to 2010 (P < 0.01). The present study aimed to assess the epidemiology of GAS in Taiwan and identify factors associated with ERY resistance. All 127 ERY-resistant (ERYr) isolates and 128 randomly selected ERY-susceptible (ERYs) isolates recovered from 1998 to 2010 were emm typed. ERYr isolates were also characterized by ERY resistance phenotype and mechanisms and pulsed-field gel electrophoresis (PFGE). Multilocus sequence typing was performed on selected ERYr isolates. The predominant emm types in ERYr isolates were emm22 (n = 33, 26.0%), emm12 (n = 24, 18.9%), emm4 (n = 21, 16.5%), and emm106 (n = 15, 11.8%). In ERYs isolates, emm12 (n = 27, 21.9%), emm1 (n = 18, 14.1%), emm106 (n = 16, 12.5%), and emm11 (n = 9, 7.1%) predominated. The most common ERY resistance phenotype was the M phenotype (resistant to macrolides) (70.9%), with all but one isolate carrying mef(A), followed by the constitutive macrolide-lincosamide-streptogramin B resistance (cMLSB) phenotype (26.8%), with isolates carrying erm(B) or erm(TR). ERYr isolates of the emm12-sequence type 36 (ST36) lineage with the cMLSB phenotype were mostly present before 2004, while those of the emm22-ST46 lineage with the M phenotype predominated in later years. Recovery from respiratory (throat swab) specimens was an independent factor associated with ERY resistance. emm1 and emm11 GAS isolates were significantly associated with ERYs, while emm22 was detected only in ERYr GAS. In addition, emm106 isolates were prevalent among the abscess/pus isolates, whereas emm12 isolates were strongly associated with a respiratory (throat) origin. In addition to identifying factors associated with ERY resistance in GAS, our study provides helpful information on the changing GAS epidemiology in Taiwan. PMID

  10. Little Evidence of Subclinical Avian Influenza Virus Infections among Rural Villagers in Cambodia

    PubMed Central

    Gray, Gregory C.; Krueger, Whitney S.; Chum, Channimol; Putnam, Shannon D.; Wierzba, Thomas F.; Heil, Gary L.; Anderson, Benjamin D.; Yasuda, Chadwick Y.; Williams, Maya; Kasper, Matthew R.; Saphonn, Vonthanak; Blair, Patrick J.

    2014-01-01

    In 2008, 800 adults living within rural Kampong Cham Province, Cambodia were enrolled in a prospective cohort study of zoonotic influenza transmission. After enrollment, participants were contacted weekly for 24 months to identify acute influenza-like illnesses (ILI). Follow-up sera were collected at 12 and 24 months. A transmission substudy was also conducted among the family contacts of cohort members reporting ILI who were influenza A positive. Samples were assessed using serological or molecular techniques looking for evidence of infection with human and avian influenza viruses. Over 24 months, 438 ILI investigations among 284 cohort members were conducted. One cohort member was hospitalized with a H5N1 highly pathogenic avian influenza (HPAI) virus infection and withdrew from the study. Ninety-seven ILI cases (22.1%) were identified as influenza A virus infections by real-time RT-PCR; none yielded evidence for AIV. During the 2 years of follow-up, 21 participants (3.0%) had detectable antibody titers (≥1∶10) against the studied AIVs: 1 against an avian-like A/Migratory duck/Hong Kong/MPS180/2003(H4N6), 3 against an avian-like A/Teal/Hong Kong/w312/97(H6N1), 9 (3 of which had detectible antibody titers at both 12- and 24-month follow-up) against an avian-like A/Hong Kong/1073/1999(H9N2), 6 (1 detected at both 12- and 24-month follow-up) against an avian-like A/Duck/Memphis/546/74(H11N9), and 2 against an avian-like A/Duck/Alberta/60/76(H12N5). With the exception of the one hospitalized cohort member with H5N1 infection, no other symptomatic avian influenza infections were detected among the cohort. Serological evidence for subclinical infections was sparse with only one subject showing a 4-fold rise in microneutralization titer over time against AvH12N5. In summary, despite conducting this closely monitored cohort study in a region enzootic for H5N1 HPAI, we were unable to detect subclinical avian influenza infections, suggesting either that these

  11. A method for preparation and cleaning of uniformly sized arsenopyrite particles

    SciTech Connect

    Parthasarathy, Hariprasad; Baltrus, John P; Dzombak, David A; Karamalidis, Athanasios K

    2014-10-11

    The oxidative dissolution of sulfide minerals, such as arsenopyrite (FeAsS), is of critical importance in many geochemical systems. A comprehensive understanding of their dissolution rates entails careful preparation of the mineral surface. Measurements of dissolution rates of arsenic from arsenopyrite are dependent on the size and degree of oxidation of its particles, among other factors. In this work, a method was developed for preparation and cleaning of arsenopyrite particles with size range of 150–250 μm. Four different cleaning methods were evaluated for effectiveness based on the removal of oxidized species of iron (Fe), arsenic (As) and sulfur (S) from the surface. The percentage oxidation of the surface was determined using X-ray photoelectron spectroscopy (XPS), and surface stoichiometry was measured using scanning electron microscopy – energy dispersive X-ray spectroscopy (SEM-EDS). Results indicate that sonicating the arsenopyrite particles and then cleaning them with 12N HCl followed by 50% ethanol, and drying in nitrogen was the most effective method. This method was successful in greatly reducing the oxide species of Fe while completely removing oxides of As and S from the arsenopyrite surface. Although sonication and acid cleaning have been widely used for mineral preparation, the method described in this study can significantly reduce grain size heterogeneity as well as surface oxidation, which enables greater control in surface and dissolution experiments.

  12. A method for preparation and cleaning of uniformly sized arsenopyrite particles

    DOE PAGESBeta

    Parthasarathy, Hariprasad; Baltrus, John P; Dzombak, David A; Karamalidis, Athanasios K

    2014-10-11

    The oxidative dissolution of sulfide minerals, such as arsenopyrite (FeAsS), is of critical importance in many geochemical systems. A comprehensive understanding of their dissolution rates entails careful preparation of the mineral surface. Measurements of dissolution rates of arsenic from arsenopyrite are dependent on the size and degree of oxidation of its particles, among other factors. In this work, a method was developed for preparation and cleaning of arsenopyrite particles with size range of 150–250 μm. Four different cleaning methods were evaluated for effectiveness based on the removal of oxidized species of iron (Fe), arsenic (As) and sulfur (S) from themore » surface. The percentage oxidation of the surface was determined using X-ray photoelectron spectroscopy (XPS), and surface stoichiometry was measured using scanning electron microscopy – energy dispersive X-ray spectroscopy (SEM-EDS). Results indicate that sonicating the arsenopyrite particles and then cleaning them with 12N HCl followed by 50% ethanol, and drying in nitrogen was the most effective method. This method was successful in greatly reducing the oxide species of Fe while completely removing oxides of As and S from the arsenopyrite surface. Although sonication and acid cleaning have been widely used for mineral preparation, the method described in this study can significantly reduce grain size heterogeneity as well as surface oxidation, which enables greater control in surface and dissolution experiments.« less

  13. [Simultaneous determination of iodide and thiocyanate powdered milk using ion chromatography with mixed-mode column].

    PubMed

    Li, Jing; Wang, Yu; Liang, Lina

    2010-04-01

    The contents of iodide and thiocyanate are important detection items in powdered milk quality testing. Due to the complexity of the powdered milk matrix, chromatographic analysis is easily subjected to interference. Acclaim Mixed-Mode WAX-1 column incorporated both hydrophobic and weak anion-exchange properties was used to separate iodide and thiocyanate from interfering substances in powdered milk matrix, and detected by Ultraviolet (UV) detection. After powdered milk was dissolved in water, the protein was precipitated by acetonitrile. Then OnGuard RP pre-treatment column was used to remove the organic matters which might pollute the column. The eluent was acetonitrile-100 mmol/L phosphate buffer (pH 6)-water (45:5:50,v/v/v). The UV detection wavelength was 226 nm. The limits of detection of iodide and thiocyanate were 4.6 microg/L and 13.8 microg/L respectively, and the relative standard deviations of peak areas were 1.2% (n = 6) and 1.7% (n = 6) for 0.2 mg/L iodide and thiocyanate standard solutions. The method is accurate and reliable, and has wide linear range, low limit of detection. This method provides a viable approach for powdered milk quality dairy products. PMID:20712128

  14. Orientational disorder in the one-dimensional coordination polymer catena-poly[[bis­(acetyl­acetonato-κ2 O,O′)cobalt(II)]-μ-1,4-di­aza­bicyclo­[2.2.2]octane-κ2 N 1:N 4

    PubMed Central

    Dumitru, Florina; Englert, Ulli; Braun, Beatrice

    2016-01-01

    The title compound, [Co(C5H7O2)2(C6H12N2)]n, was obtained as a one-dimensional coordination polymer from bis­(acetyl­acetonato)di­aqua­cobalt(II), [Co(acac)2(OH2)2], and 1,4-di­aza­bicyclo­[2.2.2]octane (DABCO), a di­amine with good bridging ability and rod-like spacer function. In the chain complex that extends along the c axis, the CoII atom is six-coordinated, the O-donor atoms of the chelating acac ligands occupying the equatorial positions and the bridging DABCO ligands being in trans-axial positions. In the crystal structure, the DABCO ligand is conformationally disordered in a 50:50 manner as a result of its location across a crystallographic mirror plane. The metal–metal distance is very close to that in a related compound exhibiting weak anti­ferromagnetic exchange between the CoII ions, and the title compound can thus be useful for obtaining more information about the contribution of different bridges to the magnetic coupling between paramagnetic ions. PMID:27375886

  15. Fluorescence Biomembrane Force Probe: Concurrent Quantitation of Receptor-ligand Kinetics and Binding-induced Intracellular Signaling on a Single Cell.

    PubMed

    Chen, Yunfeng; Liu, Baoyu; Ju, Lining; Hong, Jinsung; Ji, Qinghua; Chen, Wei; Zhu, Cheng

    2015-01-01

    Membrane receptor-ligand interactions mediate many cellular functions. Binding kinetics and downstream signaling triggered by these molecular interactions are likely affected by the mechanical environment in which binding and signaling take place. A recent study demonstrated that mechanical force can regulate antigen recognition by and triggering of the T-cell receptor (TCR). This was made possible by a new technology we developed and termed fluorescence biomembrane force probe (fBFP), which combines single-molecule force spectroscopy with fluorescence microscopy. Using an ultra-soft human red blood cell as the sensitive force sensor, a high-speed camera and real-time imaging tracking techniques, the fBFP is of ~1 pN (10(-12) N), ~3 nm and ~0.5 msec in force, spatial and temporal resolution. With the fBFP, one can precisely measure single receptor-ligand binding kinetics under force regulation and simultaneously image binding-triggered intracellular calcium signaling on a single live cell. This new technology can be used to study other membrane receptor-ligand interaction and signaling in other cells under mechanical regulation. PMID:26274371

  16. 13C-urea breath test for diagnosis of experimental Helicobacter pylori infection in barrier born pigs.

    PubMed Central

    Meyer-Rosberg, K; Gustavsson, S

    1993-01-01

    Previous studies with Helicobacter pylori infected barrier born pigs indicate that the infection has a patchy distribution, resulting in false negative culture results on endoscopic biopsy specimens. This study aimed to adapt the 13C-urea breath test as used in humans to diagnose H pylori infection in barrier born pigs. The breath test was also performed after bismuth as a single treatment and after triple therapy (bismuth, ampicillin, metronidazole). In control pigs the median excess of 13CO2 in expired air was 2.2 (range 0-12 n = 22) ppm. The infected pigs (n = 4) showed consistently high values (median 23 range 14-43) when examined on four occasions (n = 16) four to 10 weeks after inoculation. Biopsy specimens for culture had lower sensitivity than the breath test. No reduction in excess 13CO2 was seen after three days' single bismuth treatment, but after two weeks' triple therapy the breath test results had returned to normal. This suppression was temporary only, however, as the breath test was positive again four weeks after stopping treatment. In conclusion, the 13C-urea breath test is a simple and reliable test for determining H pylori infection and monitoring treatment effects in barrier born pigs. Because the test can be performed in awake pigs anaesthesia and gastroscopy are unnecessary. Images Figure 1 PMID:8504957

  17. Seasonal and spatial variability of rainfall redistribution under Scots pine and Downy oak forests in Mediterranean conditions

    NASA Astrophysics Data System (ADS)

    Garcia-Estringana, Pablo; Latron, Jérôme; Molina, Antonio J.; Llorens, Pilar

    2013-04-01

    The large degree of temporal and spatial variability of throughfall input patterns may lead to significant changes in the volume of water that reach the soil in each location, and beyond in the hydrological response of forested hillslopes. To explore the role of vegetation in the temporal and spatial redistribution of rainfall in Mediterranean climatic conditions two contrasted stands were monitored. One is a Downy oak forest (Quercus pubescens) and the other is a Scots pine forest (Pinus sylvestris), both are located in the Vallcebre research catchments (NE Spain, 42° 12'N, 1° 49'E). These plots are representative of Mediterranean mountain areas with spontaneous afforestation by Scots pine as a consequence of the abandonment of agricultural terraces, formerly covered by Downy oaks. The monitoring design of each plot consists of a set of 20 automatic rain recorders and 40 automatic soil moisture probes located below the canopy. 100 hemispheric photographs of the canopy were used to place the instruments at representative locations (in terms of canopy cover) within the plot. Bulk rainfall, stemflow and meteorological conditions above the forest cover are also automatically recorded. Canopy cover as well as biometric characteristics of the plots are also regularly measured. This work presents the first results describing the variability of throughfall beneath each forest stand and compares the persistence of temporal patterns among stands, and for the oaks stand among the leafed and the leafless period. Furthermore, canopy structure, rainfall characteristics and meteorological conditions of rainfall events are evaluated as main drivers of throughfall redistribution.

  18. A new shipping container for an intense neutron emitter

    SciTech Connect

    Bigelow, J.E.; Alexander, C.W.; Pace, J.V. III; Simmons, C.M.

    1994-06-01

    Californium-252 is an intense neutron emitter (2.34 {times} 10{sup 12} n/s{center_dot}g) used in medicine, research, and industry. The western world`s sole source of this rare radioisotope is the Californium Facility at Oak Ridge National Laboratory`s Radiochemical Engineering Development Center (REDC). A project has been initiated at the REDC to design a new Type B Californium Shipping Container. This effort is essential for future transportation of californium to meet the needs of users all over the world. The shipping container must meet all requirements for transport by motor freight, air, vessel, and rail, both domestic and foreign. There are unique problems in the design, fabrication, and licensing of a new Type B shipping container that will accommodate up to 60 milligrams of californium-252. One of the first challenges in the design phase of the project is the selection of a material to shield the high neutron flux. The more stringent safety precautions of today`s world impel us to consider more exotic materials for such a purpose. The candidate materials must be examined not just for their neutron shielding properties, but also in conjunction with other properties such as thermal and structural requirements to withstand the hypothetical accident conditions. The design and building of such a container is a formidable task requiring much planning. The licensing process, with the complex, interactive federal codes, is a special challenge and may be the biggest on the project in terms of time and money.

  19. EM localization for resonance frequency of pre-Cantor bar of higher stages

    NASA Astrophysics Data System (ADS)

    Kaino, K.; Obata, T.; Sonoda, J.; Kojo, J.

    2013-02-01

    Using the transmission-line theory, we investigate properties of wave propagation and resonance in a pre-Cantor multilayer called pre-Cantor bars whose interval is [0,L]. When the stage number n increases, the pre-Cantor bar will not transmit almost anywhere for ɛr2 > 1 where ɛr2 is the ratio of dielectric constants of two kinds of layers. For resonance frequencies of the n-th pre-Cantor bar, the largest amplitude of voltage at the midpoint of the bar, V(L/2), increases double-exponentially because of the inequality |V(L/2)|≤ɛr22n-2. For such a resonance frequency, the amplitude of the voltage at the midpoint of an interval [L/3k+1,2L/3k+1] is given by |V(L/2ṡ3k)|≤ɛr22n-k-2 where k = 1,2, ..., n - 1. Because the voltage |V(x)| is localized around x = L/2, the electro-magnetic wave (EM) localization occurs for the resonance frequencies of the pre-Cantor bar of the higher stages. Using a microstripline of the 3rd stage Cantor structure we will show that the measured transmission spectrum is consistent with the ideal one if the dissipation factor of the substrate is tan δ = 0.023 that is a typical value for the substrate of glassy epoxy resin in microwave frequencies.

  20. Indo-Pacific Sea Surface Temperature Influences on Failed Consecutive Rainy Seasons over Eastern Africa

    NASA Astrophysics Data System (ADS)

    Hoell, A.; Funk, C. C.

    2013-12-01

    Rainfall over eastern Africa (3S-12N; 40E-50E) is bimodal, with seasonal maxima during the "long rains" of March-April-May (MAM) and the "short rains" of October-November-December (OND). Below average precipitation during consecutive long and short rains seasons over eastern Africa can have devastating long-term impacts on water availability and agriculture. Here, we examine the forcing of drought during consecutive long and short rains seasons over eastern Africa by Indo-Pacific sea surface temperatures (SSTs). The forcing of eastern Africa precipitation and circulation by SSTs is tested using twelve ensemble simulations of a global weather forecast model forced by 1950-2010 observed global SSTs. Since the 1980s, Indo-Pacific SSTs have forced more frequent droughts spanning consecutive long and short rains seasons over eastern Africa. The increased frequency of dry conditions is linked to warming SSTs over the Indo-west Pacific and to a lesser degree to Pacific decadal variability. During MAM, long-term warming of tropical west Pacific SSTs from 1950-2010 has forced statistically significant precipitation reductions over eastern Africa. The warming west Pacific SSTs have forced changes in the regional lower tropospheric circulation by weakening the Somali Jet, which has reduced moisture and rainfall over the Horn of Africa. During OND, reductions in precipitation over recent decades are oftentimes overshadowed by strong year-to-year precipitation variability forced by the Indian Ocean Dipole (IOD) and the El Niño - Southern Oscillation (ENSO).

  1. Ex vivo determination of bone tissue strains for an in vivo mouse tibial loading model.

    PubMed

    Carriero, Alessandra; Abela, Lisa; Pitsillides, Andrew A; Shefelbine, Sandra J

    2014-07-18

    Previous studies introduced the digital image correlation (DIC) as a viable technique for measuring bone strain during loading. In this study, we investigated the sensitivity of a DIC system in determining surface strains in a mouse tibia while loaded in compression through the knee joint. Specifically, we examined the effect of speckle distribution, facet size and overlap, initial vertical alignment of the bone into the loading cups, rotation with respect to cameras, and ex vivo loading configurations on the strain contour maps measured with a DIC system. We loaded tibiae of C57BL/6 mice (12 and 18 weeks old male) up to 12 N at 8 N/min. Images of speckles on the bone surface were recorded at 1N intervals and DIC was used to compute strains. Results showed that speckles must have the correct size and density with respect to the facet size of choice for the strain distribution to be computed and reproducible. Initial alignment of the bone within the loading cups does not influence the strain distribution measured during peak loading, but bones must be placed in front of the camera with the same orientation in order for strains to be comparable. Finally, the ex vivo loading configurations with the tibia attached to the entire mouse, or to the femur and foot, or only to the foot, showed different strain contour maps. This work provides a better understanding of parameters affecting full field strain measurements from DIC in ex vivo murine tibial loading tests. PMID:24835472

  2. Crystal structure of 4-[benzylideneamino]-3-thiophen-2-yl-methyl-4,5-dihydro-1H-[1,2,4] triazole-5-one

    SciTech Connect

    Tanak, H.

    2013-12-15

    The crystal structure of the title compound C{sub 14}H{sub 12}N{sub 4}OS was determined by the X-ray diffraction method. The compound crystallizes in the triclinic space group P-bar1 with Z = 2. The molecule is not planar: the dihedral angle between the triazole and thiophene rings is 73.98(2)°, and that between the triazole and benzene rings is 4.05(2)°. The thiophene ring is disordered over two positions, which are approximately parallel and oppositely oriented. The major component refined to a site-occupancy factor of 0.573(3). An intramolecular C-H...O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked together by two pairs of N-H...O interactions (to the same O atom as acceptor), forming inversion dimers. The crystal packing is also stabilized by π-π interactions [centroid-centroid distance is 3.978 Å].

  3. A novel one-dimensional metal-organic framework with a μ-cyanido-argentate group: catena-poly[[(5,5'-dimethyl-2,2'-bipyridyl-κ(2)N,N')silver(I)]-μ-cyanido-κ(2)N:C].

    PubMed

    Piromchom, Jureepan; Othong, Jintana; Boonmak, Jaursup; Mutikainen, Ilpo; Youngme, Sujittra

    2015-12-01

    The design and synthesis of metal coordination and supramolecular frameworks containing N-donor ligands and dicyanidoargentate units is of interest due to their potential applications in the fields of molecular magnetism, catalysis, nonlinear optics and luminescence. In the design and synthesis of extended frameworks, supramolecular interactions, such as hydrogen bonding, π-π stacking and van der Waals interactions, have been exploited for molecular recognition associated with biological activity and for the engineering of molecular solids.The title compound, [Ag(CN)(C12H12N2)]n, crystallizes with the Ag(I) cation on a twofold axis, half a cyanide ligand disordered about a centre of inversion and half a twofold-symmetric 5,5'-dimethyl-2,2'-bipyridine (5,5'-dmbpy) ligand in the asymmetric unit. Each Ag(I) cation exhibits a distorted tetrahedral geometry; the coordination environment comprises one C(N) atom and one N(C) atom from substitutionally disordered cyanide bridging ligands, and two N atoms from a bidentate chelating 5,5'-dmbpy ligand. The cyanide ligand links adjacent Ag(I) cations to generate a one-dimensional zigzag chain. These chains are linked together via weak nonclassical intermolecular interactions, generating a two-dimensional supramolecular network. PMID:26632831

  4. A breadth-first quadtree coding scheme for multicolored spatial data

    NASA Astrophysics Data System (ADS)

    Chang, Henry Ker-Chang; Tso, Cheng-Kuan

    1996-03-01

    In this paper, we apply the newly developed linear quadtree coding technique 2DTE to construct a single multicolored quadtree for a multicolored thematic map. The proposed 2DTE technique is designed on the basis of a Morton sequence, template matching, and the breadth-first traversal order. With the Morton sequence, we can generate the quaternary codes for various functions of a multicolored thematic map; the decision of decomposition is derived using the concept of template matching. The performance, in terms of memory space and time complexity, for the proposed 2DTE technique is analyzed and compared using an agricultural image of four objects. The result of a single multicolored quadtree derived by the breadth-first traversal order is compared with that of a set of linear quadtrees based on Gargantini's method. The experimental results show that the proposed method has an advantage of obvious memory space reduction over the result of Gargantini's method. Besides, theoretic analysis is derived from an image of size 2 n × 2 n, where n is the resolution parameter and there are 2 n × 2 n colors. The proposed method needs 8 n × 4 n - 1 bits to encode whereas Gargantini's method needs 12 n × 4 n - 1 bits. The feasibility of the proposed scheme therefore can be verified by the performance comparisons.

  5. Urban rivers as conveyors of hydrocarbons to sediments of estuarine areas: source characterization, flow rates and mass accumulation.

    PubMed

    Mauad, Cristiane R; Wagener, Angela de L R; Massone, Carlos G; Aniceto, Mayara da S; Lazzari, Letícia; Carreira, Renato S; Farias, Cássia de O

    2015-02-15

    Aliphatic (n-C12-n-C40, unresolved complex mixture, resolved peaks) and aromatic hydrocarbons (46 PAH) were investigated in suspended particulate matter (SPM) sampled over eleven months in six of the major rivers and two channels of the Guanabara Bay Basin. PAH flow rates of the most contaminated rivers, the contribution to the PAH sediment load of the receiving bay, and the main sources of hydrocarbons were determined. PAH (38) ranged from 28 ng L(-1) to 11,514 ng L(-1). Hydrocarbon typology and statistical evaluation demonstrated contribution of distinct sources in different regions and allowed quantification of these contributions. Total flow rate for the five major rivers amounts to 3 t year(-1) and responds for 30% of the total PAH annual input into the northern area of the Guanabara Bay. For the first time PAH mass deposited in the bay sediments has been estimated and shall serve as base for decision making and source abatement. PMID:25434473

  6. Design and optimization of a beam shaping assembly for BNCT based on D-T neutron generator and dose evaluation using a simulated head phantom.

    PubMed

    Rasouli, Fatemeh S; Masoudi, S Farhad

    2012-12-01

    A feasibility study was conducted to design a beam shaping assembly for BNCT based on D-T neutron generator. The optimization of this configuration has been realized in different steps. This proposed system consists of metallic uranium as neutron multiplier, TiF(3) and Al(2)O(3) as moderators, Pb as reflector, Ni as shield and Li-Poly as collimator to guide neutrons toward the patient position. The in-air parameters recommended by IAEA were assessed for this proposed configuration without using any filters which enables us to have a high epithermal neutron flux at the beam port. Also a simulated Snyder head phantom was used to evaluate dose profiles due to the irradiation of designed beam. The dose evaluation results and depth-dose curves show that the neutron beam designed in this work is effective for deep-seated brain tumor treatments even with D-T neutron generator with a neutron yield of 2.4×10(12) n/s. The Monte Carlo Code MCNP-4C is used in order to perform these calculations. PMID:23041781

  7. Laparoscopic Pectopexy: A Biomechanical Analysis

    PubMed Central

    Puppe, J.; Prescher, A.; Scaal, M.; Noé, G. K.; Schiermeier, S.; Warm, M.

    2016-01-01

    Introduction Pectopexy, a laparoscopic method for prolapse surgery, showed promising results in recent literature. Further improving this approach by reducing surgical time may decrease complication rates and patient morbidity. Since laparoscopic suturing is a time consuming task, we propose a single suture /mesh ileo-pectineal ligament fixation as opposed to the commonly used continues approach. Methods Evaluation was performed on human non-embalmed, fresh cadaver pelves. A total of 33 trials was performed. Eight female pelves with an average age of 75, were used. This resulted in 16 available ligaments. Recorded parameters were ultimate load, displacement at failure and stiffness. Results The ultimate load for the mesh + simplified single “interrupted” suture (MIS) group was 35 (± 12) N and 48 (± 7) N for the mesh + continuous suture (MCS) group. There was no significant difference in the ultimate load between both groups (p> 0.05). This was also true for displacement at failure measured at 37 (± 12) mm and 36 (±5) mm respectively. There was also no significant difference in stiffness and failure modes. Conclusion Given the data above we must conclude that a continuous suture is not necessary in laparoscopic mesh / ileo-pectineal ligament fixation during pectopexy. Ultimate load and displacement at failure results clearly indicate that a single suture is not inferior to a continuous approach. The use of two single sutures may improve ligamental fixation. However, overall stability should not benefit since the surgical mesh remains the limiting factor. PMID:26844890

  8. Spatio-temporal variability of shallow groundwater during rainfall-runoff events in a Mediterranean mountain catchment (Vallcebre Research Catchments, Spain)

    NASA Astrophysics Data System (ADS)

    Roig-Planasdemunt, Maria; Llorens, Pilar; Latron, Jérôme

    2016-04-01

    With the aim of improving the knowledge of the hydrological functioning of Mediterranean mountain areas, this work investigates the spatial and temporal dynamics of the depth to water table during rainfall-runoff events in the Vallcebre Research Catchments (NE Spain, 42° 12'N, 1° 49'E). In combination with rainfall and runoff measurements, the depth to the water table was monitored at 13 locations within the Can Vila catchment (0.56 km2) during 19 rainfall-runoff events. The distribution of piezometers in the catchment allows examining the effect of topography and distance from the stream on the spatial and temporal distribution of depth to water table. On the other hand, the analysis of different rainfall-runoff events allows investigating the role of antecedent wetness conditions on the shallow groundwater dynamics associated to the streamflow response. Results show that the depth to water table did not rise in unison throughout the catchment during rainfall-runoff events. The shallow groundwater response was clearly different between locations near and far from the stream. However, this response was not clearly related to the topography. The antecedent wetness conditions were found as the most important control on the spatio-temporal variability of the groundwater response, which in turn affects the magnitude of the streamflow response. In dry conditions, a higher spatio-temporal variability of depth to water table as well as a much slower response of the groundwater was observed.

  9. Creep behavior of a rabbit model of ligament laxity after electrothermal shrinkage in vivo.

    PubMed

    Wallace, Andrew L; Hollinshead, Robert M; Frank, Cyril B

    2002-01-01

    Deformation of capsular tissue under constant load (creep) may lead to recurrent laxity after thermal shrinkage for shoulder instability. We investigated the effects of thermal shrinkage in a rabbit model in which the tibial insertion of the medial collateral ligament was elevated and shifted toward the joint line to create abnormal laxity. On the right side, radiofrequency electrothermal energy was applied to the shifted ligament, while the left side served as a control. Length, laxity, mass, cross-sectional area, water content, and creep behavior of the ligament were assessed at 0 (N = 8), 3 (N = 7), and 12 (N = 6) weeks postoperatively. Laxity was reduced with thermal treatment (0.65 +/- 0.31 compared with 3.33 +/- 0.25 mm). After 3 weeks, ligament mass, area, and water content were significantly increased in the thermally treated group compared with the untreated controls. At 12 weeks, cyclic creep strain remained greater than that in controls (1.25% +/- 0.65% compared with 0.93% +/- 0.22%). Although thermal shrinkage reduced laxity, there was increased potential to creep and failure at low physiologic stresses. These findings suggest that loading of thermally treated tissues should be carefully controlled during the early phase of rehabilitation after surgery. PMID:11799003

  10. Associations between metals in residential environmental media and exposure biomarkers over time in infants living near a mining-impacted site.

    PubMed

    Zota, Ami R; Riederer, Anne M; Ettinger, Adrienne S; Schaider, Laurel A; Shine, James P; Amarasiriwardena, Chitra J; Wright, Robert O; Spengler, John D

    2016-09-01

    Infant exposures to metals are a concern for mining-impacted communities, although limited information is available to assess residential exposures over the first year of life. We measured lead (Pb), manganese, arsenic, and cadmium in indoor air, house dust, yard soil, and tap water from 53 infants' homes near the Tar Creek Superfund Site (Oklahoma, USA) at two time points representing developmental stages before and during initial ambulation (age 0-6 and 6-12 months). We measured infant metal biomarkers in: umbilical cord blood (n=53); 12- (n=43) and 24- (n=22) month blood; and hair at age 12 months (n=39). We evaluated cross-sectional and longitudinal associations between infant residential and biomarker concentrations. A doubling of mean dust Pb concentration was consistently associated with 36-49% higher 12-month blood Pb adjusting for cord blood Pb (P⩽0.05). Adjusted dust concentration explained 29-35% of blood Pb variance, and consistent associations with other media were not observed. Although concentrations in dust and blood were generally low, strong and consistent associations between dust and body burden suggest that house dust in mining-impacted communities may impact children's health. These relationships were observed at a young age, typically before blood Pb levels peak and when children's development may be particularly vulnerable to toxic insult. PMID:26648247

  11. Solidification of Acidic, High Nitrate Nuclear Wastes by Grouting or Absorption on Silica Gel

    SciTech Connect

    A. K. Herbst; S. V. Raman; R. J. Kirkham

    2004-01-01

    The use of grout and silica gel were explored for the solidification of four types of acidic, high nitrate radioactive wastes. Two methods of grouting were tested: direct grouting and pre-neutralization. Two methods of absorption on silica gel were also tested: direct absorption and rotary spray drying. The waste simulant acidity varied between 1 N and 12 N. The waste simulant was neutralized by pre-blending calcium hydroxide with Portland cement and blast furnace slag powders prior to mixing with the simulant for grout solidification. Liquid sodium hydroxide was used to partially neutralize the simulant to a pH above 2 and then it was absorbed for silica gel solidification. Formulations for each of these methods are presented along with waste form characteristics and properties. Compositional variation maps for grout formulations are presented which help determine the optimum "recipe" for a particular waste stream. These maps provide a method to determine the proportions of waste, calcium hydroxide, Portland cement, and blast furnace slag that provide a waste form that meets the disposal acceptance criteria. The maps guide researchers in selecting areas to study and provide an operational envelop that produces acceptable waste forms. The grouts both solidify and stabilize the wastes, while absorption on silica gel produces a solid waste that will not pass standard leaching procedures (TCLP) if required. Silica gel wastes can be made to pass most leach tests if heated to 600ºC.

  12. Matters of taste: bridging molecular physiology and the humanities.

    PubMed

    Rangachari, P K; Rangachari, Usha

    2015-12-01

    Taste perception was the focus of an undergraduate course in the health sciences that bridged the sciences and humanities. A problem-based learning approach was used to study the biological issues, whereas the cultural transmutations of these molecular mechanisms were explored using a variety of resources (novels, cookbooks, and films). Multiple evaluation procedures were used: problem summaries and problem-solving exercises (tripartite problem-solving exercise) for the problem-based learning component and group tasks and individual exercises for the cultural issues. Self-selected groups chose specific tasks from a prescribed list of options (setting up a journal in molecular gastronomy, developing an electronic tongue, designing a restaurant for synesthetes, organizing a farmers' market, marketing a culinary tour, framing hedonic scales, exploring changing tastes through works of art or recipe books, and crafting beers for space travel). Individual tasks were selected from a menu of options (book reviews, film reviews, conversations, creative writing, and oral exams). A few guest lecturers (wine making, cultural anthropology, film analysis, and nutritional epidemiology) added more flavor. The course was rated highly for its learning value (8.5 ± 1.2, n = 62) and helped students relate biological mechanisms to cultural issues (9.0 ± 0.9, n = 62). PMID:26628651

  13. Geoeffectiveness of Stream Interaction Regions during 2007-2008

    NASA Astrophysics Data System (ADS)

    Sanchez-Garcia, Elsa; Aguilar-Rodriguez, Ernesto; Ontiveros, Veronica

    2016-07-01

    The Stream Interaction Regions (SIRs) are generated in the interplanetary medium when a fast solar wind stream overtakes a slower one. If these large-scale phenomena interact with the Earth's magnetosphere they can give rise to geomagnetic storms (GSs). In this study we analyze the degree of geoeffectiveness of 20 events that were generated by SIRs. The events were observed during the 2007-2008 period that comprising the extended downward phase of solar cycle 23. The degree of geoeffectivity is measured using magnetic indices from different latitudes: PCN (Polar cap north), PCS (polar cap south), AA (antipodal amplitude), AE (Auroral Electrojet), Kp (estimated global index) and Dst (Disturbance storm time). We discuss some results on the correlation of these magnetic indices with the characteristics of shocks associated with the SIRs observed by STEREO-A/B, WIND and ACE spacecraft. All the 20 SIRs events generated GSs with Dst values in ranging from -86 nT up to -12 nT. Moreover, 6 out of the 20 events presented storm sudden commencement (SSC). We also discuss on the characteristics of the SIR-associated shocks and the intensity of the GSs.

  14. Simulation of an advanced techniques of ion propulsion Rocket system

    NASA Astrophysics Data System (ADS)

    Bakkiyaraj, R.

    2016-07-01

    The ion propulsion rocket system is expected to become popular with the development of Deuterium,Argon gas and Hexagonal shape Magneto hydrodynamic(MHD) techniques because of the stimulation indirectly generated the power from ionization chamber,design of thrust range is 1.2 N with 40 KW of electric power and high efficiency.The proposed work is the study of MHD power generation through ionization level of Deuterium gas and combination of two gaseous ions(Deuterium gas ions + Argon gas ions) at acceleration stage.IPR consists of three parts 1.Hexagonal shape MHD based power generator through ionization chamber 2.ion accelerator 3.Exhaust of Nozzle.Initially the required energy around 1312 KJ/mol is carrying out the purpose of deuterium gas which is changed to ionization level.The ionized Deuterium gas comes out from RF ionization chamber to nozzle through MHD generator with enhanced velocity then after voltage is generated across the two pairs of electrode in MHD.it will produce thrust value with the help of mixing of Deuterium ion and Argon ion at acceleration position.The simulation of the IPR system has been carried out by MATLAB.By comparing the simulation results with the theoretical and previous results,if reaches that the proposed method is achieved of thrust value with 40KW power for simulating the IPR system.

  15. Synthesis, structure and optical studies of inorganic–organic hybrid semiconductor, (H{sub 3}NC{sub 6}H{sub 4}CH{sub 2}NH{sub 3}) PbI{sub 4}

    SciTech Connect

    Nageswara Rao, K.; Singh, Amit; Vijaya Prakash, G.

    2014-04-01

    Highlights: • New type of IO hybrid semiconductor has been synthesized and reported. • Inorganic (PbI{sub 4}){sup 2−} nano-ribbons are surrounded by organic entities. • Room-temperature optical exciton and charge-transfer features are reported. • Structural and optical mechanisms are useful in nanoscale electronic devices. - Abstract: Synthesis, structural and optical studies of inorganic–organic (IO) hybrid, 1,2-benzyldiammoniumtetraiodo plumbate (H{sub 3}NC{sub 6}H{sub 4}CH{sub 2}NH{sub 3}) PbI{sub 4} are presented. The titled compound crystallizes into triclinic system of P-1(2) space group with mutually surrounded inorganic (PbI{sub 4}){sup 2−} organic (C{sub 7}H{sub 12}N{sub 2}) entities. These one-dimensional IO hybrids are thermally stable up to 300 °C and show room-temperature exciton along with charge-transfer photoluminescence features. Structural and optical mechanisms are discussed for future applications in nanoscaled optoelectronic devices.

  16. Experiments to Further the Understanding of the Triple-α Process in Hot Astrophysical Scenarios

    NASA Astrophysics Data System (ADS)

    Patel, N. R.; Greife, U.; Rehm, K. E.; Deibel, C. M.; Greene, J.; Henderson, D.; Jiang, C.-L.; Kay, B. P.; Lee, H. Y.; Notani, M.; Pardo, R.; Marley, S. T.; Segal, C. B.; Tang, X. D.

    2008-10-01

    The first 0^+ state of ^12C at 7.654 MeV (the Hoyle state) is the most relevant in the triple-α process for carbon nucleosynthesis. In explosive scenarios such as supernovae, the interference of the Hoyle state with the second 0^+ state located at 10.3 MeV in ^12C becomes significant. The recent NACRE listing assumes a 2^+ resonance at 9.117 MeV for which no experimental evidence exists. The states above 7.654 MeV level in ^12C were populated through the β-decay of ^12B and ^12N produced at the ATLAS in-flight facility at ANL. The decay of ^12C into three alphas is detected in a twin Frisch grid ionization chamber, acting as a calorimeter. This minimizes the effects of β-summing and allowed us to investigate the minimum above the Hoyle state with much higher accuracy than previously possible. A detailed data analysis will include an R-matrix fit to determine an upper limit on the 2^+ resonance. Work is supported by U.S. DOE, ONP under contracts DE-AC02-06CH11357 (ANL), DE-FG02-04R41320 (WMU), NSF grant PHY01-40324, and JINA NSF-PFC grant PHY02-16783.

  17. Experiments to Further the Understanding of the Triple-Alpha Process in Hot Astrophysical Scenarios

    NASA Astrophysics Data System (ADS)

    Patel, N. R.; Greife, U.; Rehm, K. E.; Deibel, C. M.; Greene, J.; Henderson, D.; Jiang, C. L.; Kay, B. P.; Lee, H. Y.; Marley, S. T.; Notani, M.; Pardo, R.; Tang, X. D.; Teh, K.

    2009-03-01

    In astrophysics, the first excited 0+ state of 12C at 7.654 MeV (Hoyle state) is the most important in the triple-α process for carbon nucleosynthesis. In explosive scenarios like supernovae, where temperatures of several 109 K are achieved, the interference of the Hoyle state with the second 0+ state located at 10.3 MeV in 12C becomes significant. The recent NACRE compilation of astrophysical reaction rates assumes a 2+ resonance at 9.1 MeV for which no experimental evidence exists. Thus, it is critical to explore in more detail the 7-10 MeV excitation energy region, especially the minimum between the two 0+ resonances for carbon nucleosynthesis. The states in 12C were populated through the β-decay of 12B and 12N produced at the ATLAS (Argonne Tandem Linac Accelerator System) in-flight facility. The decay of 12C into three alphas is detected in a Frisch grid twin ionization chamber, acting as a low-threshold calorimeter. This minimizes the effects of β-summing and allowed us to investigate the minimum above the Hoyle state with much higher accuracy than previously possible. A detailed data analysis will include an R-matrix fit to determine an upper limit on the 2+ resonance width.

  18. Differences in kinase-mediated regulation of cell cycle progression in normal and transformed cells

    SciTech Connect

    Crissman, H.A.; Gadbois, D.M.; Tobey, R.A.; Stevenson, A.P.; Kraemer, P.M.; Bustos, L.D.; Dickson, J.A.; Bradbury, E.M. )

    1993-01-01

    Staurosporine (Stsp), a general protein kinase inhibitor, was used to investigate the role of kinase-mediated mechanisms in regulating mammalian cell proliferation. Low levels of Stsp (1-2nM) prevented nontransformed cells from entering S phase, indicating that protein phosphorylation processes are essential for commitment of DNA replication in normal cells. Cells resumed cycling when Stsp was removed. The period of sensitivity of nontransformed human diploid fibroblasts to low levels of the drug commenced 3 h later than the G0/G1 boundary and extended through the G1/S boundary. The initial block point at 3 h corresponds neither to the serum nor the amino acid restriction point. In contrast, neither low nor high concentrations (100nm) of Stsp affected G1 progression of transformed cells. High drug concentrations blocked normal cells in G1 and G2 but affected only G2-progression in transformed cells. These results indicate that kinase-mediated regulation of DNA replication is lost as a result of neoplastic transformation, but the G2-arrest mechanism remains intact.

  19. Surface-enhanced Raman spectra study of metal complexes of N- D-glucosamine β-naphthaldehyde and glycine and their interaction with DNA

    NASA Astrophysics Data System (ADS)

    Shen, Jingkai; Ye, Yong; Hu, Jiming; Shen, Haoyu; Le, Zhifeng

    2001-03-01

    Copper(II), zinc(II), cobalt(II) and cobalt(III) complexes of N- D-glucosamine β-naphthaldehyde (C 17H 19O 6N, NG) and glycine were synthesized. The four novel metal complexes, Cu(II)C 19H 28O 11N 2(CuGNG), Zn(II)C 19H 24O 9N 2(ZnGNG), Co(II)C 19H 28O 11N 2(Co(II)GNG) and Co(III)C 21H 29O 12N 2(Co(III)GNG) were characterized by means of infrared (IR), electronic absorption spectroscopy and NMR etc. The surface-enhanced Raman spectra of the four complexes and their interaction with DNA were studied. By comparison of the surface-enhanced Raman spectra (SERS), the information of the four complexes' SER active sites and adsorption orientation were obtained. Combined with fluorescence spectra of Ethidium bromide (EthBr) DNA system, we concluded that none of the four complexes intercalate into DNA and that the presence of the glycine ligand lowered the anticancer activity of NG series complexes.

  20. Two-Dimensional π-Conjugated Covalent-Organic Frameworks as Quantum Anomalous Hall Topological Insulators.

    PubMed

    Dong, Liang; Kim, Youngkuk; Er, Dequan; Rappe, Andrew M; Shenoy, Vivek B

    2016-03-01

    The quantum anomalous Hall (QAH) insulator is a novel topological state of matter characterized by a nonzero quantized Hall conductivity without an external magnetic field. Using first-principles calculations, we predict the QAH state in monolayers of covalent-organic frameworks based on the newly synthesized X_{3}(C_{18}H_{12}N_{6})_{2} structure where X represents 5d transition metal elements Ta, Re, and Ir. The π conjugation between X d_{xz} and d_{yz} orbitals, mediated by N p_{z} and C p_{z} orbitals, gives rise to a massive Dirac spectrum in momentum space with a band gap of up to 24 meV due to strong spin-orbit coupling. We show that the QAH state can appear by chemically engineering the exchange field and the Fermi level in the monolayer structure, resulting in nonzero Chern numbers. Our results suggest a reliable pathway toward the realization of a QAH phase at temperatures between 100 K and room temperature in covalent-organic frameworks. PMID:26991189

  1. Practical long-distance quantum communication using concatenated entanglement swapping

    NASA Astrophysics Data System (ADS)

    Khalique, Aeysha; Tittel, Wolfgang; Sanders, Barry C.

    2013-08-01

    We construct a theory for long-distance quantum communication based on sharing entanglement through a linear chain of N elementary swapping segments of length L=Nl where l is the length of each elementary swap setup. Entanglement swapping is achieved by linear optics, photon counting, and postselection, and we include effects due to multiphoton sources, transmission loss, and detector inefficiencies and dark counts. Specifically we calculate the resultant four-mode state shared by the two parties at the two ends of the chain, and we derive the two-photon coincidence rate expected for this state and thereby the visibility of this long-range-entangled state. The expression is a nested sum with each sum extending from zero to infinite photons, and we solve the case N=2 exactly for the ideal case (zero dark counts, unit-efficiency detectors, and no transmission loss) and numerically for N=2 in the nonideal case with truncation at nmax=3 photons in each mode. For the general case, we show that the computational complexity for the numerical solution is nmax12N.

  2. The anti-Candida activity by Ancillary Proteins of an Enterococcus faecium strain

    PubMed Central

    Roy, Utpal; Chalasani, Ajay G.; Shekh, M. Raeesh

    2015-01-01

    An antimycotic activity toward seven strains of Candida albicans was demonstrated erstwhile by a wild-type Enterococcus faecium isolated from a penguin rookery of the Antarctic region. In the present study the antimicrobial principle was purified by ion exchange and gel permeation chromatography and further was analyzed by LC-ESI-MS/MS. In the purification steps, the dialyzed concentrate and ion exchange fractions inhibited C. albicans MTCC 3958, 183, and SC 5314. However, the gel filtration purified fractions inhibited MTCC 3958 and 183. The data obtained from the LC-ESI-MS/MS indicate that the antimicrobial activity of the anti-Candida protein produced by E. faecium is facilitated by Sag A/Bb for the binding of the indicator organism's cell membrane. Partial N-terminal sequence revealed 12 N-terminal amino acid residues and its analysis shown that it belongs to the LysM motif. The nucleotide sequence of PCR-amplified product could detect 574 nucleotides of the LysM gene responsible for binding to chitin of the cell wall of Candida sp. PMID:26005434

  3. Development of Jacketing Technologies for Iter CS and TF Conductor

    NASA Astrophysics Data System (ADS)

    Hamada, K.; Nakajima, H.; Matsui, K.; Kawano, K.; Takano, K.; Tsutsumi, F.; Okuno, K.; Teshima, O.; Soejima, K.

    2008-03-01

    The Japan Atomic Energy Agency (JAEA) has developed jacketing technologies for ITER Toroidal Field (TF) and Central Solenoid (CS) conductor. Full scale TF and CS conduits were fabricated using carbon-reduced SUS316LN and boron-added (˜40 ppm) high manganese stainless steel (0.025C -22Mn -13Cr -9Ni -0.12N: JK2LB), respectively. Welding condition was optimized so that back bead does not interfere a cable insertion. The weld joint samples were compacted by a compaction machine that was newly constructed and tested at 4.2 K. Mechanical characteristics at 4K of CS, TF conduits and CS welded joint satisfied ITER mechanical requirements. TF welded joint shows slightly lower value of 0.2% yield strength (885 MPa) than that of ITER requirement (900 MPa). The TF conduit contains nitrogen content of 0.14%, which is minimum value in ITER specification. The lower nitrogen content may be caused by the release of nitrogen from molten metal during non-filler welding resulting in a 4 K strength decrease. To satisfy the ITER requirements, minimum nitrogen contents of conduit should be increased from 0.14% to 0.15% at least. Therefore, JAEA successfully developed TF and CS conduits with welding technologies and finalized the procurement specification for ITER conductor jacketing.

  4. Pure Lovelock Kasner metrics

    NASA Astrophysics Data System (ADS)

    Camanho, Xián O.; Dadhich, Naresh; Molina, Alfred

    2015-09-01

    We study pure Lovelock vacuum and perfect fluid equations for Kasner-type metrics. These equations correspond to a single Nth order Lovelock term in the action in d=2N+1,2N+2 dimensions, and they capture the relevant gravitational dynamics when aproaching the big-bang singularity within the Lovelock family of theories. Pure Lovelock gravity also bears out the general feature that vacuum in the critical odd dimension, d=2N+1, is kinematic, i.e. we may define an analogue Lovelock-Riemann tensor that vanishes in vacuum for d=2N+1, yet the Riemann curvature is non-zero. We completely classify isotropic and vacuum Kasner metrics for this class of theories in several isotropy types. The different families can be characterized by means of certain higher order 4th rank tensors. We also analyze in detail the space of vacuum solutions for five- and six dimensional pure Gauss-Bonnet theory. It possesses an interesting and illuminating geometric structure and symmetries that carry over to the general case. We also comment on a closely related family of exponential solutions and on the possibility of solutions with complex Kasner exponents. We show that the latter imply the existence of closed timelike curves in the geometry.

  5. Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors.

    PubMed

    Waldschmidt, Helen V; Homan, Kristoff T; Cruz-Rodríguez, Osvaldo; Cato, Marilyn C; Waninger-Saroni, Jessica; Larimore, Kelly M; Cannavo, Alessandro; Song, Jianliang; Cheung, Joseph Y; Kirchhoff, Paul D; Koch, Walter J; Tesmer, John J G; Larsen, Scott D

    2016-04-28

    G protein-coupled receptors (GPCRs) are central to many physiological processes. Regulation of this superfamily of receptors is controlled by GPCR kinases (GRKs), some of which have been implicated in heart failure. GSK180736A, developed as a Rho-associated coiled-coil kinase 1 (ROCK1) inhibitor, was identified as an inhibitor of GRK2 and co-crystallized in the active site. Guided by its binding pose overlaid with the binding pose of a known potent GRK2 inhibitor, Takeda103A, a library of hybrid inhibitors was developed. This campaign produced several compounds possessing high potency and selectivity for GRK2 over other GRK subfamilies, PKA, and ROCK1. The most selective compound, 12n (CCG-224406), had an IC50 for GRK2 of 130 nM, >700-fold selectivity over other GRK subfamilies, and no detectable inhibition of ROCK1. Four of the new inhibitors were crystallized with GRK2 to give molecular insights into the binding and kinase selectivity of this class of inhibitors. PMID:27050625

  6. Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma cruzi Sterol 14α-Demethylase: Two Regions of the Enzyme Molecule Potentiate Its Inhibition

    PubMed Central

    2015-01-01

    Chagas disease, which was once thought to be confined to endemic regions of Latin America, has now gone global, becoming a new worldwide challenge with no cure available. The disease is caused by the protozoan parasite Trypanosoma cruzi, which depends on the production of endogenous sterols, and therefore can be blocked by sterol 14α-demethylase (CYP51) inhibitors. Here we explore the spectral binding parameters, inhibitory effects on T. cruzi CYP51 activity, and antiparasitic potencies of a new set of β-phenyl imidazoles. Comparative structural characterization of the T. cruzi CYP51 complexes with the three most potent inhibitors reveals two opposite binding modes of the compounds ((R)-6, EC50 = 1.2 nM, vs (S)-2/(S)-3, EC50 = 1.0/5.5 nM) and suggests the entrance into the CYP51 substrate access channel and the heme propionate-supporting ceiling of the binding cavity as two distinct areas of the protein that enhance molecular recognition and therefore could be used for the development of more effective antiparasitic drugs. PMID:25033013

  7. Di-μ-cyanido-tetra­cyanido(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane)[N-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate

    PubMed Central

    Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping

    2013-01-01

    The asymmetric unit of the title complex, [Fe2Ni(C19H12N3O)2(CN)6(C16H36N4)]·2.07H2O, contains one [Fe(qcq)(CN)3]− anion, half a [Ni(teta)]2+ cation and two partially occupied inter­stitial water mol­ecules [qcq− is the N-(quinolin-8-yl)quinoline-2-carboxamidate anion and teta is 5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­deca­ne]. In the complex mol­ecule, two [Fe(qcq)(CN)3]− anions additionally coordinate the central [Ni(teta)]2+ cation through cyanide groups in a trans mode, resulting in a trinuclear structure with the Ni2+ cation lying on an inversion centre. The two inter­stitial water mol­ecules are partially occupied, with occupancy factors of 0.528 (10) and 0.506 (9). O—H⋯O and O—H⋯N hydrogen bonding involving the two lattice water molecules and the carbonyl function and a teta N atom in an adjacent cluster leads to the formation of layers extending parallel to (010). PMID:23723777

  8. Crystal structure of (E)-4-hy­droxy-N′-(3-hy­droxy­benzyl­idene)benzohydrazide monohydrate

    PubMed Central

    Harrison, William T. A.; Low, John Nicolson; Wardell, James L.

    2014-01-01

    In the title benzohydrazide hydrate, C14H12N2O3·H2O, the dihedral angle between the aromatic rings is 58.11 (6)° and the C=O and N—H groups adopt an anti orientation. The main twist in the mol­ecule occurs about the C(=O)—Car (ar = aromatic) bond, with an N—C(=O)—Car—Car torsion angle of −43.5 (2)°. In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds. These inter­actions generate [10-1] chains, with adjacent organic mol­ecules linked by inversion symmetry generating either pairs of N—H⋯O links [R 2 2(16) loops] or pairs of O—H⋯O links [R 2 2(20) loops]. Pairs of water mol­ecules are located in the R 2 2(20) loops and form their own O—H⋯O and O—H⋯N hydrogen bonds to adjacent organic mol­ecules in the chain. Finally, an inter­chain O—H⋯O hydrogen-bond link from the 4-hy­droxy group generates (010) sheets. PMID:25309238

  9. Evidence of 5-HT components in human sperm: implications for protein tyrosine phosphorylation and the physiology of motility

    PubMed Central

    Jiménez-Trejo, Francisco; Tapia-Rodríguez, Miguel; Cerbón, Marco; Kuhn, Donald M; Manjarrez-Gutiérrez, Gabriel; Mendoza-Rodríguez, C Adriana; Picazo, Ofir

    2016-01-01

    Serotonin (5-hydroxytryptamine; C10H12N2O (5-HT)) is produced in the CNS and in some cells of peripheral tissues. In the mammalian male reproductive system, both 5-HT and tryptophan hydroxylase (TPH) have been described in Leydig cells of the testis and in principal cells of the caput epididymis. In capacitated hamster sperm, it has been shown that 5-HT promotes the acrosomal reaction. The aim of this work was to explore the existence of components of the serotoninergic system and their relevance in human sperm physiology. We used both immunocytochemistry and western blot to detect serotoninergic markers such as 5-HT, TPH1, MAOA, 5-HT1B, 5-HT3, and 5HTT; HPLC for TPH enzymatic activity; Computer Assisted Semen Analysis assays to measure sperm motility parameters and pharmacological approaches to show the effect of 5-HT in sperm motility and tyrosine phosphorylation was assessed by western blot. We found the presence of serotoninergic markers (5-HT, TPH1, MAOA, 5-HT1B, 5-HT2A, 5-HT3, 5-HTT, and TPH enzymatic activity) in human sperm. In addition, we observed a significant increase in tyrosine phosphorylation and changes in sperm motility after 5-HT treatment. In conclusion, our data demonstrate the existence of components of a serotoninergic system in human sperm and support the notion for a functional role of 5-HT in mammalian sperm physiology, which can be modulated pharmacologically. PMID:23028123

  10. N13+p elastic resonance scattering via a thick-target method

    NASA Astrophysics Data System (ADS)

    Wang, Y. B.; Wang, B. X.; Qin, X.; Bai, X. X.; Guo, B.; Jiang, C.; Li, Y. J.; Li, Z. H.; Lian, G.; Su, J.; Zeng, S.; Liu, W. P.

    2008-04-01

    The N13+p elastic resonance scattering has been studied in inverse kinematics via a thick-target method. A N13 secondary beam of 47.8±1.5 MeV produced by the H2(C12,N13)n reaction was used to bombard a 9.33 mg/cm2 (CH2)n target. The recoil protons were detected by a ΔE-E silicon counter telescope at θlab=15°. The performance of the setup was checked by C12+p elastic resonance scattering with the same (CH2)n target. The excitation function for the N13(p,p) elastic scattering was obtained in the energy interval of Ec.m.~0.5-3.2 MeV and was analyzed by using a multilevel R-matrix code MULTI7. Several low-lying excited states in O14 were surveyed. Our results confirm a very recent 2- assignment to the 6.8 MeV level and agree with the observation of a new 0- level at 5.7 MeV with a width of 400(45) keV.

  11. Oxidative degradation of the organometallic iron(II) complex [Fe{bis[3-(pyridin-2-yl)-1H-imidazol-1-yl]methane}(MeCN)(PMe3)](PF6)2: structure of the ligand decomposition product trapped via coordination to iron(II).

    PubMed

    Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E

    2015-12-01

    Iron is of interest as a catalyst because of its established use in the Haber-Bosch process and because of its high abundance and low toxicity. Nitrogen-heterocyclic carbenes (NHC) are important ligands in homogeneous catalysis and iron-NHC complexes have attracted increasing attention in recent years but still face problems in terms of stability under oxidative conditions. The structure of the iron(II) complex [1,1'-bis(pyridin-2-yl)-2,2-bi(1H-imidazole)-κN(3)][3,3'-bis(pyridin-2-yl-κN)-1,1'-methanediylbi(1H-imidazol-2-yl-κC(2))](trimethylphosphane-κP)iron(II) bis(hexafluoridophosphate), [Fe(C17H14N6)(C16H12N6)(C3H9P)](PF6)2, features coordination by an organic decomposition product of a tetradentate NHC ligand in an axial position. The decomposition product, a C-C-coupled biimidazole, is trapped by coordination to still-intact iron(II) complexes. Insights into the structural features of the organic decomposition products might help to improve the stability of oxidation catalysts under harsh conditions. PMID:26632838

  12. Hormone affinity and fibril formation of piscine transthyretin: the role of the N-terminal.

    PubMed

    Morgado, Isabel; Melo, Eduardo P; Lundberg, Erik; Estrela, Nídia L; Sauer-Eriksson, A Elisabeth; Power, Deborah M

    2008-11-25

    Transthyretin (TTR) transports thyroid hormones (THs), thyroxine (T4) and triiodothyronine (T3) in the blood of vertebrates. TH-binding sites are highly conserved in vertebrate TTR, however, piscine TTR has a longer N-terminus which is thought to influence TH-binding affinity and may influence TTR stability. We produced recombinant wild type sea bream TTR (sbTTRWT) plus two mutants in which 6 (sbTTRM6) and 12 (sbTTRM12) N-terminal residues were removed. Ligand-binding studies revealed similar affinities for T3 (Kd=10.6+/-1.7nM) and T4 (Kd=9.8+/-0.97nM) binding to sbTTRWT. Affinity for THs was unaltered in sbTTRM12 but sbTTRM6 had poorer affinity for T4 (Kd=252.3+/-15.8nM) implying that some residues in the N-terminus can influence T4 binding. sbTTRM6 inhibited acid-mediated fibril formation in vitro as shown by fluorometric measurements using thioflavine T. In contrast, fibril formation by sbTTRM12 was significant, probably due to decreased stability of the tetramer. Such studies also suggested that sbTTRWT is more resistant to fibril formation than human TTR. PMID:18620020

  13. Eternal inflation, bubble collisions, and the disintegration of the persistence of memory

    NASA Astrophysics Data System (ADS)

    Freivogel, Ben; Kleban, Matthew; Nicolis, Alberto; Sigurdson, Kris

    2009-08-01

    We compute the probability distribution for bubble collisions in an inflating false vacuum which decays by bubble nucleation. Our analysis generalizes previous work of Guth, Garriga, and Vilenkin to the case of general cosmological evolution inside the bubble, and takes into account the dynamics of the domain walls that form between the colliding bubbles. We find that incorporating these effects changes the results dramatically: the total expected number of bubble collisions in the past lightcone of a typical observer is N ~ γ Vf/Vi , where γ is the fastest decay rate of the false vacuum, Vf is its vacuum energy, and Vi is the vacuum energy during inflation inside the bubble. This number can be large in realistic models without tuning. In addition, we calculate the angular position and size distribution of the collisions on the cosmic microwave background sky, and demonstrate that the number of bubbles of observable angular size is NLS ~ (Ωk)1/2N, where Ωk is the curvature contribution to the total density at the time of observation. The distribution is almost exactly isotropic.

  14. Electrostatic MEMS vibration energy harvester for HVAC applications

    NASA Astrophysics Data System (ADS)

    Oxaal, J.; Hella, M.; Borca-Tasciuc, D.-A.

    2015-12-01

    This paper reports on an electrostatic MEMS vibration energy harvester with gapclosing interdigitated electrodes, designed for and tested on HVAC air ducts. The device is fabricated on SOI wafers using a custom microfabrication process. A dual-level physical stopper system is implemented in order to control the minimum gap between the electrodes and maximize the power output. It utilizes cantilever beams to absorb a portion of the impact energy as the electrodes approach the impact point, and a film of parylene with nanometer thickness deposited on the electrode sidewalls, which defines the absolute minimum gap and provides electrical insulation. The fabricated device was first tested on a vibration shaker to characterize its resonant behavior. The device exhibits spring hardening behavior due to impacts with the stoppers and spring softening behavior with increasing voltage bias. Testing was carried out on HVAC air duct vibrating with an RMS acceleration of 155 mgRMS and a primary frequency of 60 Hz with a PSD of 7.15·10-2 g2/Hz. The peak power measured is 12nW (0.6 nW RMS) with a PSD of 6.9·10-11 W/Hz at 240 Hz (four times of the primary frequency of 60 Hz), which is the highest output reported for similar vibration conditions and biasing voltages.

  15. Local invertible analytic solutions for an iterative differential equation related to a discrete derivatives sequence

    NASA Astrophysics Data System (ADS)

    Si, Jianguo; Zhao, Houyu

    2007-11-01

    In this paper, we are concerned with the existence of analytic solutions of a class of iterative differential equation in the complex field , where , , fi(z) denotes ith iterate of f(z), i=1,2,...,n. The above equation is closely related to a discrete derivatives sequence F'(m) (see [Y.-F.S. Pétermann, Jean-Luc Rémy, Ilan Vardi, Discrete derivative of sequences, Adv. in Appl. Math. 27 (2001) 562-584]). We first give the existence of analytic solutions of the form of power functions for such an equation. Then by constructing a convergent power series solution y(z) of an auxiliary equation of the formx'(z)=K[alpha]x'([alpha]z)(x([alpha]z))a1(x([alpha]2z))a2...(x([alpha]nz))an, invertible analytic solutions of the form f(z)=x([alpha]x-1(z)) for the original equation are obtained. We discuss not only the constant [alpha] at resonance, i.e. at a root of the unity, but also those [alpha] near resonance (near a root of the unity) under the Brjuno condition.

  16. Highly sensitive analysis of catecholamines by counter-flow electrokinetic supercharging in the constant voltage mode.

    PubMed

    Kwon, Joon Yub; Chang, Seo Bong; Jang, Yong Oh; Dawod, Mohamed; Chung, Doo Soo

    2013-06-01

    Electrokinetic supercharging is one of the most powerful sample-stacking methods that combines field amplified sample injection and transient ITP. In counter-flow electrokinetic supercharging, a constant counter pressure is applied during sample injection in order to counterbalance the movement of the injected sample zone. As a result, there will be a pronounced increase in the amount of sample injected and the portion of the capillary available for electrophoresis. In this report, counter-flow electrokinetic supercharging optimization factors such as the electric field application in the constant voltage and constant current modes, the magnitude of counter pressure, and the terminating electrolyte concentrations were investigated. The enrichments obtained with a 30 min injection of 10 nM catecholamines in 5 mM terminating electrolyte solution in the constant voltage mode applying a counter pressure of 1.3 psi were 41,000-fold for dopamine, 50,000-fold for norepinephrine, and 32,000-fold for epinephrine, yielding detection limits of 1.3, 1.4, and 1.2 nM, respectively, with absorbance detection at 200 nm. PMID:23568890

  17. Pre-Teen Alcohol Use as a Risk Factor for Victimization and Perpetration of Bullying among Middle and High School Students in Georgia

    PubMed Central

    Swahn, Monica H.; Topalli, Volkan; Ali, Bina; Strasser, Sheryl M.; Ashby, Jeffrey S.; Meyers, Joel

    2011-01-01

    Objective: We examined the association between pre-teen alcohol use initiation and the victimization and perpetration of bullying among middle and high school students in Georgia. Methods: We computed analyses using data from the 2006 Georgia Student Health Survey (N=175,311) of students in grades 6, 8, 10 and 12. The current analyses were limited to students in grades 8, 10 and 12 (n=122,434). We used multilogistic regression analyses to determine the associations between early alcohol use and reports of both victimization and perpetration of bullying, perpetration only, victimization only, and neither victimization or perpetration, while controlling for demographic characteristics, other substance use, peer drinking and weapon carrying. Results: Pre-teen alcohol use initiation was significantly associated with both bullying perpetration and victimization relative to non drinkers in bivariate analyses (OR=3.20 95%CI:3.03–3.39). The association was also significant between pre-teen alcohol use initiation and perpetration and victimization of bullying in analyses adjusted for confounders (Adj.OR=1.74; 95%CI:1.61–1.89). Overall, findings were similar for boys and girls. Conclusion: Pre-teen alcohol use initiation is an important risk factor for both the perpetration and victimization of bullying among boys and girls in Georgia. Increased efforts to delay and reduce early alcohol use through clinical interventions, education and policies may also positively impact other health risk behaviors, including bullying. PMID:21731787

  18. Molecularly imprinted polymers combination with deep eutectic solvents for solid-phase extraction of caffeic acid from hawthorn.

    PubMed

    Li, Guizhen; Tang, Weiyang; Cao, Weimin; Wang, Qian; Zhu, Tao

    2015-08-01

    Molecularly imprinted polymers (MIPs) with caffeic acid as template and non-imprinted polymers (NIPs) materials were prepared in the same procedure. Field emission scanning electron microscopy (FE-SEM) and adsorption capacity test were used to evaluate characteristic of the new materials. MIPs, NIPs and C18 were used for rapid purification of caffeic acid from hawthorn with solid-phase extraction ( SPE) , and extract yields of caffeic acid with the proposed materials were 3.46 µg/g, 1.01 µg/g and 1.17 µg/g, respectively. To optimize the MIPs-SPE procedures, different kinds of elution solutions were studied. Deep eutectic solvents (DESs) were prepared by choline chloride (ChCl)-glycerol (1/2, n/n) and choline chloride-urea (1/ 2, n/n). Methanol was mixed with the two kinds of DESs (glycerol-based DESs, urea-based DESs) in different ratios (0.5:1, 1:1, 2:1, 3:1, 4:1, 5:1, v/v), and they were used to investigated as elution solutions in the above MIPs-SPE procedures. The results showed that MIPs were potential SPE materials, and methanol/ glycerol-based DESs (3 :1, v/v) had the best elution capability with the recovery of 82.32%. PMID:26749853

  19. Application of deuteron-deuteron (D-D) fusion neutrons to 40Ar/39Ar geochronology.

    PubMed

    Renne, Paul R; Knight, Kim B; Nomade, Sébastien; Leung, Ka-Ngo; Lou, Tak-Pui

    2005-01-01

    Neutron irradiation of samples for 40Ar/39Ar dating in a 235U fission reactor requires error-producing corrections for the argon isotopes created from Ca, K, and, to a lesser extent, Cl. The fission spectrum includes neutrons with energies above 2-3 MeV, which are not optimal for the 39K(n,p)39Ar reaction. These higher-energy neutrons are responsible for the largest recoil displacements, which may introduce age artifacts in the case of fine-grained samples. Both interference corrections and recoil displacements would be significantly reduced by irradiation with 2.45 MeV neutrons, which are produced by the deuteron-deuteron (D-D) fusion reaction 2H(d,n)3He. A new generation of D-D reactors should yield sufficiently high neutron fluxes (>10(12) n cm(-2)s(-1)) to be useful for 40Ar/39Ar dating. Modeling indicates that irradiation with D-D neutrons would result in scientific benefits of improved accuracy and broader applicability to fine-grained materials. In addition, radiological safety would be improved, while both maintenance and operational costs would be reduced. Thus, development of high-flux D-D fusion reactors is a worthy goal for 40Ar/39Ar geochronology. PMID:15498681

  20. Associations of parental and peer characteristics with adolescents' social dominance orientation.

    PubMed

    Cross, Jennifer Riedl; Fletcher, Kathryn L

    2011-06-01

    Studies with adults of social dominance orientation (SDO), a preference for inequality among social groups, have found correlations with various prejudices and support for discriminatory practices. This study explores the construct among adolescents at an age when they are beginning to recognize the social groups in their environment, particularly adolescent crowds. The relationship of SDO and perceptions of parents' responsiveness and demandingness were also investigated. Subjects were in grades 9-12 (N = 516, 53% female, 96% White). Mother's and father's responsiveness significantly predicted adolescent's SDO scores, with greater perceived responsiveness associated with lower SDO. To analyze the multiple crowd memberships of the 76% belonging to more than one crowd, two-step cluster analysis was used to identify patterns, resulting in 8 clusters of distinct, heterogeneous composition. SDO differed significantly among males in different clusters, but not females. The importance of membership was positively associated with SDO among high-status crowds and negatively associated with SDO among the academic and normal crowds. The findings have implications for prejudices that may be developing in adolescence and indicate a need for further research into the social context of SDO and its development. PMID:20820895