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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. 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.

  10. 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.

  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. 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.

  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. 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

  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-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.

  16. 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.

  17. 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

  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. 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.

  4. 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

  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. 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

  15. 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.

  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. 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.

  2. 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

  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 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

  6. 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

  7. 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

  8. 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.

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. 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.

  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. 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

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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...

  12. 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.

  13. 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.

  14. 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.

  15. 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...

  16. 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…

  17. 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...

  18. 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…

  19. 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

  20. 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…

  1. 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'…

  2. 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,…

  3. 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...

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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'…

  9. 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…

  10. 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...

  11. 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...

  12. 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…

  13. 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...

  14. 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,...

  15. 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…

  16. 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...

  17. 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...

  18. 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...

  19. 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...

  20. 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...

  1. 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...

  2. 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,...

  3. 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...

  4. 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''...

  5. 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…

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 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...

  12. 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...

  13. 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 ...

  14. 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…

  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, 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...

  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, 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...

  17. 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...

  18. 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...

  19. 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...

  20. 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…

  1. 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

  2. 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…

  3. 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

  4. 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…

  5. 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…

  6. 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...

  7. 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...

  8. 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).…

  9. 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...

  10. 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…

  11. 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…

  12. 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)

  13. 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...

  14. 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...

  15. 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…

  16. 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…

  17. 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...

  18. 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...

  19. 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...

  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. 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.

  5. 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.

  6. 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.

  7. 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

  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. 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.

  10. 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.

  11. 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.

  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. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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

  18. 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

  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. 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\\,...

  6. 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

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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...

  15. 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

  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. 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.

  19. 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

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  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. 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.

  9. 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

  10. 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

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. 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

  7. (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

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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 .

  19. 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.

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. 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