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Sample records for 12n 12b-aktivatsionnogo detektirovaniya

  1. Stability and aromaticity of nH2@B12N12 (n=1–12) clusters

    PubMed Central

    Giri, Santanab; Chakraborty, Arindam; Chattaraj, Pratim K.

    2011-01-01

    Standard ab initio and density functional calculations are carried out to determine the structure, stability, and reactivity of B12N12 clusters with hydrogen doping. To lend additional support, conceptual DFT-based reactivity descriptors and the associated electronic structure principles are also used. Related cage aromaticity of this B12N12 and nH2@B12N12 are analyzed through the nucleus independent chemical shift values. PMID:22110872

  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. An all-purpose building block: B12N12 fullerene

    NASA Astrophysics Data System (ADS)

    Li, J. L.; He, T.; Yang, G. W.

    2012-02-01

    We have theoretically shown that the boron nitride fullerene cage B12N12 is an all-purpose building block for fabricating multifarious BN nanotubes. Firstly, we investigated the stability and structural of the boron nitride fullerene cage B12N12 and the polymerized derivatives obtained from it. Interestingly we found out that two B12N12 cages can spontaneously form one BN nanotube with two closed ends through the structural transformation when one cage meets another. These results indicated that the fullerene B12N12 can be polymerized to build various remarkable polymers through the spontaneous structural transformation when they are together, which all have planer or tridimensional shapes with a hollow tubular structure, even at the juncture of the coalesced B12N12. Simultaneously, after the structure optimization, the quadrangles at the juncture of the coalesced B12N12 disappear to form a perfect surface only composed of hexagons. Then, we calculated the energy of all the considered nanostructures. The polymerization of the fullerene B12N12 is exothermic and thus can form very stable derivative polymers. These theoretical conclusions stimulate us to use the fullerene B12N12 as an all-purpose building block to construct various BN nanostructures for purpose of fundamental research and potential applications.

  4. YpT1-2N0 rectal cancer after neoadjuvant chemoradiation has lower survival compared with pT1-2N0 rectal cancer

    PubMed Central

    Wan, Jue-feng; Zhu, Ji; Li, Gui-chao; Sun, Wen-jie; Zhang, Zhen

    2015-01-01

    Pathologic T1-2N0 rectal cancer shows an excellent prognosis without preoperative or postoperative chemoradiation. However, oncologic outcome of ypT1-2N0 remains unclear and undetermined. Thus, the aim of this study was to compare the survival of ypT1-2 and pT1-2 rectal cancer patients after radical resection and identify risk factors of ypT1-2 rectal cancer in Surveillance, Epidemiology, and End Results Program (SEER)-registered rectal cancer patients. The results showed that ypT1-2N0 rectal cancer after neoadjuvant chemoradiation has lower survival compared with pT1-2N0 rectal cancer and mucinous/signet-ring cancer and less than 12 lymph nodes retrieval were two risk factors in ypT1-2 patients. These results suggest that ypT1-2 patients with one or two risk factors may benefit from postoperative adjuvant chemotherapy. PMID:26517674

  5. A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages.

    PubMed

    Beheshtian, Javad; Bagheri, Zargham; Kamfiroozi, Mohammad; Ahmadi, Ali

    2012-06-01

    The stability, geometry and electronic structure of the title nanoclusters were compared by using density functional theory (DFT) calculations. Their electrical property analysis showed that the relative magnitude of the HOMO-LUMO gaps (eV) that are average values from the calculated results with five different DFT functionals is as follows: B12N12(7:02)>Al12N12(4.09)>B12P12(3.80)>Al12P12(3.39). Computing the standard enthalpy and the Gibbs free energy of formation, it was found that the B(12)N(12) structure is thermodynamically stable at 298 K and 1 atmosphere of pressure, while the Al(12)N(12) structure may be stable at low temperatures. Due to positive values of change of enthalpy and entropy of formation for both the B(12)P(12) and Al(12)P(12) clusters, it seems that their formation from the consisting atoms is not spontaneous at any temperature.

  6. Geology of the Rainier Mesa-Aqueduct Mesa tunnel areas: U12n tunnel

    SciTech Connect

    Hoover, D.L.; Magner, J.E.

    1990-01-01

    The U12n tunnel area is located beneath Rainier Mesa on the Nevada Test Site, Nye County, Nevada. Stratigraphic units in the U12n area include Precambrian and Cambrian quartzite, Ordovician to Devonian dolomite and limestone, Cretaceous quartz monzonite, 25 Miocene and Pliocene volcanic rock units, and Quaternary colluvium and alluvium. Volcanic rocks in drill holes are classified into two chemical groups, four depositional processes, and four alteration types. Alteration of the volcanic rocks to predominantly zeolites, clay minerals, or silica is related to both stratigraphy and structure. Pre-volcanic structures are the CP thrust fault, a right-lateral fault zone that can be projected into the U12n area, and the Gold Meadows stock; Tertiary structures are depositional folds and predominantly normal faults. The right-lateral fault zone may have provided pre-existing planes of weakness during Tertiary deformation that resulted in west-northwest to northwest normal faults in the U12n area in contrast to north-south to north-northeast faults north and south of the U12n area. Normal faults at tunnel level have displacements that range from less than 3 to 125 ft or more. The Tertiary volcanic rocks were deposited on a pre-Tertiary, steep-sided drainage system and formed depositional folds. The Rainier Mesa depositional syncline is the major structures in the U12n area in addition to the normal faults. Drill-hole data indicate that the axis of syncline in the volcanic rocks parallels the contact between quartzite in the upper plate and dolomite and limestone in the lower plate of the CP thrust fault. 29 refs., 6 figs., 10 tabs.

  7. 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.

  8. 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.

  9. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2013-08-01

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

  11. 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}.

  12. 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.

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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.

  18. US Geological Survey investigations in the U12n. 03 drift, Rainier Mesa, Area 12, Nevada Test Site, Nevada

    SciTech Connect

    Ege, J.R.; Carroll, R.D.; Magner, J.E.; Cunningham, D.R.

    1980-01-01

    The U12n.03 drift was designed for a nuclear test site and mining was started on April 18, 1966, and completed May 22, 1967. The drift was driven along a bearing of N. 26/sup 0/ W. at an elevation of 1849.2 m (6067 ft) to a total length of 660.2 m (2166 ft). The drift lies entirely within tunnel bed 4 of Tertiary age and crosses at nearly right angles, the Aqueduct syncline, a prominent geologic feature in Rainier Mesa. A combination of faults cutting nearly parallel to the drift, weak clay-rich tuff, and excessive ground water, all occurring in the trough of the syncline caused severe construction and support problems. These geologic factors created weak plastic rock that resulted in swelling and squeezing ground. Remedial measures were initiated that only temporarily stabilized ground and water conditions. The drift was eventually abandoned for the purposes of a nuclear test site and was subsequently used as a water storage facility. The US Geological Survey performed seismic velocity, electrical resistivity, and geologic surveys in the U12n.03 drift to provide information needed for site evaluation. Electrical resistivity measurements indicate that sections of rock which may be potentially unstable for tunnel construction due to the presence of clay may be defined by this technique.

  19. 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

  20. 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.

  1. A first-principles study on the adsorption behavior of amphetamine on pristine, P- and Al-doped B12N12 nano-cages

    NASA Astrophysics Data System (ADS)

    Bahrami, Aidin; Seidi, Shahram; Baheri, Tahmineh; Aghamohammadi, Mohammad

    2013-12-01

    The first-principles computations using density functional theory (DFT) calculations at the M062X/6-311++G** level have been applied to scrutinize the adsorption behavior of amphetamine (AMP) molecule on the external surface of pristine, P- and Al-doped B12N12 nano-cages. In order to gain insight into the binding features of pristine and doped B12N12 complexes as adsorbent with AMP, the structural and electronic parameters as well as the Atoms in Molecules (AIM) properties were examined. The results showed that AMP prefers to adsorb via its nitrogen atom on the Lewis acid sites of B and Al atoms of the nano-cages. On the basis of calculated density of states, the interaction of AMP with the external wall of B12N12 leads to the remarkable differences in their conductivities. Presence of polar solvent increases the AMP adsorption on the nano-cage. In addition, AIM based analyses indicated an electrostatic nature for N-B interaction in Amph-B12N12 and partial covalent for N-Al in AMP-B11AlN12. Based on calculated results, the B12N12 and B11AlN12 nano-cages are expected to be a potential efficient adsorbent as well as sensors for adsorption of AMP in environmental systems.

  2. 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

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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)

  9. Doping the alkali atom: an effective strategy to improve the electronic and nonlinear optical properties of the inorganic Al12N12 nanocage.

    PubMed

    Niu, Min; Yu, Guangtao; Yang, Guanghui; Chen, Wei; Zhao, Xingang; Huang, Xuri

    2014-01-01

    Under ab initio computations, several new inorganic electride compounds with high stability, M@x-Al12N12 (M = Li, Na, and K; x = b66, b64, and r6), were achieved for the first time by doping the alkali metal atom M on the fullerene-like Al12N12 nanocage, where the alkali atom is located over the Al-N bond (b66/b64 site) or six-membered ring (r6 site). It is revealed that independent of the doping position and atomic number, doping the alkali atom can significantly narrow the wide gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) (EH-L = 6.12 eV) of the pure Al12N12 nanocage in the range of 0.49-0.71 eV, and these doped AlN nanocages can exhibit the intriguing n-type characteristic, where a high energy level containing the excess electron is introduced as the new HOMO orbital in the original gap of pure Al12N12. Further, the diffuse excess electron also brings these doped AlN nanostructures the considerable first hyperpolarizabilities (β0), which are 1.09 × 10(4) au for Li@b66-Al12N12, 1.10 × 10(4), 1.62 × 10(4), 7.58 × 10(4) au for M@b64-Al12N12 (M = Li, Na, and K), and 8.89 × 10(5), 1.36 × 10(5), 5.48 × 10(4) au for M@r6-Al12N12 (M = Li, Na, and K), respectively. Clearly, doping the heavier Na/K atom over the Al-N bond can get the larger β0 value, while the reverse trend can be observed for the series with the alkali atom over the six-membered ring, where doping the lighter Li atom can achieve the larger β0 value. These fascinating findings will be advantageous for promoting the potential applications of the inorganic AlN-based nanosystems in the new type of electronic nanodevices and high-performance nonlinear optical (NLO) materials.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Neutron scattering evidence for isolated spin-1/2 ladders in (C5D12N)2CuBr4

    SciTech Connect

    Savici, Andrei T; Granroth, Garrett E; Broholm, Collin L; Pajerowski, Daniel M.; Brown, Craig; Talham, Daniel R.; Meisel, Mark W.; Schmidt, K. P.; Uhrig, G. S.; Nagler, Stephen E

    2009-01-01

    Inelastic neutron scattering was used to determine the spin Hamiltonian for the singlet ground state system (C5D12N)2CuBr4 (BPCB). A 2-leg spin 1/2 ladder model, with J? = 1:084 0:005 meV and Jk = 0:321 0:008 meV, accurately describes the data. The experimental limit on the inter-ladder exchange constant is jJ0j 0.005 meV, and the limit on diagonal, intra-ladder exchange is jJF j 0.1 meV. The experimental ratios of intra-ladder bond energies are consistent with the predictions of continuous unitary transformations calculations.

  15. 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…

  16. 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.

  17. Increased Risk of Locoregional Recurrence for Women With T1-2N0 Triple-Negative Breast Cancer Treated With Modified Radical Mastectomy Without Adjuvant Radiation Therapy Compared With Breast-Conserving Therapy

    PubMed Central

    Abdulkarim, Bassam S.; Cuartero, Julie; Hanson, John; Deschênes, Jean; Lesniak, David; Sabri, Siham

    2011-01-01

    Purpose To evaluate the risk of locoregional recurrence (LRR) associated with locoregional treatment of women with primary breast cancer tumors negative for estrogen receptor, progesterone receptor, and human epidermal growth factor receptor 2 (triple-negative breast cancer [TNBC]). Patients and Methods Patients diagnosed with TNBC were identified from a cancer registry in a single institution (n=768). LRR-free survival was estimated using Kaplan-Meier analysis. The Cox proportional hazards regression model was used to determine risk of LRR on the basis of locoregional management: breast-conserving therapy (BCT; ie, lumpectomy and adjuvant radiation therapy [RT]) and modified radical mastectomy (MRM) in the TNBC population and T1-2N0 subgroup. Results At a median follow-up of 7.2 years, 77 patients (10%) with TNBC developed LRR. Five-year LRR-free survival was 94%, 85%, and 87% in the BCT, MRM, and MRM + RT groups, respectively (P < .001). In multivariate analysis, MRM (compared with BCT), lymphovascular invasion and lymph node positivity were associated with increased LRR. Conversely, adjuvant chemotherapy was associated with decreased risk of LRR. For patients with T1-2N0 tumors, 5-year LRR-free survival was 96% and 90% in the BCT and MRM groups, respectively (P =.027), and MRM was the only independent prognostic factor associated with increased LRR compared with BCT (hazard ratio, 2.53; 95% CI, 1.12 to 5.75; P= .0264). Conclusion Women with T1-2N0 TNBC treated with MRM without RT have a significant increased risk of LRR compared with those treated with BCT. Prospective studies are warranted to investigate the benefit of adjuvant RT after MRM in TNBC. PMID:21670451

  18. Effect of the rolling temperature on the structure and the mechanical properties of high-nitrogen austenitic steels 05Kh21G9N7AMF and 04Kh22G12N4AMF

    NASA Astrophysics Data System (ADS)

    Blinov, V. M.; Voznesenskaya, N. M.; Bannykh, I. O.; Tonasheva, O. A.; Blinov, E. V.; Zvereva, T. N.

    2016-04-01

    The structure and the mechanical properties of high-nitrogen austenitic 05Kh21G9N7AMF (0.56% N) and 04Kh22G12N4AMF (0.49% N) steels have been studied after hot rolling. It is found that the temperatures of the onset and end of hot deformation influence the structure and the mechanical properties of these steels. The higher set of mechanical properties of steel 05Kh21G9N7AMF after rolling in the temperature range 1100-900°C is due to the formation of a lamellar and equiaxed fragmented structure.

  19. Structural, elastic, and electronic properties of icosahedral boron subcarbides (B12C3, B13C2), subnitride B12N2, and suboxide B12O2 from data of SCC-DFTB calculations

    NASA Astrophysics Data System (ADS)

    Enyashin, A. N.; Ivanovskii, A. L.

    2011-08-01

    The structural, elastic, and electronic properties of a series of icosahedral phases, such as boron subcarbides B12C3 and B13C2, subnitride B12N2, and suboxide B12O2, have been studied in the framework of the SCC-DFTB method. It has been found that the B12C2 and B13C2 phases manifest metal-like properties, while B12C3 and B12O2 are semiconductors. The estimates have shown that the insertion of 2 p atoms (C, N, or O) into intericosahedral pores of elemental boron can cause both a decrease in its elastic modulus (an increase in the compressibility of B12N2) and a sharp increase in the modulus B (in subcarbides B12C3 and B12BCC). On the other hand, the insertion of 2 p atoms into α-B12 will favor an increase in its hardness (suboxide B12O2 will have a maximum hardness).

  20. A class of infinite-dimensional representations of the Lie superalgebra \\mathfrak{o}\\mathfrak{s}\\mathfrak{p}(2m+1|2n) and the parastatistics Fock space

    NASA Astrophysics Data System (ADS)

    Stoilova, N. I.; Van der Jeugt, J.

    2015-04-01

    An orthogonal basis of weight vectors for a class of infinite-dimensional representations of the orthosymplectic Lie superalgebra osp(2m+1|2n) is introduced. These representations are particular lowest weight representations V(p), with a lowest weight of the form ≤ft[ -\\frac{p}{2},\\ldots ,-\\frac{p}{2}|\\frac{p}{2},\\ldots ,\\frac{p}{2} \\right], p being a positive integer. Explicit expressions for the transformation of the basis under the action of algebra generators are found. Since the relations of algebra generators correspond to the defining relations of m pairs of parafermion operators and n pairs of paraboson operators with relative parafermion relations, the parastatistics Fock space of order p is also explicitly constructed. Furthermore, the representations V(p) are shown to have interesting characters in terms of supersymmetric Schur functions, and a simple character formula is also obtained.

  1. 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.

  2. 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.

  3. 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.

  4. A layered fluorinated gallium phosphate organically templated by propane-1,3-diaminium, an analog of the aluminophosphate MIL-12: Ga2(PO4)F5.C3H12N2.

    PubMed

    Loiseau, Thierry; Ferey, Gerard

    2005-06-01

    Crystals of the oxyfluorinated gallium phosphate MIL-12 (digallium phosphate pentafluoride propane-1,3-diaminium), (C3H12N2)[Ga2(PO4)F5], were synthesized hydrothermally at 453 K under autogenous pressure using propane-1,3-diamine as the structure-directing agent. The title compound is isomorphous with the aluminium phosphate having the MIL-12 structural type. The structure is built up from a two-dimensional anionic network intercalated by the diamine species. The inorganic layer is composed of corner-linked GaO2F4 octahedra and PO4 tetrahedra. The diprotonated diamine group is located on a mirror plane, between the inorganic sheets, and interacts preferentially via hydrogen bonding through the ammonium groups and the terminal F and bridging O atoms of the inorganic layer. One of the Ga atoms lies on an inversion centre and the other lies on a mirror plane, as does the P atom, two of the phosphate O atoms and one of the F atoms. PMID:15930677

  5. 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.

  6. Synchrotron X-ray charge density study of coordination polymer Co3(C8H4O4)4(C4H12N)2(C5H11NO)3 at 16 K.

    PubMed

    Clausen, H F; Overgaard, J; Chen, Y S; Iversen, B B

    2008-06-25

    The charge density (CD) of coordination polymer Co3(C8H4O4)4(C4H12N)2(C5H11NO)3 (1) has been determined from multipole modeling of structure factors obtained from single-crystal synchrotron X-ray diffraction measurements at 16 K. The crystal structure formally contains a negatively charged framework with cations and neutral molecules in the voids. However, the CD suggests that the framework is close to neutral, and therefore qualitative conclusions based on formal charge counting, e.g., about guest inclusion properties, will be incorrect. There are considerable differences in the charge distributions of the three unique benzenedicarboxylic acid linkers, which are widely used in coordination polymers. This suggests that the electrostatic properties of coordination polymer cavities, and thereby their inclusion properties, are highly tunable. The electron density topology shows that the tetrahedrally coordinated Co atom has an atomic volume which is 15% larger than that of the octahedrally coordinated Co atom. The crystal structure has both ferromagnetic and antiferromagnetic interactions, but no direct metal-metal bonding is evidenced in the CD. The magnetic ordering therefore takes place through superexchange in the oxygen bridges and the aromatic linkers. Bonding analysis of the experimental CD reveals that two oxygen atoms, O(1) and O(11), have significant covalent contributions to the metal-ligand bonding, whereas all other oxygen atoms have closed-shell interactions with the metals. This indicates that these two oxygen atoms are the key mediators of the magnetic ordering. PMID:18512920

  7. 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.

  8. 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

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. Synchrotron X-ray Charge Density Study of Coordination Polymer Co[subscript 3](C[subscript 8]H[subscript 4]O[subscript 4])[subscript 4[(C[subscirpt 4]H[subscript 12]N)[subscript 2](C[subscript 5]H[subscript 11]NO)[subscript 3] at 16 K

    SciTech Connect

    Clausen, H.F.; Overgaard, J.; Chen, Y.S.; Iversen, B.B.

    2008-08-21

    The charge density (CD) of coordination polymer Co{sub 3}(C{sub 8}H{sub 4}O{sub 4}){sub 4}(C{sub 4}H{sub 12}N){sub 2}(C{sub 5}H{sub 11}NO){sub 3} (1) has been determined from multipole modeling of structure factors obtained from single-crystal synchrotron X-ray diffraction measurements at 16 K. The crystal structure formally contains a negatively charged framework with cations and neutral molecules in the voids. However, the CD suggests that the framework is close to neutral, and therefore qualitative conclusions based on formal charge counting, e.g., about guest inclusion properties, will be incorrect. There are considerable differences in the charge distributions of the three unique benzenedicarboxylic acid linkers, which are widely used in coordination polymers. This suggests that the electrostatic properties of coordination polymer cavities, and thereby their inclusion properties, are highly tunable. The electron density topology shows that the tetrahedrally coordinated Co atom has an atomic volume which is 15% larger than that of the octahedrally coordinated Co atom. The crystal structure has both ferromagnetic and antiferromagnetic interactions, but no direct metal-metal bonding is evidenced in the CD. The magnetic ordering therefore takes place through superexchange in the oxygen bridges and the aromatic linkers. Bonding analysis of the experimental CD reveals that two oxygen atoms, O(1) and O(11), have significant covalent contributions to the metal-ligand bonding, whereas all other oxygen atoms have closed-shell interactions with the metals. This indicates that these two oxygen atoms are the key mediators of the magnetic ordering.

  14. Synthesis of paucimannose N-glycans by Caenorhabditis elegans requires prior actions of UDP-N-acetyl-D-glucosamine:alpha-3-D-mannoside beta1,2-N-acetylglucosaminyltransferase I, alpha3,6-mannosidase II and a specific membrane-bound beta-N-acetylglucosaminidase.

    PubMed Central

    Zhang, Wenli; Cao, Pinjiang; Chen, Shihao; Spence, Andrew M; Zhu, Shaoxian; Staudacher, Erika; Schachter, Harry

    2003-01-01

    We have previously reported three Caenorhabditis elegans genes ( gly-12, gly-13 and gly-14 ) encoding UDP- N -acetyl-D-glucosamine:alpha-3-D-mannoside beta1,2- N -acetylglucosaminyltransferase I (GnT I), an enzyme essential for hybrid and complex N-glycan synthesis. GLY-13 was shown to be the major GnT I in worms and to be the only GnT I cloned to date which can act on [Manalpha1,6(Manalpha1,3)Manalpha1,6](Manalpha1,3)Manbeta1, 4GlcNAcbeta1,4GlcNAc-R, but not on Manalpha1,6(Manalpha1,3)Manbeta1- O -R substrates. We now report the kinetic constants, bivalent-metal-ion requirements, and optimal pH, temperature and Mn(2+) concentration for this unusual enzyme. C. elegans glycoproteins are rich in oligomannose (Man(6-9)GlcNAc(2)) and 'paucimannose' Man(3-5)GlcNAc(2)(+/-Fuc) N-glycans, but contain only small amounts of complex and hybrid N-glycans. We show that the synthesis of paucimannose Man(3)GlcNAc(2) requires the prior actions of GnT I, alpha3,6-mannosidase II and a membrane-bound beta- N -acetylglucosaminidase similar to an enzyme previously reported in insects. The beta- N -acetylglucosaminidase removes terminal N -acetyl-D-glucosamine from the GlcNAcbeta1, 2Manalpha1,3Manbeta- arm of Manalpha1,6(GlcNAcbeta1,2Manalpha1,3) Manbeta1,4GlcNAcbeta1,4GlcNAc-R to produce paucimannose Man(3)GlcNAc(2) N-glycan. N -acetyl-D-glucosamine removal was inhibited by two N -acetylglucosaminidase inhibitors. Terminal GlcNAc was not released from [Manalpha1,6(Manalpha1,3)Manalpha 1,6] (GlcNAcbeta1,2Manalpha1,3)Manbeta1,4GlcNAcbeta1,4GlcNAc-R nor from the GlcNAcbeta1,2Manalpha1,6Manbeta- arm. These findings indicate that GLY-13 plays an important role in the synthesis of N-glycans by C. elegans and that therefore the worm should prove to be a suitable model for the study of the role of GnT I in nematode development. PMID:12603202

  15. Materials Data on Ca51W12N56O3 (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

  16. Materials Data on Sr51W12N56O3 (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

  17. Materials Data on Fe12N5 (SG:162) by Materials Project

    SciTech Connect

    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

  18. 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.

  19. Sedimentary 12-n-Propylcholestanes, Molecular Fossils Diagnostic of Marine Algae.

    PubMed

    Moldowan, J M; Fago, F J; Lee, C Y; Jacobson, S R; Watt, D S; Slougui, N E; Jeganathan, A; Young, D C

    1990-01-19

    Certain C(30)-steranes have been used for identifying sedimentary rocks and crude oils derived from organic matter deposited in marine environments. Analysis of a C(30)-sterane from Prudhoe Bay oil indicates that these C(30)-steranes are 24-n-propylcholestanes that apparently are derived from precursor sterols 24-n-propylidene-cholesterols and 24-n-propylcholesterol. These widely occurring sterols are biochemically synthesized in modern oceans by members of an order (Sarcinochrysidales) of chrysophyte algae. These data thus imply that C(30)-sterane biomarkers in sedimentary rocks and crude oils have a marine origin. Screening of a few organic-rich sedimentary rocks and oils from throughout the Phanerozoic suggests that these C(30)-steranes first appeared and, therefore, their source algae evolved between Early Ordovician and Devonian.

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

    SciTech Connect

    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

  1. Materials Data on CuH12N2(Cl2O)2 (SG:136) 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

  2. Materials Data on Na2CuH20C12(N2O3)6 (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

  3. 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.

  4. 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.

  5. A novel gallium arsenate organically templated by propane-1,3-diyldiammonium with a ULM-3-type open framework: [Ga3(AsO4)3(OH)F]-(C3H12N2) x H2O.

    PubMed

    Loiseau, Thierry; Ferey, Gerard

    2004-03-01

    Crystals of the title oxyfluorinated gallium arsenate, viz. tris(arsenato)fluorohydroxotrigallium propane-1,3-diyldiammonium monohydrate, were synthesized hydrothermally at 453 K under autogenous pressure, using 1,3-diaminopropane as the structure-directing agent. The solid crystallizes in the orthorhombic system and its structure was determined from single-crystal X-ray diffraction analysis. The structure is similar to that of gallium or aluminium phosphates with the ULM-3 structural type and is built up from a three-dimensional anionic framework composed of corner-linked hexameric Ga3(AsO4)3(OH)F units. The Ga atoms have an octahedral [GaO4(OH)F] or trigonal-bipyramidal [GaO4(OH) and GaO4F] coordination. These units are connected to one another and to the tetrahedral AsO4 groups via OH or F bridges. The three-dimensional framework contains ten-ring channels along [010], crosslinked by eight-ring channels along [110] and [110]. The diprotonated organic species and water molecules reside within the ten-ring channels. The cation is linked to the framework via an N-H...F hydrogen bond. A strong N-H...O hydrogen bond links the cation and the water molecule. PMID:15004354

  6. 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.

  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

    ... exploratory uranium drilling on the Cibola National Forest, Mount Taylor Ranger District. There are two areas identified for exploration; the Bajillos project area is approximately 2,894 acres and is located in T. 12 N, R. 8 W, Sections 6, 7, & 8 and T. 12 N, R. 9 W, Sections 1, 12, & . The Endy project area...

  8. 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.

  9. 18 CFR Appendix A to Part 380 - Minimum Filing Requirements for Environmental Reports Under the Natural Gas Act

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... waterbody crossings that may have contaminated waters or sediments. (§ 380.12(d)(1)). 3. Identify watershed.... (§ 380.12(n)(2)) Resource Report 13—Additional Information Related to LNG Plants Provide all the...

  10. 18 CFR Appendix A to Part 380 - Minimum Filing Requirements for Environmental Reports Under the Natural Gas Act

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... waterbody crossings that may have contaminated waters or sediments. (§ 380.12(d)(1)). 3. Identify watershed.... (§ 380.12(n)(2)) Resource Report 13—Additional Information Related to LNG Plants Provide all the...

  11. 18 CFR Appendix A to Part 380 - Minimum Filing Requirements for Environmental Reports Under the Natural Gas Act

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... waterbody crossings that may have contaminated waters or sediments. (§ 380.12(d)(1)). 3. Identify watershed.... (§ 380.12(n)(2)) Resource Report 13—Additional Information Related to LNG Plants Provide all the...

  12. Is an Elective Neck Dissection Necessary for All Cases of N0 Oral Squamous Cell Carcinoma? -Elective Neck Dissection may be Performed for Tongue Cancer with Tumor Thickness More than 4 mm.

    PubMed

    Otsuru, Mitsunobu; Aoki, Takayuki; Ota, Yoshihide; Denda, Yuya; Akiba, Takeshi; Sekine, Riyo; Yoshida, Yoshifumi; Osaka, Ryuta

    2016-01-01

    We investigated whether neck dissection should be performed to prevent T1-2N0M0 tongue cancer by using the Weiss and colleague's decision tree method. The results showed that preventive neck dissection should not be recommended for T1-2N0M0 tongue cancer. However, preventive neck dissection is a suitable approach when treating tongue cancer tumors with a thickness of ≥ 4 mm. PMID:27628601

  13. 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.

  14. 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

    2016-07-29

    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.

  15. 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.

  16. Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.

    PubMed

    Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul

    2015-02-28

    Post-metallocenes were constructed for olefin polymerization using 1,2,3,4,7,8,9,10-octahydro[1,10]phenanthroline and 1,2,3,4-tetrahydro[1,10]phenanthroline derivatives. A series of zirconium complexes - LZrCl2(NHMe2)2 [L = 2,9-H2-C12H12N2 (4), 2,9-Me2-C12H12N2 (5), 2,9-nBu2-C12H12N2 (6), and 2,9-iPr2-C12H12N2 (7)] - and hafnium complexes - LHfCl2(NHMe2)2 [L = 2,9-H2-C12H12N2 (8), 2,9-Me2-C12H12N2 (9), 2,9-nBu2-C12H12N2 (10), and 2,9-iPr2-C12H12N2 (11)] - were synthesized via the reaction of octahydro[1,10]phenanthrolines (2,9-R2-C12H12(NH)2) with (Me2N)2MCl2 (DME). The reaction of 2,9-R2-C12H12(NH)2 with (PhCH2)2ZrCl2 in the presence of a small amount of THF afforded a series of THF adduct analogs, i.e., LZrCl2(THF)2 [L = 2,9-H2-C12H12N2 (12), 2,9-Me2-C12H12N2 (13), 2,9-nBu2-C12H12N2 (14), and 2,9-iPr2-C12H12N2 (15)]. The treatment of 12 and 13 with excess Me3Al resulted in the formation of unexpected complexes, i.e., (η(4)-LAlMe2)ZrCl2(Me) [L = 2,9-H2-C12H12N2 (16) and 2,9-Me2-C12H12N2 (17)], in which the Me2Al unit forms a five-membered ring through binding with the two nitrogen donors and the MeCl2Zr unit slips to an η(4)-binding mode containing the N-C-C-N fragment. The treatment of tetrahydro[1,10]phenanthrolines [2,9-R2-C12NH9(NH)] with M(CH2Ph)4 afforded tribenzyl zirconium complexes LZr(CH2Ph)3 - [L = 2,9-Me2-C12NH9N (18) and 2,9-nBu2-C12NH9N (19)] - and hafnium complexes - LHf(CH2Ph)3 [L = 2,9-Me2-C12NH9N (20), 2,9-nBu2-C12NH9N (21), and 2,9-iPr2-C12NH9N (22)]. The structures of 4, 5, 12, 17, and 22 were elucidated by X-ray crystallography. The newly prepared complexes were screened for ethylene/1-octene copolymerization activity: 12 and 16 were potent catalysts (activities of 74 × 10(6) g mol-Zr h(-1) at ∼120 °C under 30 bar ethylene) for the production of wax-like low-molecular weight polyethylene (Mn: ∼5000), which is widely used in industry.

  17. 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

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. 76 FR 23189 - Safety Zone; Pensacola Bay; Pensacola, FL

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-26

    ... 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 087 15'01.18'' W creating a box, referred to as the ``Show Box''. This action is necessary for the... 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''...

  3. [FACTORS OF PROGNOSIS IN PATIENTS WITH EARLY CANCER OF MAMMARY GLAND].

    PubMed

    Shchurov, M F; Voloshyna, N M; Pogorila, T Yu

    2015-12-01

    A survival indices in patients with early mammary gland cancer of a ductal infiltrating histology stage T1-2N0M0, who were treated in accordance to actual standards, differ significantly, what witnesses the necessity for searching of additional prognostic criteria. The investigation objective was to study the impact of independent and interrelated clinical, morphological and biochemical factors of prognosis on the survival indices in patients with mammary gland cancer stage T1-2N0M0 in conditions of local and systemic treatment.

  4. 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.

  5. [FACTORS OF PROGNOSIS IN PATIENTS WITH EARLY CANCER OF MAMMARY GLAND].

    PubMed

    Shchurov, M F; Voloshyna, N M; Pogorila, T Yu

    2015-12-01

    A survival indices in patients with early mammary gland cancer of a ductal infiltrating histology stage T1-2N0M0, who were treated in accordance to actual standards, differ significantly, what witnesses the necessity for searching of additional prognostic criteria. The investigation objective was to study the impact of independent and interrelated clinical, morphological and biochemical factors of prognosis on the survival indices in patients with mammary gland cancer stage T1-2N0M0 in conditions of local and systemic treatment. PMID:27025030

  6. 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.

  7. 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…

  8. 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…

  9. 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...

  10. 27 CFR 9.61 - El Dorado.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... North Fork of the American River (also the boundary line between El Dorado and Placer Counties) and the township line “T. 11 N./T. 12 N.” (“Pilot Hill” Quadrangle); (2) Thence northeast along the North Fork of the American River to its divergence with the Middle Fork of the American River, continuing...

  11. 27 CFR 9.61 - El Dorado.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... North Fork of the American River (also the boundary line between El Dorado and Placer Counties) and the township line “T. 11 N./T. 12 N.” (“Pilot Hill” Quadrangle); (2) Thence northeast along the North Fork of the American River to its divergence with the Middle Fork of the American River, continuing...

  12. 27 CFR 9.61 - El Dorado.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... North Fork of the American River (also the boundary line between El Dorado and Placer Counties) and the township line “T. 11 N./T. 12 N.” (“Pilot Hill” Quadrangle); (2) Thence northeast along the North Fork of the American River to its divergence with the Middle Fork of the American River, continuing...

  13. 27 CFR 9.61 - El Dorado.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... North Fork of the American River (also the boundary line between El Dorado and Placer Counties) and the township line “T. 11 N./T. 12 N.” (“Pilot Hill” Quadrangle); (2) Thence northeast along the North Fork of the American River to its divergence with the Middle Fork of the American River, continuing...

  14. 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...

  15. 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

  16. 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...

  17. Children's Ability to Learn Evolutionary Explanations for Biological Adaptation

    ERIC Educational Resources Information Center

    Shtulman, Andrew; Neal, Cara; Lindquist, Gabrielle

    2016-01-01

    Research Findings: Evolution by natural selection is often relegated to the high school curriculum on the assumption that younger students cannot grasp its complexity. We sought to test that assumption by teaching children ages 4-12 (n = 96) a selection-based explanation for biological adaptation and comparing their success to that of adults…

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

    PubMed

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

    2015-12-28

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

  19. 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…

  20. Parental Interpersonal Sensitivity and Youth Social Problems: A Mediational Role for Child Emotion Dysregulation

    ERIC Educational Resources Information Center

    Suveg, Cynthia; Jacob, Marni L.; Payne, Mary

    2010-01-01

    We examined the relations between parental interpersonal sensitivity and youth social problems and explored the mediational role of child emotion dysregulation. Mothers (N = 42; M age = 39.38) and fathers (N = 41; M age = 39.38) of youth aged 7-12 (N = 42; M age = 9.12) completed measures of their own interpersonal sensitivity and reported on…

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

    ERIC Educational Resources Information Center

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

    2015-01-01

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

  2. 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…

  3. 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

  4. 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'…

  5. 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'…

  6. The Relation of Severity and Comorbidity to Treatment Outcome with Cognitive Behavioral Therapy for Childhood Anxiety Disorders

    ERIC Educational Resources Information Center

    Liber, Juliette Margo; van Widenfelt, Brigit M.; van der Leeden, Adelinde J. M.; Goedhart, Arnold W.; Utens, Elisabeth M. W. J.; Treffers, Philip D. A.

    2010-01-01

    The present study investigated the impact of comorbidity over and above the impact of symptom severity on treatment outcome of Cognitive Behavioral Therapy for children with anxiety disorders. Children (aged 8-12, n = 124) diagnosed with an anxiety disorder were treated with a short-term CBT protocol. Severity was assessed with a composite measure…

  7. 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…

  8. 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…

  9. 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…

  10. 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…

  11. 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 =…

  12. A Schiff base formed from sulfanilic acid and dimethylformamide.

    PubMed

    Hempel, A; Camerman, N; Mastropaolo, D; Camerman, A

    1999-04-15

    The crystal structure the Schiff base contains one 4-dimethylaminomethyleneaminobenzenesulfonic acid molecule in zwitterionic form [4-(dimethylaminomethyleneammonio)benzenesulfonate], and one water molecule in the asymmetric unit (C9H12N2O3S.H2O). Protonation occurs at nitrogen atom N1, but the charge is delocalized.

  13. (Z)-3-(1-Methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2004-03-01

    The title compound, C16H12N2S, has been synthesized by base-catalyzed condensation of 1-methylindole-3-carboxaldehyde with thiophene-3-acetonitrile. The product assumes an approximately planar Z configuration. The molecule has a thienyl-ring flip disorder.

  14. 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…

  15. 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)

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

    ERIC Educational Resources Information Center

    Kangas, Marjaana

    2010-01-01

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

  18. 76 FR 64968 - Notice of Filing of Plats of Survey; South Dakota

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-19

    ... surveyed are: Black Hills Meridian, South Dakota T. 12 N., R. 24 E. The plat, in three sheets, representing..., Township 12 North, Range 24 East, Black Hills Meridian, South Dakota, was accepted September 28, 2011. We... CODE 4310-DN-P...

  19. [Effects of combined applications of pig manure and chemical fertilizers on CH4 and N2O emissions and their global warming potentials in paddy fields with double-rice cropping].

    PubMed

    Wang, Cong; Shen, Jian-Lin; Zheng, Liang; Liu, Jie-Yun; Qin, Hong-Ling; Li, Yong; Wu, Jin-Shui

    2014-08-01

    A field experiment was carried out to study the effects of combined applications of pig manure and chemical fertilizers on CH4 and N2O emissions, which were measured using the static chamber/gas chromatography method, and their global warming potentials in typical paddy fields with double-rice cropping in Hunan province. The results showed that the combined applications of pig manure and chemical fertilizers did not change the seasonal patterns of CH4 and N2O emissions from paddy soils, but significantly changed the magnitudes of CH4 and N2O fluxes in rice growing seasons as compared with sole application of chemical fertilizers. During the two rice growing seasons, the cumulative CH4 emissions for the pig manure and chemical nitrogen (N) fertilizer each contributing to 50% of the total applied N (1/2N + PM) treatment were higher than those for the treatments of no N fertilizer (ON), half amount of chemical N fertilizer (1/2N) and 100% chemical N fertilizer (N) by 54.83%, 33.85% and 43.30%, respectively (P < 0.05), whilst the cumulative N2O emissions for the 1/2N + PM treatment were decreased by 67.50% compared with N treatment, but increased by 129.43% and 119.23% compared with ON and 1/2N treatments, respectively (P < 0.05). CH4 was the dominant contributor to the global warming potential (GWP) in both rice growing seasons, which contributed more than 99% to the integrated GWP of CH4 and N2O emissions for all the four treatments. Both GWP and yield-scaled GWP for the treatment of 1/2N + PM were significantly higher than the other three treatments. The yield-scaled GWP for the treatment of 1/2N + PM was higher than those for the N, 1/2N and ON treatments by 58.21%, 26.82% and 20. 63%, respectively. Therefore, combined applications of pig manure and chemical fertilizers in paddy fields would increase the GWP of CH4 and N2O emissions during rice growing seasons and this effect should be considered in regional greenhouse gases emissions inventory.

  20. 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.

  1. Anion-directed assembly: Framework conversion in dimensionality and photoluminescence

    NASA Astrophysics Data System (ADS)

    Gong, Yun; Liu, Tianfu; Tang, Wang; Wu, Fengjing; Gao, Wenliang; Hu, Changwen

    2007-04-01

    Six novel Ni(II)-fluconazole complexes formulated as (C 13H 11N 6OF 2) 2Ni 2(NO 3) 2 ( 1), (C 13H 12N 6OF 2) 2Ni(NO 3) 2·H 2O ( 2), (C 13H 12N 6OF 2)Ni(SO 4)(DMF) 2(H 2O) ( 3), (C 13H 12N 6OF 2) 2Ni(H 2O) 2(SO 4)·4H 2O ( 4), (C 13H 12N 6OF 2) 2NiCl 2·2(CH 3OH) ( 5), (C 13H 12N 6OF 2) 4Ni 2 (MoO 4) 2·6H 2O ( 6) have been hydrothermally or solvothermally synthesized under similar conditions except different anions and solvents. They are structurally characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. Complex 1 is a molecular binuclear nickel cluster. Complex 2 exhibits a one-dimensional (1D) chain linked by double-stranded fluconazole-bridge. Complex 3 shows a novel 1D chain linked by double-stranded fluconazole-bridge and double-stranded SO 42--bridge. Complex 4 shows a three-dimensional (3D) architecture and SO 42- anions occupy the cavity. Complex 5 exhibits a two-dimensional (2D) structure constructed by alternating left- and right-handed helices. Complex 6 exhibits a 3D architecture, in which the 2D layers are pillared by {MoO 4} tetrahedra. Complex 2 can be irreversibly converted to complex 1 in the presence of DMF ( N, N'-dimethyllformamide). Complexes 1, 3 and 6 show antiferromagnetic interactions between the nickel (II) ions The photoluminescence properties of the six complexes indicated that the introduction of different anions can enhance or weaken the intra-ligand transitions of fluconazole.

  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. Specific killing effect of 10B1-para-boronophenylalanine in thermal neutron capture therapy of malignant melanoma: in vitro radiobiological evaluation.

    PubMed

    Ichihashi, M; Nakanishi, T; Mishima, Y

    1982-03-01

    A 10B-dopa analogue, 10B1-para-boronophenylalanine (10B1-BPA) has been found to have a marked melanoma killing effect as expressed by the Do value, 0.9-1.2 X 10(12) n/cm2. The Do value of the neutron alone is 2.8 X 10(12) n/cm2. After the introduction of high LET irradiation into radiotherapy, its higher energy deposition in the target cancer cells is one of the major problems currently to be solved. This can be achieved by our thermal neutron capture therapy in the order of cellular dimensions when we have highly tumor-seeking 10B-compounds available. Our present evidence seems to indicate that our new 10B1-BPA can highly concentrate 10B into melanoma cells, to as much as 11 times the level of the medium in the in vitro system.

  4. Delta excitations and shell-model information in heavy-ion, charge-exchange reactions

    NASA Technical Reports Server (NTRS)

    Deutchman, P. A.; Maung, K. M.; Norbury, J. W.; Rasmussen, J. O.; Townsend, L. W.

    1986-01-01

    We calculate total cross sections for coherent pion production using localized plane-wave approximations for the shell-structure of valence nucleons that are excited to delta particles in the intermediate state in the (12C, 12B) and (12C, 12N) charge-exchange, heavy-ion reactions. We find comparable agreement to projectile downshift data for 12C(12C, 12B)12N. Then we improve the formalism by replacing the localized plane wave bound states with harmonic oscillator states which are imbedded in a multipole expansion approach and calculate pion differential cross sections to test for the sensitivity of the spectra to the single-particle mass parameter.

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

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

  6. 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.

  7. Hybrid baryons in QCD

    SciTech Connect

    Dudek, Jozef J.; Edwards, Robert G.

    2012-03-21

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

  8. 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.

  9. Comparison of methods to determine degree of pyritization

    USGS Publications Warehouse

    Leventhal, J.; Taylor, C.

    1990-01-01

    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. ?? 1990.

  10. Studies on synthetic pathway of xylose-containing N-linked oligosaccharides deduced from substrate specificities of the processing enzymes in sycamore cells (Acer pseudoplatanus L.).

    PubMed

    Tezuka, K; Hayashi, M; Ishihara, H; Akazawa, T; Takahashi, N

    1992-02-01

    We measured the activities of alpha-1,3-mannosyl-glycoprotein beta-1,2-N-acetylglucosaminyltransferase, alpha-1,6-mannosyl-glycoprotein beta-1,2-N-acetylglucosaminyltransferase, beta-1,4-mannosyl-glycoprotein beta-1,2-xylosyltransferase and glycoprotein 3-alpha-L-fucosyltransferase in the Golgi fraction of suspension-cultured cells of sycamore (Acer pseudoplatanus L.) using fluorescence-labelled oligosaccharides as acceptor substrates for these transferase reactions. The structures of the pyridylaminated oligosaccharides produced by these reactions were analyzed by two-dimensional sugar mapping using high-performance liquid chromatography. We demonstrated that (formula; see text) was processed to produce by these in vitro reactions. On the basis of these results, we discuss a biosynthetic pathway for xylose containing N-linked oligosaccharides in plant glycoproteins.

  11. Field-concentration phase diagram of a quantum spin liquid with bond defects

    NASA Astrophysics Data System (ADS)

    Hüvonen, D.; Ballon, G.; Zheludev, A.

    2013-09-01

    The magnetic susceptibility of the gapped quantum spin liquid compound (C4H12N2)Cu2Cl6 and its chemically disordered derivatives (C4H12N2)Cu2(Cl1-xBrx)6 are systematically studied in magnetic fields of up to 45 T, as a function of Br concentration. The corresponding field-temperature and field-concentration phase diagrams are determined. Measurements on the disorder-free parent compound are not fully consistent with previously published results by other authors. The effect of Br/Cl substitution on the magnetic properties is superficially similar to that of finite temperature. However, important differences are identified and discussed with reference to the previously studied magnetic excitation spectra.

  12. 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.

  13. Characteristics of Quasi-Molecular State Interaction

    SciTech Connect

    Devdariani, A.; Dalimier, E.; Kereselidze, T.; Noselidze, I.; Rebentrost, F.; Sauvan, P.

    2008-10-22

    The quasi-molecular dipole transition moments have been considered analytically within the framework of the two-state approximation with particular emphasis on their roots (zeros) on spectral manifestations of the roots in the adiabatic diabatic limits. The interrelation between the spectral features the non-adiabatic transitions found in [1] has been demonstrated for excited state charge exchange Al{sup +12}(n = 4)+C{sup +6}{yields}Al{sup +13}+C{sup +5}(n = 2)

  14. 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''...

  15. 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…

  16. 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...

  17. 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)

  18. Crystal structure of 2-methyl-3-nitro-benzoic anhydride.

    PubMed

    Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R

    2015-07-01

    The title mol-ecule, C16H12N2O7, lies on a twofold rotation axis which bis-ects the central O atom. The dihedral angle between two symmetry-related benzene rings is 48.54 (9)°. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds which generate C(13) chains running parallel to [31-1]. PMID:26279902

  19. 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

  20. 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

  1. An isolated current monitor for iontophoresis.

    PubMed

    Hauser, S E; Cohen, S A

    1976-01-01

    An inexpensive isolated current monitor has been developed as an effort to minimize stimulus artifact in experimental systems which include iontophoresis as the source of stimulus. The monitor becomes an element of the iontophoresis circuit, but provides an output voltage isolated from the iontophoresis current. The voltage is proportional to the iontophoresis current and will represent currents of 1/2 nA to 5 muA. It is this ability to detect minute currents that is valuable in iontophoresis measurements.

  2. Proof of Ira Gessel's lattice path conjecture

    PubMed Central

    Kauers, Manuel; Koutschan, Christoph; Zeilberger, Doron

    2009-01-01

    We present a computer-aided, yet fully rigorous, proof of Ira Gessel's tantalizingly simply stated conjecture that the number of ways of walking 2n steps in the region x + y ≥ 0,y ≥ 0 of the square lattice with unit steps in the east, west, north, and south directions, that start and end at the origin, equals 16n(5/6)n(1/2)n(5/3)n(2)n.

  3. 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.

  4. 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.

  5. 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.

  6. Controlled growth of superhydrophobic films by sol-gel method on aluminum substrate

    NASA Astrophysics Data System (ADS)

    Lu, Shixiang; Chen, Yiling; Xu, Wenguo; Liu, Wei

    2010-08-01

    Superhydrophobic surface was prepared by sol-gel method on aluminum substrate via immersing the clean pure aluminum substrate into the solution of zinc nitrate hexahydrate (Zn(NO 3) 2·6H 2O) and hexamethylenetetraamine (C 6H 12N 4) at different molar ratios and unchanged 0.04 mol/L total concentration, then heated at 95 °C in water bath for 1.5 h, subsequently modified with 18 alkanethiols or stearic acid. When the molar ratios of Zn(NO 3) 2·6H 2O and C 6H 12N 4 were changed from 10:1 to 1:1 the contact angle was higher than 150°. The best prepared surface had a high water contact angle of about 154.8°, as well as low angle hysteresis of about 3°. The surface of prepared films using Zn(NO 3) 2·6H 2O and C 6H 12N 4 composed of ZnO and Zn-Al LDH, and Al. SEM images of the film showed that the resulting surface exhibits different flower-shaped wurtzite zinc oxide microstructure and porous Zn-Al LDH. The special flowerlike and porous architecture, along with the low surface energy leads to the surface superhydrophobicity.

  7. 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.

  8. Tris(2-aminoethyl)amine-based α-branched fatty acid amides - Synthesis of lipids and comparative study of transfection efficiency of their lipid formulations.

    PubMed

    Erdmann, Nicole; Wölk, Christian; Schulze, Ingo; Janich, Christopher; Folz, Manuela; Drescher, Simon; Dittrich, Matthias; Meister, Annette; Vogel, Jürgen; Groth, Thomas; Dobner, Bodo; Langner, Andreas

    2015-10-01

    The synthesis of a new class of cationic lipids, tris(2-aminoethyl)amine-based α-branched fatty acid amides, is described resulting in a series of lipids with specific variations in the lipophilic as well as the hydrophilic part of the lipids. In-vitro structure/transfection relationships were established by application of complexes of these lipids with plasmid DNA (pDNA) to different cell lines. The α-branched fatty acid amide bearing two tetradecyl chains and two lysine molecules (T14diLys) in mixture with the co-lipid 1,2-di-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phosphoethanolamine (DOPE) (1/2, n/n) exhibits effective pDNA transfer in three different cell lines, namely Hep-G2, A549, and COS-7. The presence of 10% serum during lipoplex incubation of the cells did not affect the transfection efficiency. Based on that, detailed investigations of the complexation of pDNA with the lipid formulation T14diLys/DOPE 1/2 (n/n) were carried out with respect to particle size and charge using dynamic light scattering (DLS), ζ-potential measurements, and transmission electron microscopy (TEM). Additionally, the lipoplex uptake was investigated by confocal laser scanning microscopy (CLSM). Overall, lipoplexes prepared from T14diLys/DOPE 1/2 (n/n) offer large potential as lipid-based polynucleotide carriers and further justify advanced examinations.

  9. 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

  10. High-fat diet intake from senescence inhibits the attenuation of cell functions and the degeneration of villi with aging in the small intestine, and inhibits the attenuation of lipid absorption ability in SAMP8 mice.

    PubMed

    Yamamoto, Kazushi; E, Shuang; Hatakeyama, Yu; Sakamoto, Yu; Tsuduki, Tsuyoshi

    2015-11-01

    We examined the effect of a high-fat diet from senescence as a means of preventing malnutrition among the elderly. The senescence-accelerated mouse P8 was used and divided into three groups. The 6C group was given a normal diet until 6 months old. The 12N group was given a normal diet until 12 months old. The 12F group was given a normal diet until 6 months old and then a high-fat diet until 12 months old. In the oral fat tolerance test, there was a decrease in area under the curve for serum triacylglycerol level in the 12N group and a significant increase in the 12F group, suggesting that the attenuation of lipid absorption ability with aging was delayed by a high-fat diet from senescence. To examine this mechanism, histological analysis in the small intestine was performed. As a result, the degeneration of villi with aging was inhibited by the high-fat diet. There was also a significant decrease in length of villus in the small intestine in the 12N group and a significant increase in the 12F group. The high-fat diet from senescence inhibited the degeneration of villi with aging in the small intestine, and inhibited the attenuation of lipid absorption ability.

  11. The parastatistics Fock space and explicit Lie superalgebra representations

    NASA Astrophysics Data System (ADS)

    Stoilova, N. I.

    2013-11-01

    It is known that the defining triple relations of m pairs of parafermion operators f_i^+/- and n pairs of paraboson operators b_j^+/- with relative parafermion relations can be considered as defining relations for the Lie superalgebra \\mathfrak {osp}(2m+1|2n) in terms of 2(m + n) generators. With the common hermiticity conditions, this means that the parastatistics Fock space of order p corresponds to an infinite-dimensional unitary irreducible representation V(p) of \\mathfrak {osp}(2m+1|2n), with lowest weight (-\\frac{p}{2},\\ldots ,- \\frac{p}{2}|\\frac{p}{2},\\ldots ,\\frac{p}{2}). These representations (also in the simplest case m = n = 1) had never been constructed due to computational difficulties, despite their importance. In the present paper we partially solve the problem in the general case using group theoretical techniques, in which the \\mathfrak {u}(m|n) subalgebra of \\mathfrak {osp}(2m+1|2n) plays a crucial role: a set of Gelfand-Zetlin patterns of \\mathfrak {u}(m|n) can be used to label the basis vectors of V(p). An explicit and elegant construction of these representations V(p) for m = n = 1, and the actions or matrix elements of the \\mathfrak {osp}(3|2) generators are given.

  12. Antimicrobial susceptibility and oxymino-β-lactam resistance mechanisms in Salmonella enterica and Escherichia coli isolates from different animal sources.

    PubMed

    Clemente, Lurdes; Manageiro, Vera; Jones-Dias, Daniela; Correia, Ivone; Themudo, Patricia; Albuquerque, Teresa; Geraldes, Margarida; Matos, Filipa; Almendra, Cláudia; Ferreira, Eugénia; Caniça, Manuela

    2015-09-01

    The impact of extended-spectrum β-lactamases (ESBLs) and plasmid-mediated AmpC β-lactamases (PMAβs) of animal origin has been a public health concern. In this study, 562 Salmonella enterica and 598 Escherichia coli isolates recovered from different animal species and food products were tested for antimicrobial resistance. Detection of ESBL-, PMAβ-, plasmid-mediated quinolone resistance (PMQR)-encoding genes and integrons was performed in isolates showing non-wild-type phenotypes. Susceptibility profiles of Salmonella spp. isolates differed according to serotype and origin of the isolates. The occurrence of cefotaxime non-wild-type isolates was higher in pets than in other groups. In nine Salmonella isolates, blaCTX-M (n = 4), blaSHV-12 (n = 1), blaTEM-1 (n = 2) and blaCMY-2 (n = 2) were identified. No PMQR-encoding genes were found. In 47 E. coli isolates, blaCTX-M (n = 15), blaSHV-12 (n = 2), blaCMY-2 (n = 6), blaTEM-type (n = 28) and PMQR-encoding genes qnrB (n = 2), qnrS (n = 1) and aac(6')-Ib-cr (n = 6) were detected. To the best of our knowledge, this study is the first to describe the presence of blaCMY-2 (n = 2) and blaSHV-12 (n = 1) genes among S. enterica from broilers in Portugal. This study highlights the fact that animals may act as important reservoirs of isolates carrying ESBL-, PMAβ- and PMQR-encoding genes that might be transferred to humans through direct contact or via the food chain. PMID:26054292

  13. 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.

  14. Hirshfeld surface analysis of sulfameter (polymorph III), sulfameter dioxane monosolvate and sulfameter tetrahydrofuran monosolvate, all at 296 K.

    PubMed

    Tailor, Sanjay M; Patel, Urmila H

    2015-11-01

    The ability of the antibacterial agent sulfameter (SMT) to form solvates is investigated. The X-ray crystal structures of sulfameter solvates have been determined to be conformational polymorphs. Both 1,4-dioxane and tetrahydrofuran form solvates with sulfameter in a 1:1 molar ratio. 4-Amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide (polymorph III), C11H12N4O3S, (1), has two molecules of sulfameter in the asymmetric unit cell. 4-Amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide 1,4-dioxane monosolvate, C11H12N4O3S·C4H8O2, (2), and 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide tetrahydrofuran monosolvate, C11H12N4O3S·C4H8O, (3), crystallize in the imide form. Hirshfeld surface analyses and fingerprint analyses were performed to study the nature of the interactions and their quantitative contributions towards the crystal packing. Finally, Hirshfeld surfaces, fingerprint plots and structural overlays were employed for a comparison of the two independent molecules in the asymmetric unit of (1), and also for a comparison of (2) and (3) in the monoclinic crystal system. A three-dimensional hydrogen-bonding network exists in all three structures, involving one of the sulfone O atoms and the aniline N atom. All three structures are stabilized by strong intermolecular N-H···N interactions. The tetrahydrofuran solvent molecule also takes part in forming significant intermolecular C-H···O interactions in the crystal structure of (3), contributing to the stability of the crystal packing. PMID:26524165

  15. 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.

  16. 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

  17. Three Approximate Entropies

    NASA Astrophysics Data System (ADS)

    Lubkin, Elihu

    2002-04-01

    In 1993,(E. & T. Lubkin, Int.J.Theor.Phys. 32), 993 (1993) we gave exact mean trace of squared density matrix P for 3 models of an n-dimensional part of an nK-dimensional pure state. Models named: random nK ket (Haar); pure-pure driven by random Hamiltonian (Gauss); Gauss with n,K coupling reset small (weak). Neglecting higher powers of P gives the approximation: ln(n)- defines deficit = (n - 1)/2 which yields deficits, Haar: n((n+K)/(nK+1) - 1)/2 = ( n - 1/n - 1/K + 1/nnK )/2K + Order(f[n] / KKK); Gauss: (n/2)( (n+K)/(nK+1) + 2(nK+1-n-K)/nK(nK+1)(nK+3)) - 1/2 = ( n - 1/n - 1/K + 2/nK - 1/nnK )/2K + Order( f[n]/KKK ); weak: (n/2)(2(K+n)/((K+1)(n+1))) - 1/2 = (n/(n+1))(1 + (n-1)/K - (n-1)/KK + Order(f[n]/KKK)) - 1/2 [unreliable]. These would stay poor even as Karrow∞ unless deficit << 1 bit. Haar and Gauss come out good, but weak has too large a deficit. Though many authors (beginning with Don Page(D.N.Page, PRL 71), 1291 (1993)) have found the exact for Haar, I haven't yet seen exact for Gauss or for weak.

  18. 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

  19. Pyridine-4-carbaldehyde 4-phenylsemicarbazone

    PubMed Central

    Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; Fernández-Zapico, Eva; García-Granda, Santiago

    2011-01-01

    In the title compound, C13H12N4O, the semicarbazone fragment links a benzene and a pyridine ring in the structure. The crystal packing is stabilized by strong inter­molecular N—H⋯O hydrogen bonds, which connect two mol­ecules to form a synthon unit, and by N—H⋯N hydrogen bonds and weak C—H⋯π inter­actions. The mol­ecular conformation is stabil­ized by intra­molecular N—H⋯N and C—H⋯O inter­actions. PMID:21754444

  20. Distant (200-238 earth radii) magnetotail lobe characteristics during quiet solar wind conditions

    NASA Technical Reports Server (NTRS)

    Tsurutani, Bruce T.; Burton, Marcia E.; Smith, Edward J.; Jones, Douglas E.; Lepping, Ronald P.

    1987-01-01

    Simultaneous ISEE-3 magnetic field and IMP-8 magnetic field and plasma data have been used to investigate the distant tail lobe average properties under quiet solar wind conditions. Under solar wind pressures of not greater than 5 x 10 to the -10th dynes/sq cm, an average tail lobe strength of 7.1 + or - 1.2 nT, and an average plasma beta of 0.3, are found. Results suggest that under quiet solar wind conditions the distant tail lobes are relatively free from plasma and are usually dominated by the magnetic field pressure.

  1. On the Classification of Fractal Squares

    NASA Astrophysics Data System (ADS)

    Luo, Jun Jason; Liu, Jing-Cheng

    2016-01-01

    In the previous paper [K. S. Lau, J. J. Luo and H. Rao, Topological structure of fractal squares, Math. Proc. Camb. Phil. Soc. 155 (2013) 73-86], Lau, Luo and Rao completely classified the topological structure of so called fractal square F defined by F = (F + 𝒟)/n, where 𝒟 ⊊ {0, 1,…,n - 1}2,n ≥ 2. In this paper, we further provide simple criteria for the F to be totally disconnected, then we discuss the Lipschitz classification of F in the case n = 3, which is an attempt to consider non-totally disconnected sets.

  2. Formation of the S  =  1 paramagnetic centers in the bond-diluted spin-gap magnet.

    PubMed

    Glazkov, V N; Krasnikova, Yu V; Hüvonen, D; Zheludev, A

    2016-05-25

    Electron spin resonance experiment reveals that non-magnetic bond doping of the spin-gap magnet (C4H12N2)Cu2Cl6 (abbreviated PHCC) results in the formation of S  =  1 paramagnetic centers that dominate low-temperature ESR response. We have followed evolution of this signal with doping impurity content and have found that the concentraion of these centers is quadratic over the impurity content. We also observe coexistence of the ESR responses from these local centers and from delocalized triplet excitations over a certain temperature range. PMID:27119200

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

    PubMed

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

    2015-10-01

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

  4. 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.

  5. 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

  6. 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.

  7. 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

  8. 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.

  9. Propane-1,2-di­ammonium chromate(VI)

    PubMed Central

    Trabelsi, Sonia; Essid, Manel; Roisnel, Thierry; Rzaigui, Mohamed; Marouani, Houda

    2014-01-01

    In the title mol­ecular salt, (C3H12N2)[CrO4], each chromate anion accepts six N—H⋯O and C—H⋯O hydrogen bonds from nearby propane-1,2-di­ammonium cations. Three of the four O atoms of the chromate anion accept these bonds; the remaining Cr—O bond length is notably shorter than the others. In the crystal, the anions and cations stack in layers lying parallel to (100): the hydrogen-bonding pattern leads to a three-dimensional network. PMID:24764949

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

    PubMed Central

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

    2009-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

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

  12. Cross section calculations for electron scattering from platinum chemotherapeutic compounds. Electron scattering from carboplatin and oxaliplatin

    NASA Astrophysics Data System (ADS)

    Żywicka, B.; Możejko, P.

    2013-10-01

    Cross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to 3000 eV. Obtained cross sections have been compared with relevant cross sections for cisplatin molecules.

  13. Clarification of the three-body decay of 12C (12.71 MeV).

    PubMed

    Fynbo, H O U; Prezado, Y; Bergmann, U C; Borge, M J G; Dendooven, P; Huang, W X; Huikari, J; Jeppesen, H; Jones, P; Jonson, B; Meister, M; Nyman, G; Riisager, K; Tengblad, O; Vogelius, I S; Wang, Y; Weissman, L; Wilhelmsen Rolander, K; Aystö, J

    2003-08-22

    Using beta decays of a clean source of 12N produced at the IGISOL facility, we have measured the breakup of the 12C (12.71 MeV) state into three alpha particles with a segmented particle detector setup. The high quality of the data permits solving the question of the breakup mechanism of the 12.71 MeV state, a longstanding problem in few-body nuclear physics. Among existing models, a modified sequential model fits the data best, but systematic deviations indicate that a three-body description is needed.

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

    PubMed Central

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

    2012-01-01

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

  15. 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.

  16. 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.

  17. Crystal structure of 4-[(5-methyl-isoxazol-3-yl)amino-sulfon-yl]anilinium 3,5-di-nitro-salicylate.

    PubMed

    Malathy, Sevaiyan; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas

    2015-06-01

    The title mol-ecular salt, C10H12N3O3S(+)·C7H3N2O7 (-), protonation occurs at the amino N atom attached to the benzene ring of sulfamethoxazole. In the anion, there is an intra-molecular O-H⋯O hydrogen bond and the cation is linked to the anion by an N-H⋯O hydrogen bond. In the extended structure, the cations and anions are linked via N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds, forming a three-dimensional framework. PMID:26090134

  18. Bis[3-dimethyl-amino-1-(2-pyrid-yl)prop-2-en-1-one-κN,O]tris-(nitrato-κO,O')praseodymium(III).

    PubMed

    Hu, Da-Hua

    2010-05-26

    In the title compound, [Pr(NO(3))(3)(C(10)H(12)N(2)O)(2)], the Pr(III) ion is ten-coordinated by two N and two O atoms from two bidentate 3-(dimethyl-amino)-1-(2-pyrid-yl)prop-2-en-1-one ligands and by six O atoms from three nitrate anions in a distorted bicapped square-anti-prismatic geometry. An extensive three-dimensional network of weak inter-molecular C-H⋯O hydrogen bonds consolidates the crystal packing.

  19. 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

  20. (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

  1. Bis(μ-5-hydr-oxy-2-{[2-(N-phenyl-thio-carbamo-yl)hydrazin-1-yl-idene]meth-yl}phenolato)bis[chloridozinc(II)] N,N-dimethyl-formamide tetra-solvate.

    PubMed

    Tan, Kong Wai; Ng, Chew Hee; Maah, M Jamil; Ng, Seik Weng

    2010-01-01

    In the dinuclear title compound, [Zn(2)(C(14)H(12)N(3)O(2)S)(2)Cl(2)]·4C(3)H(7)NO, the two monodeprotonated Schiff base ligands N,O,S:O-chelate to Zn atoms. The formally negatively charged O atom involved in chelation also serves as a bridge. The O, O', N and S atoms comprise a square, and the Cl atom the apex of a square pyramid surrounding each metal atom. The solvate dimethyl-formamide mol-ecules, one of which is disordered over two positions in a 3:1 ratio, are hydrogen bonded to the dinuclear mol-ecule. PMID:21579050

  2. 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

  3. 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

  4. Absolute measurement of the total ion-drag force on a single plasma-confined microparticle at the void edge under microgravity conditions.

    PubMed

    Beckers, J; Trienekens, D J M; Kroesen, G M W

    2013-11-01

    We present an absolute measurement of the total ion-drag force on one single microparticle at the edge of the dust free region in low pressure complex plasmas: the void. In order to do so, the particle confinement position was monitored as a function of the gas pressure for two particle sizes under normal gravity conditions and under microgravity conditions during parabolic flights. At the border of the void, the ion-drag force on a particle with a radius of 4.90 μm appeared to be (3.6±0.3)×10(-12) N.

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

    PubMed Central

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

    2011-01-01

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

  6. 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

  7. 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.

  8. 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

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

    SciTech Connect

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

    2005-01-01

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

  10. Bis(3-amino-phen-yl) sulfone acetonitrile solvate.

    PubMed

    Yao, Wei; Li, Fang-Shi; Yu, Da-Sheng; Lu, Chui; Zhu, Jin-Na

    2008-05-21

    In the sulfone mol-ecule of the title compound, C(12)H(12)N(2)O(2)S·C(2)H(3)N, the two benzene rings are oriented at a dihedral angle of 80.69 (3)°. Weak intra-molecular C-H⋯O hydrogen bonds result in the formation of two five-membered rings, which both have envelope conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules.

  11. Tris[4,4′-(ethene-1,2-di­yl)dipyridinium] deca­vanadate dihydrate

    PubMed Central

    Fernandez de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José Luis; Arriortua, María I.

    2010-01-01

    The asymmetric unit of the title compound, (C12H12N2)3[V10O28]·2H2O, contains one half of a deca­vanadate anion, one and a half trans-1,2-bis­(4-pyridinio)ethene cations and one water mol­ecule. The V10O28 groups are involved in a three-dimensional hydrogen-bonding network through Ow—H⋯O, N—H⋯O and C—H⋯O inter­actions. PMID:21580261

  12. 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.

  13. 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.

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

    NASA Technical Reports Server (NTRS)

    Spalding, J.

    1983-01-01

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

  15. [Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium].

    PubMed

    Sbai, F; Regragui, R; Essassi, E; Kenz, A; Pierrot, M

    2003-08-01

    The structures of dichloro[2-[(5-methyl-1H-pyrazol-3-yl-kappaN(2))methyl]-1H-1,3-benzimidazole-kappaN(3)]copper(II), [CuCl(2)(C(12)H(12)N(4))], and di-mu-chloro-bis(chloro[2-[(5-methyl-1H-pyrazol-3-yl-kappaN(2))methyl]-1H-1,3-benzimidazole-kappaN(3)]cadmium(II)), [Cd(2)Cl(4)(C(12)H(12)N(4))(2)], show that these compounds have the structural formula [ML(Cl)(2)](n), where L is 2-[(5-methylpyrazolyl)methyl]benzimidazole. When M is copper, the complex is a monomer (n = 1), with a tetrahedral coordination for the Cu atom. When M is cadmium (n = 2), the complex lies about an inversion centre giving rise to a centrosymmetric dimer in which the Cd atoms are bridged by two chloride ions and are pentacoordinated. PMID:12909760

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

    PubMed

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

    2014-08-21

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

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

    PubMed Central

    Xia, Baoqiang; Qiao, Zhijun

    2015-01-01

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

  18. Flight evaluation of the terminal guidance system

    NASA Technical Reports Server (NTRS)

    Sandlin, D. R.

    1981-01-01

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

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

    PubMed

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

    2015-01-01

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

  20. Hydrate frameworks involving the pyridazino[4,5-d]pyridazine unit as a multiple hydrogen-bond acceptor.

    PubMed

    Zhylenko, Iryna S; Solntsev, Pavlo V; Rusanov, Eduard B; Chernega, Alexander N; Domasevitch, Konstantin V

    2008-04-01

    1,4,5,8-Tetramethylpyridazino[4,5-d]pyridazine trihydrate, C(10)H(12)N(4) x 3 H(2)O, (I), and 1,2,3,6,7,8-hexahydrocinnolino[5,4,3-cde]cinnoline tetrahydrate, C(12)H(12)N(4) x 4 H(2)O, (II), exhibit exceptional functionality of the condensed N(4)-heteroaromatic frame as a symmetric acceptor of four hydrogen bonds [N...O = 2.843 (2)-2.8716 (10) A]. Thus, all the N atoms of the electron-deficient and highly pi-acidic polynitrogen heterocycles function as lone-pair donors. In (I), all the molecular components lie on or across special positions; the site symmetry is 2/m for the organic and m2m and m for the two water molecules. In (II), the organic polycycle lies across a crystallographic inversion center. Both structures involve a hydrogen-bonded centrosymmetric water-pyridazine dimer as the basic supramolecular unit, which is integrated into two-dimensional [in (I)] and three-dimensional [in (II)] hydrate frameworks by hydrogen bonding with the additional water molecules [O...O = 2.744 (2)-2.8827 (19) A]. The hydrate connectivity exists in the form of an (H(2)O)(3) trimer in (I) and as a one-dimensional zigzag (H(2)O)(n) chain in (II).

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

    PubMed

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

    2016-09-01

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

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

    SciTech Connect

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

    2008-11-15

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

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

    PubMed

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

    2014-09-12

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

  4. Experimental study of neutrino absorption on carbon

    SciTech Connect

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

    1992-05-01

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

  5. Mice lacking N-acetylglucosaminyltransferase I activity die at mid-gestation, revealing an essential role for complex or hybrid N-linked carbohydrates.

    PubMed Central

    Ioffe, E; Stanley, P

    1994-01-01

    Eukaryotic cells require N-linked carbohydrates for survival. However, the biosynthetic intermediate Man5GlcNAc2Asn, in place of mature N-linked structures, allows glycoprotein synthesis and somatic cell growth to proceed normally. To determine whether the same would be true in a complex biological situation, the gene Mgat-1 was disrupted by homologous recombination in embryonic stem cells and transmitted to the germ line. The Mgat-1 gene encodes N-acetylglucosaminyltransferase I [GlcNAc-TI; alpha-1,3-mannosyl-glycoprotein beta-1,2-N-acetylglucosaminyltransferase; UDP-N-acetyl-D-glucosamine:glycoprotein (N-acetyl-D-glucosamine to alpha-D-mannosyl-1,3-(R1)-beta-D-mannosyl-R2) beta-1,2-N-acetyl-D-glucosaminyltransferase, EC 2.4.1.101], the transferase that initiates synthesis of hybrid and complex N-linked carbohydrates from Man5GlcNAc2Asn. Mice lacking GlcNAc-TI activity did not survive to term. Biochemical and morphological analyses of embryos from 8.5 to 13.5 days of gestation showed that Mgat-1-/-embryos are developmentally retarded, most noticeably in neural tissue, and die between 9.5 and 10.5 days of development. Images Fig. 1 Fig. 2 Fig. 3 Fig. 4 Fig. 5 PMID:8290590

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

    PubMed

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

    2014-09-12

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

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

    PubMed

    Boschung, Jonas

    2015-10-01

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

  8. On Generalizations of the Stirling Number Triangles

    NASA Astrophysics Data System (ADS)

    Lang, Wolfdieter

    2000-09-01

    Sequences of generalized Stirling numbers of both kinds are introduced. These sequences of triangles (i.e. infinite-dimensional lower triangular matrices) of numbers will be denoted by S2(k;n,m) and S1(k;n,m) with k in Z. The original Stirling number triangles of the second and first kind arise when k = 1. S2(2;n,m) is identical with the unsigned S1(2;n,m) triangle, called S1p(2;n,m), which also represents the triangle of signless Lah numbers. Certain associated number triangles, denoted by s2(k;n,m) and s1(k;n,m), are also defined. Both s2(2;n,m) and s1(2;n + 1, m + 1) form Pascal's triangle, and s2(-1,n,m) turns out to be Catalan's triangle. Generating functions are given for the columns of these triangles. Each S2(k) and S1(k) matrix is an example of a Jabotinsky matrix. Therefore the generating functions for the rows of these triangular arrays constitute exponential convolution polynomials. The sequences of the row sums of these triangles are also considered. These triangles are related to the problem of obtaining finite transformations from infinitesimal ones generated by x^k d/dx, for k in Z.

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

    PubMed

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

    2016-01-01

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

  10. Aqua-(dicyanamido-κN)(2,9-dimethyl-1,10-phenanthroline-κN,N')(nitrato-κO,O')cobalt(II)-2,9-dimethyl-1,10-phenanthroline-water (2/1/2).

    PubMed

    Cui, Feng-Hua; Zhao, Pei-Zheng

    2011-10-01

    In the title compound, 2[Co(C(2)N(3))(NO(3))(C(14)H(12)N(2))(H(2)O)]·C(14)H(12)N(2)·2H(2)O, the Co(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, a bidentate nitrate anion, a water mol-ecule and a monodentate dicyan-amide group in a distorted octa-hedral geometry. One uncoordinated dmphen mol-ecule is situated on a crystallographic twofold axis and the asymmetric unit is completed by one water mol-ecule. In the crystal, mol-ecules form a one-dimensional framework in the [001] direction through O-H⋯N and O-H⋯O hydrogen bonds. The crystal packing is further stabilized by π-π stacking inter-actions between the dmphen rings of neighboring mol-ecules, with a centroid-centroid separation of 3.5641 (8) Å and a partially overlapped arrangement of parallel dmphen rings with a distance of 3.407 (2) Å. PMID:22065101

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

    NASA Technical Reports Server (NTRS)

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

    1992-01-01

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

  12. Effects of static fingertip loading on carpal tunnel pressure

    NASA Technical Reports Server (NTRS)

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

    1997-01-01

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

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

    PubMed

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

    2016-06-01

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

  14. A unique E1–E2 interaction required for optimal conjugation of the ubiquitin-like protein NEDD8

    PubMed Central

    Huang, Danny T.; Miller, David W.; Mathew, Rose; Cassell, Robert; Holton, James M.; Roussel, Martine F.; Schulman, Brenda A.

    2009-01-01

    Ubiquitin-like proteins (UBLs), such as NEDD8, are transferred to their targets by distinct, parallel, multi-enzyme cascades that involve the sequential action of E1, E2, and E3 enzymes. How do enzymes within a particular UBL conjugation cascade interact with each other? We report here that the unique N-terminal sequence of NEDD8’s E2, Ubc12, selectively recruits NEDD8’s E1 to promote Ubc12~NEDD8 thioester formation. A peptide corresponding to Ubc12’s N-terminus (Ubc12N26) specifically binds and inhibits NEDD8’s E1, the heterodimeric APPBP1-UBA3 complex. The structure of APPBP1-UBA3-Ubc12N26 reveals conserved Ubc12 residues docking in a groove generated by loops conserved in UBA3s but not other E1s, explaining why this interaction is unique to the NEDD8 pathway. These studies define a novel mechanism for E1–E2 interaction and show how enzymes within a particular UBL conjugation cascade can be tethered together by unique protein-protein interactions emanating from their common structural scaffolds. PMID:15361859

  15. Hybrid baryons in QCD

    DOE PAGESBeta

    Dudek, Jozef J.; Edwards, Robert G.

    2012-03-21

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

  16. [Complexation du 2-[(5-méthylpyrazolyl)méthyle]benzimidazole par les chlorures de cuivre et de cadmium].

    PubMed

    Sbai, F; Regragui, R; Essassi, E; Kenz, A; Pierrot, M

    2003-08-01

    The structures of dichloro[2-[(5-methyl-1H-pyrazol-3-yl-kappaN(2))methyl]-1H-1,3-benzimidazole-kappaN(3)]copper(II), [CuCl(2)(C(12)H(12)N(4))], and di-mu-chloro-bis(chloro[2-[(5-methyl-1H-pyrazol-3-yl-kappaN(2))methyl]-1H-1,3-benzimidazole-kappaN(3)]cadmium(II)), [Cd(2)Cl(4)(C(12)H(12)N(4))(2)], show that these compounds have the structural formula [ML(Cl)(2)](n), where L is 2-[(5-methylpyrazolyl)methyl]benzimidazole. When M is copper, the complex is a monomer (n = 1), with a tetrahedral coordination for the Cu atom. When M is cadmium (n = 2), the complex lies about an inversion centre giving rise to a centrosymmetric dimer in which the Cd atoms are bridged by two chloride ions and are pentacoordinated.

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

    NASA Astrophysics Data System (ADS)

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

    2013-11-01

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

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

    PubMed

    Koning, Jesper; Vandecan, Yves; Indekeu, Joseph

    2014-07-28

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

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

    PubMed

    Suzuki, Shogo; Okada, Yukiko; Hirai, Shoji

    2003-08-01

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

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

    NASA Astrophysics Data System (ADS)

    Moser, D. P.

    2012-12-01

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

  1. Structures of CoII and ZnII complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine.

    PubMed

    Ghadermazi, Mohammad; Gharamaleki, Jafar Attar; Olmstead, Marilyn M; Almasi, Mehdi

    2015-07-01

    The reaction of the proton-transfer compound piperazine-1,4-diium pyrazine-2,3-dicarboxylate 4.5-hydrate, C4H12N2(2+)·C6H2N2O4(2-)·4.5H2O or (pipzH2)(pyzdc)·4.5H2O (pyzdcH2 is pyrazine-2,3-dicarboxylic acid and pipz is piperazine), (I), with Zn(NO3)2·6H2O and CoCl2·6H2O results in the formation of bis(piperazine-1,4-diium) bis(μ-pyrazine-2,3-dicarboxylato)-κ(3)N(1),O(2):O(3);κ(3)O(3):N(1),O(2)-bis[aqua(pyrazine-2,3-dicarboxylato-κ(2)N(1),O(2))zinc(II)] decahydrate, (C4H12N2)2[Zn2(C6H2N2O4)4(H2O)2]·10H2O or (pipzH2)2[Zn(pyzdc)2(H2O)]2·10H2O, (II), and catena-poly[piperazine-1,4-diium [cobalt(II)-bis(μ-pyrazine-2,3-dicarboxylato)-κ(3)N(1),O(2):O(3);κ(3)O(3):N(1),O(2)] hexahydrate], {(C4H12N2)[Co(C6H2N2O4)2]·6H2O}n or {(pipzH2)[Co(pyzdc)2]·6H2O}n, (III), respectively. In (I), pyzdcH2 is doubly deprotonated on reaction with piperazine as a base. Compound (II) crystallizes as a dimer, whereas compound (III) exists as a one-dimensional coordination polymer. In (II), two pyzdc(2-) groups chelate to each of the two Zn(II) atoms through a ring N atom and an O atom of the 2-carboxylate group. In one ligand, the adjacent 3-carboxylate group bridges to a neighbouring metal atom. A water molecule ligates in the sixth coordination site. The structure of (II) can be described as a commensurate superlattice due to an ordering in the hydrogen-bonded network. In (III), no water is coordinated to the metal atom and the coordination sphere is comprised of two N,O-chelates plus two bridging O atoms. A large number of hydrogen bonds are observed in all three compounds. These interactions, as well as π-π and C=O...π stacking interactions, play important structural roles. PMID:26146390

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

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

    PubMed

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

    2015-09-01

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

  4. Prevalence of avian influenza viruses, Borrelia garinii, Mycobacterium avium, and Mycobacterium avium subsp. paratuberculosis in waterfowl and terrestrial birds in Slovakia, 2006.

    PubMed

    Gronesova, Paulina; Ficova, Martina; Mizakova, Adriana; Kabat, Peter; Trnka, Alfred; Betakova, Tatiana

    2008-10-01

    The prevalence of Borrelia, Mycobacteria and avian influenza virus (AIV) infections, together with the distribution of different AIV subtypes, was studied in migratory waterfowl and terrestrial birds trapped in three localities in Slovakia during 2006. Samples obtained from waterfowl captured in the Senianske Ponds area of Eastern Slovakia showed the highest diversity of AIV isolates. A total of 13 different subtypes were detected in 19 samples from this location (H1N2, H2N2, H3N2, H6N6, H7N6, H9N2, H9N5, H9N6, H10N5, H10N6, H12N6, H13N6, and H16N6). H3N5 virus was detected in 50% of passerines testing positive for AIV in the Parizske Wetlands, with H7N2, H9N2, H9N5, H12N1, and H13N2 infections also recorded at this locality. H9N5 virus predominated in passerines captured at Trnava Ponds, with isolates H1N6, H6N5, H7N2, H7N6, H10N3, and H10N6 also detected at this location. There were five cases where different AIV infections were detected in oropharyngeal and cloacal samples originating from the same bird (H13N6 and H1N2; H10N5 and H12N6; H9N5 and H6N5; H10N6 and H7N6; and H9N2 and H3N5 in the oropharynx and cloaca, respectively). Between 21% and 52% of captured birds tested positive for Borrelia burgdorferi sensu lato, with the proportion infected depending on bird species and locality. Samples were characterized by polymerase chain reaction-restriction fragment length polymorphism analysis and identified as Borrelia garinii species (either B/B' or R/R' pattern). Mycobacteria were detected in 42% and 26% of waders captured at Senianske Ponds and marsh-dwelling passerines captured in the Parizske Wetlands, respectively. Interestingly, forest-dwelling passerine species caught in the Trnava Ponds region were tested negative for Mycobacteria. PMID:18798030

  5. Prevalence of avian influenza viruses, Borrelia garinii, Mycobacterium avium, and Mycobacterium avium subsp. paratuberculosis in waterfowl and terrestrial birds in Slovakia, 2006.

    PubMed

    Gronesova, Paulina; Ficova, Martina; Mizakova, Adriana; Kabat, Peter; Trnka, Alfred; Betakova, Tatiana

    2008-10-01

    The prevalence of Borrelia, Mycobacteria and avian influenza virus (AIV) infections, together with the distribution of different AIV subtypes, was studied in migratory waterfowl and terrestrial birds trapped in three localities in Slovakia during 2006. Samples obtained from waterfowl captured in the Senianske Ponds area of Eastern Slovakia showed the highest diversity of AIV isolates. A total of 13 different subtypes were detected in 19 samples from this location (H1N2, H2N2, H3N2, H6N6, H7N6, H9N2, H9N5, H9N6, H10N5, H10N6, H12N6, H13N6, and H16N6). H3N5 virus was detected in 50% of passerines testing positive for AIV in the Parizske Wetlands, with H7N2, H9N2, H9N5, H12N1, and H13N2 infections also recorded at this locality. H9N5 virus predominated in passerines captured at Trnava Ponds, with isolates H1N6, H6N5, H7N2, H7N6, H10N3, and H10N6 also detected at this location. There were five cases where different AIV infections were detected in oropharyngeal and cloacal samples originating from the same bird (H13N6 and H1N2; H10N5 and H12N6; H9N5 and H6N5; H10N6 and H7N6; and H9N2 and H3N5 in the oropharynx and cloaca, respectively). Between 21% and 52% of captured birds tested positive for Borrelia burgdorferi sensu lato, with the proportion infected depending on bird species and locality. Samples were characterized by polymerase chain reaction-restriction fragment length polymorphism analysis and identified as Borrelia garinii species (either B/B' or R/R' pattern). Mycobacteria were detected in 42% and 26% of waders captured at Senianske Ponds and marsh-dwelling passerines captured in the Parizske Wetlands, respectively. Interestingly, forest-dwelling passerine species caught in the Trnava Ponds region were tested negative for Mycobacteria.

  6. Urban rivers as conveyors of hydrocarbons to sediments of estuarine areas: source characterization, flow rates and mass accumulation.

    PubMed

    Mauad, Cristiane R; Wagener, Angela de L R; Massone, Carlos G; Aniceto, Mayara da S; Lazzari, Letícia; Carreira, Renato S; Farias, Cássia de O

    2015-02-15

    Aliphatic (n-C12-n-C40, unresolved complex mixture, resolved peaks) and aromatic hydrocarbons (46 PAH) were investigated in suspended particulate matter (SPM) sampled over eleven months in six of the major rivers and two channels of the Guanabara Bay Basin. PAH flow rates of the most contaminated rivers, the contribution to the PAH sediment load of the receiving bay, and the main sources of hydrocarbons were determined. PAH (38) ranged from 28 ng L(-1) to 11,514 ng L(-1). Hydrocarbon typology and statistical evaluation demonstrated contribution of distinct sources in different regions and allowed quantification of these contributions. Total flow rate for the five major rivers amounts to 3 t year(-1) and responds for 30% of the total PAH annual input into the northern area of the Guanabara Bay. For the first time PAH mass deposited in the bay sediments has been estimated and shall serve as base for decision making and source abatement.

  7. Crystal structure of 2-amino-7-hy­droxy-4-(4-hy­droxy­phen­yl)-4H-chromene-3-carbo­nitrile

    PubMed Central

    Horton, Peter N.; Akkurt, Mehmet; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.

    2015-01-01

    In the title compound, C16H12N2O3, the chromene ring system is nearly planar [maximum deviation from the mean plane = 0.057 (1) Å], and is almost perpendicular to the benzene ring, with a dihedral angle of 85.29 (5)°. In the crystal, mol­ecules are linked by classical N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, and weak C—H⋯O hydrogen bonds, forming a three-dimensional supra­molecular network. Furthermore, a weak π–π stacking inter­action is observed; the centroid-to-centroid distance is 3.7260 (7) Å. PMID:26396789

  8. Displacement of specific serotonin and lysergic acid diethylamide binding by Ergalgin, a new antiserotonin drug.

    PubMed

    Oelszner, W

    1980-01-01

    [3H]-serotonin and [3H]-lysergic acid diethylamide (LSD) bind with a high affinity, KD = 12 nM and 6 nM, respectively, to distinct receptors of rat caudate membranes in vitro. Displacement experiments with unlabeled serotonin and LSD support the hypothesis of serotonin receptors existing in an agonist and antagonist state. Methysergide and Ergalgin display quite similar potencies in displacing [3H]-serotonin and [3H]-LSD from their specific binding sites (Ki = 46,7 and 53,4 nM; 22,3 and 36,5 nM, respectively). Contrary to pharmacological findings these binding results are in favour of mixed agonist/antagonist properties of these compounds.

  9. Leisure activity patterns and their associations with overweight: a prospective study among adolescents.

    PubMed

    Lajunen, Hanna-Reetta; Keski-Rahkonen, Anna; Pulkkinen, Lea; Rose, Richard J; Rissanen, Aila; Kaprio, Jaakko

    2009-10-01

    We examined longitudinal associations between individual leisure activities (television viewing, video viewing, computer games, listening to music, board games, musical instrument playing, reading, arts, crafts, socializing, clubs or scouts, sports, outdoor activities) and being overweight using logistic regression and latent class analysis in a cohort of Finnish twins responding to self-report questionnaires at 11-12 (N=5184), 14, and 17 years. We also studied activity patterns ("Active and sociable", "Active but less sociable", "Passive but sociable", "Passive and solitary") thought to represent different lifestyles. Among boys, activity patterns did not predict becoming overweight, but sports and playing an instrument reduced the risk and arts and listening to music increased it. Among girls, few individual leisure activities predicted becoming overweight. However, girls in the "Passive and solitary" cluster carried the greatest risk of becoming overweight in late adolescence. Studying leisure activities related to overweight may help focus specific interventions on high risk groups.

  10. Progress in instrumenting the nitrogen/carbon cameras

    NASA Astrophysics Data System (ADS)

    Trower, W. P.; Saunders, A. W.; Shvedunov, V. I.

    1997-02-01

    We have imaged in the laboratory elemental nitrogen/carbon concentrations by inducing 14N(γ,2p)12B, 14N(γ,2n)12N, and 13C(γ,p)12B reactions and detecting resulting γ-rays with energies above ˜1 MeV during a ˜5 to 40 ms interval after irradiation. We are now developing instrumentation with which to capture these images in field deployable Nitrogen and Carbon Cameras. Here we describe our progress in developing suitable light sources (compact, mobile 70 MeV electron accelerators), detector materials (bright, dense, rugged scintillators and large, room temperature semiconductors), and arrays of detectors (densely packed, durable, and automated.)

  11. Hydroxide as general base in the saponification of ethyl acetate.

    PubMed

    Mata-Segreda, Julio F

    2002-03-13

    The second-order rate constant for the saponification of ethyl acetate at 30.0 degrees C in H(2)O/D(2)O mixtures of deuterium atom fraction n (a proton inventory experiment) obeys the relation k(2)(n) = 0.122 s(-1) M(-1) (1 - n + 1.2n) (1 - n + 0.48n)/(1 - n + 1.4n) (1 - n + 0.68n)(3). This result is interpreted as a process where formation of the tetrahedral intermediate is the rate-determining step and the transition-state complex is formed via nucleophilic interaction of a water molecule with general-base assistance from hydroxide ion, opposite to the direct nucleophilic collision commonly accepted. This mechanistic picture agrees with previous heavy-atom kinetic isotope effect data of Marlier on the alkaline hydrolysis of methyl formate.

  12. Preparation of flower-like CuO by a simple chemical precipitation method and their application as electrode materials for capacitor

    SciTech Connect

    Zhang Hongxia; Feng Jing; Zhang Milin

    2008-12-01

    A novel CuO electrode material with flower-like nanostructures was fabricated at a low temperature (80 deg. C) by a simple chemical precipitation method. Scanning electron microscopy (SEM) results showed that CuO with spherical and flower-like structure can be formed under a weak alkali (C{sub 6}H{sub 12}N{sub 4}), and CuO with sheets structure can be obtained under a strong alkali (NaOH). A possible growth mechanism of CuO nanocrystals was discussed. The flower-like CuO electrode exhibited a higher specific capacitance (133.6 Fg{sup -1}) and an excellent cycle performance at a high current density of 10 mA/cm{sup 2}. Specific capacitance of flower-like CuO was 405.3% higher than globular CuO (26.44 Fg{sup -1}) at 2 mA/cm{sup 2}.

  13. Development of a NiO target for the production of 11C at ISAC/TRIUMF

    NASA Astrophysics Data System (ADS)

    Bricault, Pierre G.; Ames, Friedhelm; Dombsky, Marik; Kunz, Peter; Lassen, Jens; Mjøs, Anders; Wong, John

    2016-01-01

    High intensity 11C beams are necessary for the investigation of the formation of 12C via the nuclear reaction 11C(p, γ)12N → 12C + e+ + ν. The production of intense carbon beams on-line is quite challenging due to the thermodynamic properties and chemical reactivity of carbon at high temperatures. A previous attempt, using a medical isotope cyclotron production method in batch mode, was not conclusive. The intensity obtained was at least one order of magnitude too low for a direct proton capture experiment using the DRAGON facility at ISAC/TRIUMF. Producing a 11C beams using the ISOL method requires a target capable of efficiently releasing the carbon isotopes. NiO has been selected as a target material because most of the nickel carbides are not stable at high temperature. The development of carbon beams using a composite NiO/Ni target on-line is described.

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

    SciTech Connect

    Ebel, Brian A.; Nimmo, John R.

    2009-12-29

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

  15. Development of new deoxycytidine kinase inhibitors and non-invasive in vivo evaluation using Positron Emission Tomography

    PubMed Central

    Murphy, Jennifer M.; Armijo, Amanda L.; Nomme, Julian; Lee, Chi Hang; Smith, Quentin A.; Li, Zheng; Campbell, Dean O.; Liao, Hsiang-I; Nathanson, David A.; Austin, Wayne R.; Lee, Jason T.; Darvish, Ryan; Wei, Liu; Wang, Jue; Su, Ying; Damoiseaux, Robert; Sadeghi, Saman; Phelps, Michael E.; Herschman, Harvey R.; Czernin, Johannes; Alexandrova, Anastassia N.; Jung, Michael E.; Lavie, Arnon; Radu, Caius G.

    2013-01-01

    Combined inhibition of ribonucleotide reductase and deoxycytidine kinase (dCK) in multiple cancer cell lines depletes deoxycytidine triphosphate pools leading to DNA replication stress, cell cycle arrest and apoptosis. Evidence implicating dCK in cancer cell proliferation and survival stimulated our interest in developing small molecule dCK inhibitors. Following a high throughput screen of a diverse chemical library, a structure-activity relationship study was carried out. Positron Emission Tomography (PET) using 18F-L-1-(2′-deoxy-2′-FluoroArabinofuranosyl) Cytosine (18F-L-FAC), a dCK-specific substrate, was used to rapidly rank lead compounds based on their ability to inhibit dCK activity in vivo. Evaluation of a subset of the most potent compounds in cell culture (IC50 = ∼1 – 12 nM) using the 18F-L-FAC PET pharmacodynamic assay identified compounds demonstrating superior in vivo efficacy. PMID:23947754

  16. Microsurgical treatment of peripheral nerve injuries.

    PubMed

    Dolene, V

    1977-01-01

    In the period from 1972 to 1976, 536 patients with injuries of the peripheral nerves were treated at the Neurosurgical University Clinic Lyublyana. The treatment was performed according to the principles of microsurgery. Preoperative and postoperative supervision included EMG, electroneurography and nerve conduction speed. Subdivision: N. facialis 6, plexus brachialis 78, n. radialis 58, n. medianus 189, n. ulnaris 212, n. ischiadicus 17, n. femoralis 3, n. tibialis 12, n. fibularis 37. On the plexus brachialis 50 funiculolyses and 28 raphies were carried out. Immobilisation for 10 days. The length of the transplants showed no negative influence. After-observation was necessary for three and more years, especially in case of plexus injuries. Complete restoration was only found in children. Sensitivity in 80% more than Seddon III, 17% III and 3% less than III. Motor function in 60% IV, 20% III, 12% II and 8% less than II.

  17. Dichotomy between Attractive and Repulsive Tomonaga-Luttinger Liquids in Spin Ladders.

    PubMed

    Jeong, M; Schmidiger, D; Mayaffre, H; Klanjšek, M; Berthier, C; Knafo, W; Ballon, G; Vignolle, B; Krämer, S; Zheludev, A; Horvatić, M

    2016-09-01

    We present a direct NMR method to determine whether the interactions in a Tomonaga-Luttinger liquid (TLL) state of a spin-1/2 Heisenberg antiferromagnetic ladder are attractive or repulsive. For the strong-leg spin ladder compound (C_{7}H_{10}N)_{2}CuBr_{4} we find that the isothermal magnetic field dependence of the NMR relaxation rate T_{1}^{-1}(H) displays a concave curve between the two critical fields bounding the TLL regime. This is in sharp contrast to the convex curve previously reported for a strong-rung ladder, (C_{5}H_{12}N)_{2}CuBr_{4}. We show that the concavity and the convexity of T_{1}^{-1}(H), which is a fingerprint of spin fluctuations, directly reflect the attractive and repulsive fermionic interactions in the TLL, respectively. The interaction sign is alternatively determined from an indirect method combining bulk magnetization and specific heat data. PMID:27636483

  18. Preparation and characterization of two new water-soluble endohedral metallofullerenes as magnetic resonance imaging contrast agents.

    PubMed

    Zhang, Er-Yun; Shu, Chun-Ying; Feng, Lai; Wang, Chun-Ru

    2007-12-27

    Two new water-soluble Gd-containing endohedral metallofullerenes [ScxGd3-xN@C80OmOHn (x = 1, 2; m approximately 12; n approximately 26)] were synthesized in a simple one-step reaction and characterized by Fourier transform (FT)-IR as well as X-ray photoelectron spectroscopy (XPS). Their observed longitudinal relaxivities (R1) for water protons are 20.7 and 17.6 mM(-1) s(-1), respectively, which are significantly higher than that of the commercial magnetic resonance imaging (MRI) contrast agent (Gd-DTPA, 3.2 mM(-1) s(-1)). These results indicate these trimetallic nitride endohedral fullerenols are potential next-generation high-efficiency MRI contrast agents.

  19. Azole. 47. Uber 3-thiomorpholino- und 3-(4-methylpiperazino)-5-nitroindazole.

    PubMed

    Gzella, A; Wrzeciono, U

    2001-10-01

    The structures of 5-nitro-3-thiomorpholino-1H-indazole, C(11)H(12)N(4)O(2)S, (IIa), and 3-(4-methylpiperazino)-5-nitro-1H-indazole-methanol-water (2/1/1), 2C(12)H(15)N(5)O(2).CH(3)OH.H(2)O, (IIIa), are described. In the crystal lattice of (IIa), the molecules are linked into dimers by N-H...N hydrogen bonds. The asymmetric unit of (IIIa) contains two independent molecules of the indazole moiety, one molecule of methanol and one of water. The three components of (IIIa) are linked by hydrogen bonds to form double chains running along the x axis. pi-Stacking involving the indazole moieties occurs in both compounds. PMID:11600780

  20. cis-Dichloridobis­(5,5′-dimethyl-2,2′-bipyridine)­manganese(II) 2.5-hydrate

    PubMed Central

    Lopes, Lívia Batista; Corrêa, Charlane Cimini; Diniz, Renata

    2011-01-01

    The metal site in the title compound [MnCl2(C12H12N2)2]·2.5H2O has a distorted octa­hedral geometry, coordinated by four N atoms of two 5,5′-dimethyl-2,2′-dipyridine ligands and two Cl atoms. Two and a half water molecules of hydration per complex unit are observed in the crystal structure. The compounds extend along the c axis with O—H⋯Cl, O—H⋯O, C—H⋯Cl and C—H⋯O hydrogen bonds and π–π inter­actions [centroid-centroid distance = 3.70 (2) Å] contributing substanti­ally to the crystal packing. The Mn and one of the water O atoms, the latter being half-occupied, are located on special positions, in this case a rotation axis of order 2. PMID:21836893

  1. Metallic layered composite materials produced by explosion welding: Structure, properties, and structure of the transition zone

    NASA Astrophysics Data System (ADS)

    Mal'tseva, L. A.; Tyushlyaeva, D. S.; Mal'tseva, T. V.; Pastukhov, M. V.; Lozhkin, N. N.; Inyakin, D. V.; Marshuk, L. A.

    2014-10-01

    The structure, morphology, and microhardness of the transition zone in multilayer metallic composite joints are studied, and the cohesion strength of the plates to be joined, the mechanical properties of the formed composite materials, and fracture surfaces are analyzed. The materials to be joined are plates (0.1-1 mm thick) made of D16 aluminum alloy, high-strength maraging ZI90-VI (03Kh12N9K4M2YuT) steel, BrB2 beryllium bronze, and OT4-1 titanium alloy. Composite materials made of different materials are shown to be produced by explosion welding. The dependence of the interface shape (smooth or wavelike) on the physicomechanical properties of the materials to be joined is found. The formation of a wavelike interface is shown to result in the formation of intense-mixing regions in transition zones. Possible mechanisms of layer adhesion are discussed.

  2. Measuring sex differences in violence victimization and perpetration within date and same-sex peer relationships.

    PubMed

    Swahn, Monica H; Simon, Thomas R; Arias, Ileana; Bossarte, Robert M

    2008-08-01

    This study examines sex differences in the patterns of repeated perpetration and victimization of physical violence and psychological aggression within dating relationships and same-sex peer relationships. Data were obtained from the Youth Violence Survey: Linkages among Different Forms of Violence, conducted in 2004, and administered to all public school students enrolled in grades 7, 9, 11 and 12 (N = 4,131) in a high-risk school district. Analyses of adolescents who dated in the past year (n = 2,888) show that girls are significantly more likely than boys to report physical violence and psychological aggression perpetration within dating relationships. However, boys are significantly more likely than girls to report physically injuring a date. Boys are also significantly more likely than girls to report physical violence victimization and perpetration within same-sex peer relationships. Implications and directions for future research are discussed.

  3. The impact of science education games on prescription drug abuse attitudes among teens: a case study.

    PubMed

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

    2013-01-01

    Two online science education games, in which players learn about the risks of prescription drug abuse in the context of investigating crimes, were evaluated to determine shifts of prescription drug abuse attitudes attributable to game exposure. High school students from grades 11 and 12 (n = 179) were assigned to one of the games and participated in a pretest, two game-play sessions, and a delayed posttest. Students in both groups demonstrated more negative attitudes toward prescription drug abuse after playing the game, driven by changes of students' normative beliefs and their ability to make the connection between prescription drug abuse and illicit drugs. A secondary aim was to assess gains in science knowledge; however, due to low internal consistency reliabilities of content measures, students' knowledge acquisition could not be determined.

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

    NASA Technical Reports Server (NTRS)

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

    1974-01-01

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

  5. Clinical data exchange standards and vocabularies for messages.

    PubMed

    Huff, S M

    1998-01-01

    Motivation for the creation of electronic data interchange (message) standards is discussed. The ISO Open Systems Interface model is described. Clinical information models, message syntax and structure, and the need for a standardized coded vocabulary are explained. The HIPAA legislation and subsequent HHS transaction recommendations are reviewed. The history and mission statements of six of the most popular message development organizations (MDOs) are summarized, and the data exchange standards developed by these organizations are listed. The organizations described include Health Level Seven (HL7), American Standards for Testing and Materials (ASTM) E31, Digital Image Communication in Medicine (DICOM), European Committee for Standardization (Comité Européen de Normalisation), Technical Committee for Health Informatics (CEN/TC 251), the National Council for Prescription Drug Programs (NCPDP), and Accredited Standards Committee X12 Insurance Subcommittee (X12N). The locations of Internet web sites for the six organizations are provided as resources for further information.

  6. Soft solution synthesis of ZnO films with developed superstructures.

    PubMed

    Long, Tengfa; Yin, Shu; Sato, Tsugio

    2010-07-01

    A novel and simple two-step solution approach to prepare ZnO thin film consisted of 3D flower-like superstructure was demonstrated. The uniform, nano-dimensional scale and sphere-like ZnO crystals were first prepared on the borosilicate glass substrate in mild solution at 95 degrees C for 3 h, then introduced into 0.02 mol L(-1) hexamethylenetetramine (HMT, C6H12N4) aqueous solution and heated at the same temperature for 3 d. The obtained ZnO thin films were characterized by XRD, SEM and photoluminescence. The results indicated that the thin film with 3D flower-like superstructure possessed high crystallinity, high surface-volume ratio microstructure and excellent photoluminescence property. It is a potential way to prepare nano-structured materials by the mentioned simple and novel two-step solution synthesis process.

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

    NASA Astrophysics Data System (ADS)

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

    2003-07-01

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

  8. QED-1 device and measurements of gettering efficiency for a simulated divertor plasma

    SciTech Connect

    Owens, D.K.; Yamada, M.

    1980-03-01

    The QED-1 device at PPL has provided gettering efficiency data for neutralized hydrogen plasma on titanium. The hollow-anode arcjet produces a plasma column 1 cm in diameter with 10/sup 12/ < n/sub e/ < 10/sup 15/ cm/sup -3/ and T/sub i/ approx.< T/sub e/ = 3-10 eV, confined by an axial magnetic field of 1-6 kG. The gettering measurements are based on monitoring neutral gas density with respect to time in the divertor simulation chamber of QED-1. The present results indicate that the plasma particles lose their charge and most of their energy when they strike the neutralizer plate.

  9. Dicarbon­yl(hexa­methyl­ene-1,3,5,7-tetra­mine-κN 1)(η5-penta­methyl­cyclo­penta­dien­yl)iron(II) tetra­fluoridoborate

    PubMed Central

    M’thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Fernandes, Manuel A.

    2012-01-01

    In the title compound, [Fe(C10H15)(C6H12N4)(CO)2]BF4, the arrangement around the FeII atom corresponds to a three-legged piano stool. The penta­methyl­cyclo­penta­dienyl (Cp*) ligand occupies three coordination sites, while two CO ligands and one N atom of the hexa­methyl­ene­tetra­mine ligand occupy the remaining coordination sites, completing a pseudo-octahedral geometry. Both the complex cation and the BF4 − anion reside on crystallographic mirror planes. The Fe—N bond length is 2.069 (2) and the Fe—Cp*(centroid) distance is 1.7452 (3) Å. PMID:22807762

  10. Phase engineering of Schrodinger cat states and nonadiabatic production of squeezed states in Bose-Einstein Condensates in multiple wells

    NASA Astrophysics Data System (ADS)

    Leung, Mary Ann

    2004-03-01

    We propose a model for the generation of Schrödinger cat states of BEC in multiple wells, and also show how squeezed states can be produced nonadiabatically. The condensate in the multiple well evolves, starting with a certain initial phase difference between the neighboring wells, to a state with a well defined entanglement. We propose a general formula for the initial phase difference: j 2 pi/N where j=1,2,..,N-1, and N is the number of wells. We show the generation of cat states for these different phase configurations in two, three and four wells, and thus generalize this method to any number of wells, even or odd. In addition to the macroscopic superposition states, the method can also be used to generate squeezed states in a nonadiabatic fashion. This work was supported by NSF grant PHY-0140091 and the Computational Science Graduate Fellowship program.

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

    PubMed

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

    2011-01-01

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

  12. Synthesis and spectral study of new azo dye and its iron complexes derived from 2-naphthol and 2-amino-3-hydroxypyridine

    NASA Astrophysics Data System (ADS)

    G, Vidya V.; Sadasivan, V.; Meena, S. S.; Bhatt, Pramod

    2014-10-01

    An azodye C5H12N3O2 [LH] is synthesised by coupling diazotised 2-amino-3-hydroxy pyridine with 2-naphthol in ice cold condition. The Fe(II)and Fe(III) complexes were prepared by mixing ethanol solution of metal salt and azodye in 1:2 molar ratio. The dye and metal complexes are structurally characterised by elemental analysis, molar conductance, magnetic susceptibility measurements and spectral techniques like IR, UV-Vis, and Mössbauer analysis. Analytical data suggests the stoichiometry as [FeL2Cl(H2O)] for Fe(III) complex and [FeL2(H2O)] for Fe(II) complex. The IR spectral data suggests that [L-] is acting as a uninegative bidentate ligand. A high spin octahedral geometry is tentatively proposed for both the complexes with respect to the above studies.

  13. Direct writing of Cu-based micro-temperature detectors using femtosecond laser reduction of CuO nanoparticles

    NASA Astrophysics Data System (ADS)

    Mizoshiri, Mizue; Arakane, Shun; Sakurai, Junpei; Hata, Seiichi

    2016-03-01

    Cu-based micro-temperature detectors were fabricated using femtosecond laser reduction of CuO nanoparticles. Cu-based microstructures were directly created by laser scanning on a CuO nanoparticle solution film. Cu-rich and Cu2O-rich microstructures were selectively formed to electrically connect two Cu thin-film electrodes for use in temperature detectors. Cu-rich and Cu2O-rich micro-temperature detectors were fabricated at scanning speeds of 500 and 1000 µm/s, respectively, at a pulse energy of 1.2 nJ. The temperature coefficient of resistance values of the Cu-rich and Cu2O-rich microstructures were positive and negative, respectively; these temperature behaviors are typical of metal and semiconductor materials, respectively.

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

    USGS Publications Warehouse

    Ebel, Brian A.; Nimmo, John R.

    2010-01-01

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

  15. S-5-Amino-2-(dimethyl­ammonio)phenyl sulfothio­ate

    PubMed Central

    Pavlović, Gordana; Racané, Livio; Tralić-Kulenović, Vesna

    2009-01-01

    The title compound, C8H12N2O3S2, has been isolated as a by-product in the synthesis of methyl­ene blue dye. The compound crystallizes with four independent mol­ecules in the unit cell (Z′= 4). The zwitterionic form of the mol­ecule was established on the basis of the hydrogen atom located at the dimethyl­amino group. The crystal structure is dominated by inter­molecular hydrogen bonds of the N—H⋯O type formed between amino and ammonio N—H groups and O atoms from the sulfothio­ate group. There are in addition two weak inter­molecular N—H⋯N inter­actions and some non-conventional C—H⋯O hydrogen bonds. PMID:21583128

  16. S-2-Amino-5-(dimethyl­ammonio)phenyl sulfothio­ate

    PubMed Central

    Pavlović, Gordana; Racané, Livio; Tralić-Kulenović, Vesna

    2009-01-01

    The title compound, C8H12N2O3S2, has been isolated as an inter­mediate in the synthesis of methyl­ene blue dye, the best known phenothia­zine dye, and structurally characterized as a zwitterion. The crystal structure is dominated by inter­molecular N—H⋯O hydrogen bonds between the amine and sulfothio­ate groups, with graph-set motif C(9)R 2 2(8), involving anti­parallel chains and a centrosymmetric eight-membered ring. A hydrogen bond with graph-set motif R 2 2(14) between the ammonium and sulfothio­ate groups completes the two-dimensional network in the ab plane. Inter­molecular C—H⋯O hydrogen bonds are also present in the crystal. PMID:21583084

  17. Crystal structure of 1-methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea

    SciTech Connect

    Habibi, A. Ghorbani, H. S.; Bruno, G.; Rudbari, H. A.; Valizadeh, Y.

    2013-12-15

    The crystal structure of 1-Methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea (C{sub 9}H{sub 12}N{sub 2}O{sub 5}) has been determined by single crystal X-ray diffraction analysis. The crystals are monoclinic, a = 5.3179(2), b = 18.6394(6), c =10.8124(3) Å, β = 100.015(2)°, Z = 4, sp. gr. P2{sub 1}/c, R = 0.0381 for 2537 reflections with I > 2σ(I). Except for C(CH{sub 3}){sub 2} group, the molecule is planar. The structure is stabilized by inter- and intramolecular N-H...O hydrogen bonds and weak C-H...O interactions.

  18. The Effect of Deposition Temperature on the Growth of ZnO Nanorods on Porous Silicon using Sol-gel Immersion Method

    NASA Astrophysics Data System (ADS)

    Amizam, S.; Mamat, M. H.; Khusaimi, Z.; Rafaie, H. A.; Sahdan, M. Z.; Abdullah, S.; Rusop, M.

    2009-06-01

    Zinc Oxide (ZnO) nanorods were grown on porous silicon substrate by sol-gel immersion method, which is containing of zinc nitrate hexahydrate (Zn(NO3)2ṡ6H2O) and hexamethylenetetramine (C6H12N4).ZnO Nanorods prepared under the different deposition temperature. The surface morphology and photoluminescence spectrum of the samples were characterized using scanning electron microscope (SEM), and photoluminescence spectroscope (PL). The result indicated that the ZnO nanorods start to form at 85° C. From the photoluminescence spectrum, it shows that a strong ultra-violet (UV) emission peak and several weak emission peaks related to the deep level excitation de-excitation were detected.

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

    PubMed

    Körner, Wolfgang; Krugel, Georg; Elsässer, Christian

    2016-01-01

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

  20. The effects of Bi4Ti3O12 interfacial ferroelectric layer on the dielectric properties of Au/n-Si structures

    NASA Astrophysics Data System (ADS)

    Gökçen, Muharrem; Yıldırım, Mert

    2015-06-01

    Au/n-Si metal-semiconductor (MS) and Au/Bi4Ti3O12/n-Si metal-ferroelectric-semiconductor (MFS) structures were fabricated and admittance measurements were held between 5 kHz and 1 MHz at room temperature so that dielectric properties of these structures could be investigated. The ferroelectric interfacial layer Bi4Ti3O12 decreased the polarization voltage by providing permanent dipoles at metal/semiconductor interface. Depending on different mechanisms, dispersion behavior was observed in dielectric constant, dielectric loss and loss tangent versus bias voltage plots of both MS and MFS structures. The real and imaginary parts of complex modulus of MFS structure take smaller values than those of MS structure, because permanent dipoles in ferroelectric layer cause a large spontaneous polarization mechanism. While the dispersion in AC conductivity versus frequency plots of MS structure was observed at high frequencies, for MFS structure it was observed at lower frequencies.

  1. Design and synthesis of spirocyclic compounds as HCV replication inhibitors by targeting viral NS4B protein.

    PubMed

    Tai, Vincent W-F; Garrido, Dulce; Price, Daniel J; Maynard, Andrew; Pouliot, Jeffrey J; Xiong, Zhiping; Seal, John W; Creech, Katrina L; Kryn, Luz H; Baughman, Todd M; Peat, Andrew J

    2014-05-15

    Two novel series of spirocyclic piperidine analogs appended to a pyrazolo[1,5-a]pyridine core were designed, synthesized and evaluated for their anti-HCV activity. A series of piperidine ketals afforded dispiro 6p which showed excellent in vitro anti-HCV activities (EC50 of 1.5nM and 1.2nM against genotype 1a and 1b replicons, respectively). A series of piperidine oxazolidinones afforded 27c which showed EC50's of 10.9nM and 6.1nM against 1a and 1b replicons, respectively. Both compounds 6p and 27c bound directly to non-structural NS4B protein in vitro (IC50's=10.2 and 30.4nM, respectively) and exhibited reduced potency in replicons containing resistance mutations encoding changes in the NS4B protein.

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

    PubMed

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

    2012-08-01

    The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate C(3)H(12)N(12)O(2) (TAG-MNT) have been investigated at room pressure and under high pressure isothermal compression using powder x-ray diffraction and Raman and infrared spectroscopy. A stiffening of the equation of state and concomitant structural relaxation between 6 and 14 GPa are found to correlate with Raman mode disappearances, frequency discontinuities, and changes in the pressure dependence of modes. These observations manifest the occurrence of a reversible martensitic structural transformation to a new crystalline phase. The onset and vanishing of Fermi resonance in the nitrimine group correlate with the stiffening of the equation of state and phase transition, suggesting a possible connection between these phenomena. Beyond 15 GPa, pressure induces irreversible chemical reactions, culminating in the formation of a polymeric phase by 60 GPa. PMID:22894358

  3. Crystal chemistry of the natural vanadium bronzes

    USGS Publications Warehouse

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

    1990-01-01

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

  4. 4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione

    PubMed Central

    Fun, Hoong-Kun; Liew, Wei-Ching; Vijesh, A. M.; Padaki, Mahesh; Isloor, Arun M.

    2009-01-01

    The asymmetric unit of the title compound, C10H12N4OS, contains two independent mol­ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94 (5)° in mol­ecule A and 77.60 (5)° in mol­ecule B. In the crystal, mol­ecules are linked into a three-dimensional network by N—H⋯S, N—H⋯O, N—H⋯N and C—H⋯S hydrogen bonds and π–π inter­actions between the benzene and triazole rings [centroid–centroid distance = 3.5311 (6) Å] are also present. PMID:21583598

  5. Survival after local treatment for early breast cancer.

    PubMed

    Hacking, E A; Dent, D M; Gudgeon, C A; Prescott, R

    1985-05-25

    A 10-year survival rate of 82% was found in 517 women with early localized breast cancer (pathological stage T1-2N0M0) who had been treated with local therapy alone (total mastectomy and axillary clearance). Factors influencing survival were tumour size (T1 versus T2) and age; patients older than 50 years fared better than younger patients at 5 years but this advantage had disappeared at 10 years. Receptor status influenced disease-free survival, but not survival. Recurrence developed in 93 patients--systemic in 46 and local in 47. Support for the contention that all breast cancer is systemic was thus not found at 10 years, and the value of local therapy alone in node-negative women was endorsed.

  6. Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb­oxamide

    PubMed Central

    Zhong, Qi-Di; Hu, Sheng-Quan; Yan, Hong

    2016-01-01

    In the title compound, C13H12N2O2 (I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intra­molecular N—H⋯O hydrogen bond forming an S(7) ring motif. In the crystal, mol­ecules are linked via a pair of N—H⋯O hydrogen bonds forming inversion dimers. C—H⋯O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H⋯π inter­actions forming layers parallel to the ac plane. PMID:26958371

  7. Methyl N′-[(E)-2-methoxy­benzyl­idene]­hydrazinecarboxyl­ate

    PubMed Central

    Lv, Lu-Ping; Yu, Wen-Bo; Lu, Zhong-Hao; Li, Wei-Wei; Hu, Xian-Chao

    2009-01-01

    The title compound, C10H12N2O3, crystallizes with two independent mol­ecules in the asymmetric unit. The side chains in the two independent mol­ecules have slightly different orientations, with the C=N—N—C torsion angle being 169.19 (14)° in one of the mol­ecules and −179.86 (14)° in the other. Each independent mol­ecule adopts a trans configuration with respect to the C=N bond. In the crystal structure, mol­ecules are linked into chains running along [001] by N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds. In addition, an inter­molecular C—H⋯π inter­action is observed. PMID:21583900

  8. A six-year follow-up study of determinants of heavy cigarette smoking among high-school seniors.

    PubMed

    Griffin, K W; Botvin, G J; Doyle, M M; Diaz, T; Epstein, J A

    1999-06-01

    Most adult cigarette smokers start smoking during adolescence. Few studies, however, have focused on adolescents that are heavy smokers. The present study examined how several risk and protective factors measured during early adolescence were associated with heavy smoking in a sample of high-school seniors. As part of a school-based survey, seventh-grade students (N = 743) reported degrees of experimentation with psychoactive substances and several psychosocial factors deemed to be important in the etiology of smoking. Students were followed-up in the twelfth grade, when 12% (n = 88) smoked a pack of cigarettes or more each day. Logistic regression analyses revealed that heavy smoking was predicted by several earlier variables: poor grades, experimentation with cigarettes or alcohol, a mother or many friends that smoked, and high risk-taking in the seventh grade. Antismoking attitudes and those of one's parents and friends predicted less later heavy smoking in girls only. Implications for smoking prevention are discussed.

  9. 2,2′-(1,3-Diazinane-1,3-di­yl)diaceto­nitrile: a second monoclinic polymorph

    PubMed Central

    Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal

    2011-01-01

    A new monoclinic polymorph of the title compound, C8H12N4, in the space group P21/n (Z = 4) is reported. The previously known form was also monoclinic, P21 /c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993 ▶). Acta Cryst. C49, 354–355]. The hexa­hydro­pyrimidine ring of the title compound adopts a chair conformation with a diequatorial substitution and with the CH2-C N groups oriented nearly parallel and in the same direction [NC—CH2⋯CH2—CN pseudo torsion angle = −6.27 (18)°]. In the crystal, inter­molecular C—H⋯ N hydrogen bonds connects the mol­ecules into a chain along the b axis. PMID:22065712

  10. 2-Oxo-4-(thio-phen-2-yl)-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbonitrile.

    PubMed

    Asiri, Abdullah M; Faidallah, Hassan M; Al-Youbi, Abdulrahman O; Alamry, Khalid A; Ng, Seik Weng

    2011-09-01

    In the mol-ecule of the title compound, C(18)H(12)N(2)OS, the tetra-hydro-benzo[h]quinoline fused-ring system is buckled owing to the ethyl-ene -CH(2)CH(2)- fragment, the benzene ring and the pyridine ring being twisted by 16.0 (1)°. The 4-substituted aromatic ring is bent away from the pyridine ring by 59.5 (2)° (for the major disordered thienyl component) in order to avoid crowding the cyanide substituent. In the crystal, two mol-ecules are linked by a pair of N-H⋯O hydrogen bonds to form a centrosymmetric dimer. The thienyl ring is disordered over two sites in a 72.7 (2):27.3 ratio. PMID:22065622

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

    NASA Astrophysics Data System (ADS)

    Kim, Seok; Sitti, Metin

    2006-12-01

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

  12. Isospin decomposition of γ N →N* transitions within a dynamical coupled-channels model

    NASA Astrophysics Data System (ADS)

    Kamano, H.; Nakamura, S. X.; Lee, T.-S. H.; Sato, T.

    2016-07-01

    By extending the dynamical coupled-channels analysis performed in our previous work [Phys. Rev. C 88, 035209 (2013)], 10.1103/PhysRevC.88.035209 to include the available data of photoproduction of π mesons off neutrons, the transition amplitudes for the photoexcitation of the neutron-to-nucleon resonances, γ n →N* , at the resonance pole positions are determined. The combined fits to the data for both the proton- and neutron-target reactions also revise our results for the resonance pole positions and the γ p →N* transition amplitudes. Our results allow an isospin decomposition of the γ N →N* transition amplitudes for the isospin I =1/2 N* resonances, which is necessary for testing hadron structure models and gives crucial inputs for constructing models of neutrino-induced reactions in the nucleon resonance region.

  13. Spectroscopy of the three-photon laser excitation of cold Rubidium Rydberg atoms in a magneto-optical trap

    SciTech Connect

    Entin, V. M.; Yakshina, E. A.; Tretyakov, D. B.; Beterov, I. I.; Ryabtsev, I. I.

    2013-05-15

    The spectra of the three-photon laser excitation 5S{sub 1/2} {yields} 5P{sub 3/2} {yields} 6S{sub 1/2}nP of cold Rb Rydberg atoms in an operating magneto-optical trap based on continuous single-frequency lasers at each stage are studied. These spectra contain two partly overlapping peaks of different amplitudes, which correspond to coherent three-photon excitation and incoherent three-step excitation due to the presence of two different ways of excitation through the dressed states of intermediate levels. A four-level theoretical model based on optical Bloch equations is developed to analyze these spectra. Good agreement between the experimental and calculated data is achieved by introducing additional decay of optical coherence induced by a finite laser line width and other broadening sources (stray electromagnetic fields, residual Doppler broadening, interatomic interactions) into the model.

  14. A Potent and Highly Efficacious Bcl-2/Bcl-xL Inhibitor

    PubMed Central

    McEachern, Donna; Yang, Chao-Yie; Meagher, Jennifer; Stuckey, Jeanne; Wang, Shaomeng

    2013-01-01

    Our previously reported Bcl-2/Bcl-xL inhibitor, 4, effectively inhibited tumor growth but failed to achieve complete regression in vivo. We have now performed extensive modifications on its pyrrole core structure, which has culminated in the discovery of 32 (BM-1074). Compound 32 binds to Bcl-2 and Bcl-xL proteins with Ki values of < 1 nM and inhibits cancer cell growth with IC50 values of 1-2 nM in four small-cell lung cancer cell lines sensitive to potent and specific Bcl-2/Bcl-xL inhibitors. Compound 32 is capable of achieving rapid, complete and durable tumor regression in vivo at a well-tolerated dose-schedule. Compound 32 is the most potent and efficacious Bcl-2/Bcl-xL inhibitor reported to date. PMID:23448298

  15. Dual Reaction-Based Multimodal Assay for Dopamine with High Sensitivity and Selectivity Using Functionalized Gold Nanoparticles.

    PubMed

    Zeng, Zhanghua; Cui, Bo; Wang, Yan; Sun, Changjiao; Zhao, Xiang; Cui, Haixin

    2015-08-01

    A simple and dual chemical reaction-based multimodal assay for dopamine with high sensitivity and selectivity using two types of functionalized gold nanoparticles (FB-AuNPs/NsNHS-AuNPs), i.e. fluorescein modified gold nanoparticles (FB-AuNPs) and Nile blue modified gold nanoparticles (NsNHS-AuNPs), was successfully fabricated. This assay for dopamine presents colorimetric visualization and double channel fluorescence enhancement at 515 and 665 nm. The absorbance and fluorescence changes were linearly proportional to the amounts of dopamine in the range of nanomolar scale (5-100 nM). The detection limits for absorbance and fluorescence were as low as 1.2 nM and 2.9 nM (S/N = 3), respectively. Furthermore, the extent application of this multimodal assay has been successfully demonstrated in human urine samples with high reliability and applicability, showing remarkable promise in diagnostic purposes.

  16. Global Solution to the Incompressible Inhomogeneous Navier-Stokes Equations with Some Large Initial Data

    NASA Astrophysics Data System (ADS)

    Xu, Huan; Li, Yongsheng; Chen, Fei

    2016-07-01

    In this paper, we prove that the incompressible inhomogeneous Navier-Stokes equations have a unique global solution with initial data {(a_0,u_0)} in critical Besov spaces {dot{B}_{q,1}^{n/q}({R}n)×dot{B}_{p,1}^{n/p-1}({R}n)} satisfying a nonlinear smallness condition for all {(p,q)in[1,2n)×[1,∞)} , {-1/n ≤ 1/p - 1/q ≤ 1/n} and {1/p + 1/q > 1/n} . We also construct an initial data satisfying that nonlinear smallness condition, but the norm of each component of the initial velocity field can be arbitrarily large in {dot{B}_{p,1}^{n/p-1}({R}n)} with {n < p < 2n}.

  17. cis-Chloridobis(4,4'-dimethyl-2,2'-bipyridine-κ(2)N,N')oxidovanadium(IV) chloride ethanol monosolvate monohydrate.

    PubMed

    Shirvan, Sadif A; Haydari Dezfuli, Sara; Golabi, Elyas; Gholamzadeh, Mohammad Amin

    2012-10-01

    In the title compound, [VClO(C(12)H(12)N(2))(2)]Cl·C(2)H(5)OH·H(2)O, the V(IV) atom is six-coordinated in a distorted octa-hedral geometry by four N atoms from two 4,4'-dimethyl-2,2'-bipyridine ligands, one O atom and one Cl atom. In the crystal, O-H⋯Cl, C-H⋯O and C-H⋯Cl hydrogen bonds and π-π contacts between the pyridine rings [centroid-centroid distances = 3.7236 (17) and 3.6026 (19) Å] stabilize the structure. Intra-molecular C-H⋯O and C-H⋯Cl hydrogen bonds are also present.

  18. Neutron and gamma irradiation damage to organic materials.

    SciTech Connect

    White, Gregory Von, II; Bernstein, Robert

    2012-04-01

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

  19. Crystal structure of bis­[μ-1,2-bis­(di­phenyl­phosphan­yl)ethane-κ2 P:P′]bis[(N,N′-di­ethyl­thio­urea-κS)iodidocopper(I)

    PubMed Central

    Khongsichan, Ladawan; Nimthong-Roldán, Arunpatcha; Pakawatchai, Chaveng; Wongnawa, Sumpun

    2015-01-01

    The binuclear title complex, [Cu2I2(C26H24P2)2(C5H12N2S)2], lies about an inversion centre. The CuI atom displays a distorted tetra­hedral coordination geometry defined by one S atom of an N,N′-di­ethyl­thio­urea ligand, two P atoms derived from two bridging 1,2-bis­(di­phenyl­phosphan­yl)ethane (dppe) ligands and one iodide ion. The dppe ligand bridges two symmetry-related CuI ions, forming a 10-membered Cu2P4C4 ring. An intra­molecular N—H⋯I hydrogen bond is noted. In the crystal, N—H⋯I hydrogen bonds link complex mol­ecules into layers parallel to (-101). PMID:26396862

  20. Hexamethylenetetramine-4-nitrocatechol-water (1/2/1).

    PubMed

    Chantrapromma, Suchada; Usman, Anwar; Fun, Hoong Kun; Poh, Bo Long; Karalai, Chatchanok

    2002-11-01

    In the title adduct, 1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane-4-nitrobenzene-1,2-diol-water (1/2/1), C(6)H(12)N(4).2C(6)H(5)NO(4).H(2)O, the hexamethylenetetramine molecule acts as an acceptor of intermolecular O-H.N hydrogen-bonding interactions from the water molecule and the hydroxy groups of one of the two symmetry-independent 4-nitrocatechol molecules. The structure is built from molecular layers which are stabilized by three intermolecular O-H.O, two intermolecular O-H.N and four intermolecular C-H.O hydrogen bonds. The layers are further interconnected by one additional intermolecular O-H.N and two intermolecular C-H.O hydrogen bonds.

  1. Gradient corrections to the local-density approximation for trapped superfluid Fermi gases

    SciTech Connect

    Csordas, Andras; Almasy, Orsolya; Szepfalusy, Peter

    2010-12-15

    Two species superfluid Fermi gas is investigated on the BCS side up to the Feshbach resonance. Using the Greens's function technique gradient corrections are calculated to the generalized Thomas-Fermi theory including Cooper pairing. Their relative magnitude is found to be measured by the small parameter (d/R{sub TF}){sup 4}, where d is the oscillator length of the trap potential and R{sub TF} is the radial extension of the density n in the Thomas-Fermi approximation. In particular, at the Feshbach resonance the universal corrections to the local density approximation are calculated and a universal prefactor {kappa}{sub W}=7/27 is derived for the von Weizsaecker-type correction {kappa}{sub W}(({h_bar}/2{pi}){sup 2}/2m)({nabla}{sup 2}n{sup 1/2}/n{sup 1/2}).

  2. Preparation and Luminescence Properties of Eu2+-ACTIVATED Ba-Six-O-N Phosphors

    NASA Astrophysics Data System (ADS)

    Zhang, Ruili; Numata, Manaka; Maeda, Tomonori; Akazawa, Yuji; Murai, Kei-Ichiro; Moriga, Toshihiro

    A series of oxonitridosilicates phosphors Ba-Six-O-N /Eu2+ (x=Si/Ba=1~8, 5atom% Eu2+) were synthesized using traditional solid-state reaction. For x = 2~8, the main phase of the obtained samples was Ba3Si6O12N2. All Ba-Six-O-N /Eu2+ (x = 1~8) materials could be efficiently excited in the UV to visible region(310~450nm) and had a green emission at 508~522nm, making them attractive as conversion phosphors for white LED applications. With increasing x values, the emission peaks shifted to the longer wavelength region, while the emission intensity had a maximum at x = 6. The influence of the firing times was also discussed, after twice fired, there was a tendency of single-phased formed of the obtained materials and the emission intensity was greatly improved.

  3. Dissolved methane concentration profiles and air-sea fluxes from 41°S to 27°N

    NASA Astrophysics Data System (ADS)

    Kelley, Cheryl A.; Jeffrey, Wade H.

    2002-07-01

    Water column samples from a transect cruise from southern Chile through the Panama Canal to the Gulf of Mexico were used to determine dissolved methane depth profiles and air-sea methane fluxes. In the Gulf of Mexico, surface concentrations were approximately 40% supersaturated with respect to the atmosphere, whereas near the equator and in the Peru upwelling region, 10-20% supersaturation generally occurred. These saturation ratios translate into an average flux of methane from the sea surface to the atmosphere of 0.38 μmol m-2 d-1. In addition, water column profiles of dissolved methane indicate that subsurface maxima in dissolved methane concentrations are a consistent feature of the open ocean, except near the equator. At the equator, the subsurface peak at the base of the mixed layer may be bowed down by the Equatorial Undercurrent. The highest methane concentration (12 nM) was observed in the Peru upwelling region.

  4. Crystal structure of 2,5-di-methyl-anilinium salicylate.

    PubMed

    Mani, A; Kumar, P Praveen; Chakkaravarthi, G

    2015-09-01

    The title mol-ecular salt, C8H12N(+)·C7H5O3 (-) arose from the proton-transfer reaction between 2,5-xylidine and salicylic acid. In the anion, the dihedral angle between the planes of the aromatic ring and the -CO2 (-) group is 11.08 (8)°; this near planarity is consolidated by an intra-molecular O-H⋯O hydrogen bond. In the crystal, the components are connected by N-H⋯O hydrogen bonds, with all three O atoms in the anion acting as acceptors; the result is a [100] chain. The structure also features weak C-H⋯O bonds and aromatic π-π stacking [centroid-to-centroid distance = 3.7416 (10) Å] inter-actions, which lead to a three-dimensional network. PMID:26396881

  5. Measuring the van der Waals forces between a Rydberg atom and a metallic surface

    SciTech Connect

    Anderson, A.; Haroche, S.; Hinds, E.A.; Jhe, W.; Meschede, D.

    1988-05-01

    We have observed the deflection of Rydberg atoms towards a metallic surface by the van der Waals force. Cs and Na atoms in states of principal quantum number n were sent between two parallel gold-coated mirrors, spaced by a gap w (2.1 ..mu..mless than or equal towless than or equal to8.5 ..mu..m). We measured the value n/sub m/ at which the transmission cuts off and from the variation of n/sub m/ versus w, we obtained a measure of the atom-surface interaction. For 12<n<30 this interaction is 3--4 orders of magnitude larger than for ground-state atoms, and it obeys the scaling laws of the Lennard-Jones model.

  6. Communication: An efficient algorithm for evaluating the Breit and spin-spin coupling integrals

    NASA Astrophysics Data System (ADS)

    Shiozaki, Toru

    2013-03-01

    We present an efficient algorithm for evaluating a class of two-electron integrals of the form {r}_{12}⊗ {r}_{12}/r_{12}^n over one-electron Gaussian basis functions. The full Breit interaction in four-component relativistic theories beyond the Gaunt term is such an operator with n = 3. Another example is the direct spin-spin coupling term in the quasi-relativistic Breit-Pauli Hamiltonian (n = 5). These integrals have been conventionally evaluated by expensive derivative techniques. Our algorithm is based on tailored Gaussian quadrature, similar to the Rys quadrature for electron repulsion integrals (ERIs), and can utilize the so-called horizontal recurrence relation to reduce the computational cost. The CPU time for computing all six Cartesian components of the Breit or spin-spin coupling integrals is found to be only 3 to 4 times that of the ERI evaluation.

  7. Communication: An efficient algorithm for evaluating the Breit and spin-spin coupling integrals.

    PubMed

    Shiozaki, Toru

    2013-03-21

    We present an efficient algorithm for evaluating a class of two-electron integrals of the form r12⊗r12/r12(n) over one-electron Gaussian basis functions. The full Breit interaction in four-component relativistic theories beyond the Gaunt term is such an operator with n = 3. Another example is the direct spin-spin coupling term in the quasi-relativistic Breit-Pauli Hamiltonian (n = 5). These integrals have been conventionally evaluated by expensive derivative techniques. Our algorithm is based on tailored Gaussian quadrature, similar to the Rys quadrature for electron repulsion integrals (ERIs), and can utilize the so-called horizontal recurrence relation to reduce the computational cost. The CPU time for computing all six Cartesian components of the Breit or spin-spin coupling integrals is found to be only 3 to 4 times that of the ERI evaluation. PMID:23534619

  8. Strong profiling is not mathematically optimal for discovering rare malfeasors

    SciTech Connect

    Press, William H

    2008-01-01

    In a large population of individuals labeled j = 1,2,...,N, governments attempt to find the rare malfeasor j = j, (terrorist, for example) by making use of priors p{sub j} that estimate the probability of individual j being a malfeasor. Societal resources for secondary random screening such as airport search or police investigation are concentrated against individuals with the largest priors. They may call this 'strong profiling' if the concentration is at least proportional to p{sub j} for the largest values. Strong profiling often results in higher probability, but otherwise innocent, individuals being repeatedly subjected to screening. They show here that, entirely apart from considerations of social policy, strong profiling is not mathematically optimal at finding malfeasors. Even if prior probabilities were accurate, their optimal use would be only as roughly the geometric mean between a strong profiling and a completely uniform sampling of the population.

  9. Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carb-oxamide.

    PubMed

    Zhong, Qi-Di; Hu, Sheng-Quan; Yan, Hong

    2016-02-01

    In the title compound, C13H12N2O2 (I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intra-molecular N-H⋯O hydrogen bond forming an S(7) ring motif. In the crystal, mol-ecules are linked via a pair of N-H⋯O hydrogen bonds forming inversion dimers. C-H⋯O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C-H⋯π inter-actions forming layers parallel to the ac plane. PMID:26958371

  10. 3-Hy-droxy-2,2-bis-(1H-pyrazol-1-yl)-cyclo-penta-none.

    PubMed

    Rybakov, Victor B; Utkina, Anastasia A; Kurkin, Alexander V; Yurovskaya, Marina A

    2012-03-01

    The title compound, C(11)H(12)N(4)O(2), was unexpectedly obtained in the reaction of α,α'-disubstituted cyclo-penta-none with 1,1,3,3-tetra-meth-oxy-propane in the presence of dioxane saturated with HCl. It belongs to a previously unknown class of gem-bihetaryl ketones which may be useful for screening of new substances with biological activity. In the studied structure, the cyclo-penta-none moiety adopts an envelope conformation, with the hy-droxy-bearing C atom as the flap [deviation from basal plane = 0.643 (3) Å]. The dihedral angle between the two pyrazole rings is 80.02 (8)°. In the crystal, inversion dimers are formed via a pair of O-H⋯N hydrogen bonds. PMID:22412705

  11. Influence of diamond and graphite bonds on mechanical properties of DLC thin films

    NASA Astrophysics Data System (ADS)

    Písařík, Petr; Jelínek, Miroslav; Kocourek, Tomáš; Remsa, Jan; Zemek, Josef; Lukeš, Jaroslav; Šepitka, Josef

    2015-03-01

    Mechanical properties of diamond-like carbon thin films with various ratios of sp3/sp2 bonds were studied. The films were prepared in argon atmosphere (0.25 Pa) by laser deposition method for laser energy densities from 4 J·cm-2 to 14 J·cm-2. The sp2 and sp3 bonds were calculated by X-ray photoelectron spectroscopy. Films contained sp3 bonds up to 70 %. Surface properties as roughness and atomic force microscopy topology were measured. Hardness (and reduced Young's modulus) were determined by nanoindentation and reached of 30 GPa (203 GPa). Films adhesion was studied using scratch test and was up to 12 N for biomedical alloy (titanium substrates - Ti-6Al-4V). Relations among deposition conditions and measured properties are presented.

  12. Graphitic carbon nitride nanosheets: one-step, high-yield synthesis and application for Cu2+ detection.

    PubMed

    Cheng, Ningyan; Jiang, Ping; Liu, Qian; Tian, Jingqi; Asiri, Abdullah M; Sun, Xuping

    2014-10-21

    In this article we report on the one-step, rapid, high-yield synthesis of graphitic carbon nitride (g-C3N4) nanosheets for the first time. The nanosheets were obtained by pyrolyzing a melamine-KBH4 mixture under Ar. As a fluorosensor for Cu(2+), the g-C3N4 nanosheets exhibit a detection limit as low as 0.5 nM and high selectivity in buffer solutions, and this sensor was applied to the analysis of lake water samples. The electrogenerated chemiluminescence (ECL) behavior of the g-C3N4 nanosheets using Na2S2O8 as the coreactant was also studied. Results suggest that the ECL intensity of the g-C3N4 nanosheets was linear over concentrations of 0-45 nM, with a detection limit of 1.2 nM for Cu(2+). PMID:25134657

  13. Beta-delayed multi-particle emission in proton rich nuclei

    NASA Astrophysics Data System (ADS)

    Borge, M. J. G.; Axelsson, L.; Äystö, J.; Bergmann, U. C.; Boutami, R.; Deendoven, P.; Fraile, L. M.; Fynbo, H. O. U.; Honkanen, A.; Hornshøj, P.; Huikari, J.; Jokinen, A.; Jonson, B.; Markenroth, K.; Martel, I.; Mukha, I.; Nilsson, T.; Nyman, G.; Oinonen, M.; Prezado, Y.; Riisager, K.; Tengblad, O.; Rolander, K. Wilhelmsen

    2002-04-01

    In this contribution examples of the application of new technologies to disentangle the mechanism of beta-delayed multi-particle emission are given. In particular the mechanism of β-delayed two-proton emission from 31Ar is resolved and proved to be sequential, both for isospin allowed and isospin forbidden transitions. The analysis of the 9C decay has been focused in the study of the 12.2 MeV state in 9B. The decay of this state to pαα occurs sequentially, partial decay branches through the 8Be(0+,2+) and 5Li(3/2-,1/2-) intermediate states have been determined. A BGT value of 1.20(15) is deduced, compared with the BGT-value of the mirror transition, a asymmetry factor δ=3.7(12) is obtained, the largest ever observed. A preview of β3α data from 12N decay is discussed. .

  14. 4-Acetyl-3-[2-(eth­oxy­carbon­yl)phen­yl]sydnone

    PubMed Central

    Grossie, David; Harrison, Leanna; Turnbull, Kenneth

    2013-01-01

    Sydnones, which contain a mesoionic five-membered heterocyclic ring, are more stable if synthesized with an aromatic substutuent at the N3 position. In the title compound {sys­tematic name: 4-acetyl-3-[2-(eth­oxy­carbon­yl)phen­yl]-1,2,3-oxa­diazol-3-ylium-5-olate}, C13H12N2O5, the aromatic substitutent is 2-(eth­oxy­carbon­yl)phenyl. Intra- and inter­molecular hydrogen bonds are observed. The inter­planar angle between the sydnone and benzene rings is 71.94 (8)°. π-ring⋯carbon­yl inter­actions of 3.2038 (16) Å arise between the sydnone ring and a symmetry-related C=O group. PMID:24454098

  15. Control of friction at the nanoscale

    DOEpatents

    Barhen, Jacob; Braiman, Yehuda Y.; Protopopescu, Vladimir

    2010-04-06

    Methods and apparatus are described for control of friction at the nanoscale. A method of controlling frictional dynamics of a plurality of particles using non-Lipschitzian control includes determining an attribute of the plurality of particles; calculating an attribute deviation by subtracting the attribute of the plurality of particles from a target attribute; calculating a non-Lipschitzian feedback control term by raising the attribute deviation to a fractionary power .xi.=(2m+1)/(2n+1) where n=1, 2, 3 . . . and m=0, 1, 2, 3 . . . , with m strictly less than n and then multiplying by a control amplitude; and imposing the non-Lipschitzian feedback control term globally on each of the plurality of particles; imposing causes a subsequent magnitude of the attribute deviation to be reduced.

  16. A new materials irradiation facility at the Kyoto university reactor

    NASA Astrophysics Data System (ADS)

    Yoshiie, T.; Hayashi, Y.; Yanagita, S.; Xu, Q.; Satoh, Y.; Tsujimoto, H.; Kozuka, T.; Kamae, K.; Mishima, K.; Shiroya, S.; Kobayashi, K.; Utsuro, M.; Fujita, Y.

    2003-02-01

    A new materials irradiation facility with improved control capabilities has been installed at the Kyoto University Reactor (KUR). Several deficiencies of conventional fission neutron material irradiation systems have been corrected. The specimen temperature is controlled both by an electric heater and by the helium pressure in the irradiation tube without exposure to neutrons at temperatures different from the design test conditions. The neutron spectrum is varied by the irradiation position. Irradiation dose is changed by pulling the irradiation capsule up and down during irradiation. Several characteristics of the irradiation field were measured. The typical irradiation intensity is 9.4×10 12 n/cm 2 s (>0.1 MeV) and the irradiation temperature of specimens is controllable from 363 to 773 K with a precision of ±2 K.

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

    PubMed Central

    Körner, Wolfgang; Krugel, Georg; Elsässer, Christian

    2016-01-01

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

  18. Representations of S{sub {infinity}} admissible with respect to Young subgroups

    SciTech Connect

    Nessonov, Nikolai I

    2012-03-31

    Let N be the set of positive integers and S{sub {infinity}} the set of finite permutations of N. For a partition {Pi} of the set N into infinite parts A{sub 1},A{sub 2},... we denote by S{sub {Pi}} the subgroup of S{sub {infinity}} whose elements leave invariant each of the sets A{sub j}. We set S{sub {infinity}}{sup (N)}={l_brace}s element of S{sub {infinity}:} s(i)=i for any i=1,2,...,N{r_brace}. A factor representation T of the group S{sub {infinity}} is said to be {Pi}-admissible if for some N it contains a nontrivial identity subrepresentation of the subgroup S{sub {Pi}} intersection S{sub {infinity}}{sup (N)}. In the paper, we obtain a classification of the {Pi}-admissible factor representations of S{sub {infinity}}. Bibliography: 14 titles.

  19. Neutrino reactions on {sup 12}C by the quasiparticle random-phase approximation (QRPA)

    SciTech Connect

    Cheoun, Myung-Ki; Ha, Eunja; Lee, Su Youn; Kim, K. S.; So, W. Y.; Kajino, Toshitaka

    2010-02-15

    We applied the quasiparticle random-phase approximation to neutrino reactions on {sup 12}C target. The quasiparticle random-phase approximation (QRPA) has been found to successfully explain the nuclear {beta} and {beta}{beta} decays. To describe neutrino-nucleus reactions, various multipole transitions by weak interactions with finite momentum transfers are added to the Gamow Teller transition in the {beta} decays. Our results are shown to well reproduce most of experimental data for neutrino reactions on {sup 12}C target. In particular, energy dependence of cross sections for the exclusive reaction, {sup 12}C(nu{sub e},e{sup -}){sup 12}N{sub g.s.(1+)}, is discussed in detail by comparing the QRPA calculations to related experimental data.

  20. Crystal structure of l-tryptophan-fumaric acid-water (1/1/1).

    PubMed

    Caroline, M Lydia; Kumaresan, S; Aravindan, P G; Mohamed, M Peer; Mani, G

    2015-09-01

    In the title compound, C11H12N2O2·C4H4O4·H2O, the l-tryp-to-phan mol-ecule crystallized as a zwitterion, together with a neutral fumaric acid mol-ecule and a water solvent mol-ecule. In the crystal, the three components are linked by a series of N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming slabs lying parallel to (001). The slabs are connected by O-H⋯O hydrogen bonds, involving inversion-related fumaric acid groups, leading to the formation of a three-dimensional structure.

  1. Dynamical configurations of celestial systems comprised of multiple irregular bodies

    NASA Astrophysics Data System (ADS)

    Jiang, Yu; Zhang, Yun; Baoyin, Hexi; Li, Junfeng

    2016-09-01

    This manuscript considers the main features of the nonlinear dynamics of multiple irregular celestial body systems. The gravitational potential, static electric potential, and magnetic potential are considered. Based on the three established potentials, we show that three conservative values exist for this system, including a Jacobi integral. The equilibrium conditions for the system are derived and their stability analyzed. The equilibrium conditions of a celestial system comprised of n irregular bodies are reduced to 12n - 9 equations. The dynamical results are applied to simulate the motion of multiple-asteroid systems. The simulation is useful for the study of the stability of multiple irregular celestial body systems and for the design of spacecraft orbits to triple-asteroid systems discovered in the solar system. The dynamical configurations of the five triple-asteroid systems 45 Eugenia, 87 Sylvia, 93 Minerva, 216 Kleopatra, and 136617 1994CC, and the six-body system 134340 Pluto are calculated and analyzed.

  2. Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo­phenyl N-(pyridin-3-yl)carbamate monohydrates

    PubMed Central

    Mocilac, Pavle; Gallagher, John F.

    2015-01-01

    The title carbamate monohydrates, C13H12N2O2·H2O and C12H9BrN2O2·H2O, form isomorphous crystals that are isostructural in their primary hydrogen-bonding modes. In both carbamates, the primary hydrogen bonding and aggregation involves cyclic amide–water–pyridine moieties as (N—H⋯O—H⋯N)2 dimers about inversion centres [as R 4 4(14) rings], where the participation of strong hydrogen-bonding donors and acceptors is maximized. The remaining water–carbonyl O—H⋯O=C inter­action extends the aggregation into two-dimensional planar sheets that stack parallel to the (100) plane. The Br derivative does not participate in halogen bonding. A weak intra­molecular C—H⋯O hydrogen bond is observed in each compound. PMID:26594512

  3. Fabrication of Poly (methyl methacrylate) and Poly(vinyl alcohol) Thin Film Capacitors on Flexible Substrates

    NASA Astrophysics Data System (ADS)

    Salim, Bindu; Meenaa Pria KNJ, Jaisree; Alagappan, M.; Kandaswamy, A.

    2015-11-01

    Flexible electronics is becoming more popular with introduction of more and more organic conducting materials and processes for making thin films. The use of polymers as gate dielectric has over ruled the usage of conventional inorganic oxides in Organic Thin Film Transistors (OTFTs) on account of its solution process ability and ease of making highly insulating thin film. In this work Capacitance is fabricated with polymeric dielectrics namely poly (methyl methacrylate) - PMMA and poly (vinyl alcohol) - PVA. The electrodes used for these capacitors are Indium Tin Oxide (ITO) and Aluminium. Capacitance value of 9.5nF/cm2 and 33.12nF/cm2 is achieved for thickness of 510 nm of PMMA and 80 nm of PVA respectively. This study on capacitance can be used for assessing the suitability of these polymers as gate insulators in OTFTs.

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

    PubMed

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

    2011-01-01

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

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

    PubMed Central

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

    2015-01-01

    This pilot and feasibility study examined the impact of a sensory adapted dental environment (SADE) to reduce distress, sensory discomfort, and perception of pain during oral prophylaxis for children with autism spectrum disorder (ASD). Participants were 44 children ages 6-12 (n=22 typical, n=22 ASD). In an experimental crossover design, each participant underwent two professional dental cleanings, one in a regular dental environment (RDE) and one in a SADE, administered in a randomized and counterbalanced order three to four months apart. Outcomes included measures of physiological anxiety, behavioral distress, pain intensity, and sensory discomfort. Both groups exhibited decreased physiological anxiety and reported lower pain and sensory discomfort in the SADE condition compared to RDE, indicating a beneficial effect of the SADE. PMID:25931290

  6. Crystal structure of piperazine-1,4-diium bis­(4-amino­benzene­sulfonate)

    PubMed Central

    Kumar, K. Sathesh; Ranjith, S.; Sudhakar, S.; Srinivasan, P.; Ponnuswamy, M. N.

    2015-01-01

    The asymmetric unit of the title salt, C4H12N2 2+·2C6H6NO3S−, consists of half a piperazindiium dication, located about an inversion centre, and a 4-amino­benzene­sulfonate anion. The piperazine ring adopts a chair conformation. In the crystal, the cations and anions are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional framework. Within the framework there are C—H⋯π inter­actions and the N—H⋯O hydrogen bonds result in the formation of R 4 4(22) and R 3 4(13) ring motifs. PMID:26870510

  7. Fusion energy calorimeter for the tokamak fusion test reactor

    SciTech Connect

    Jassby, D.L.; Imel, G.R.

    1981-04-01

    One and two-dimensional neutronic analyses treating the transport and scattering of neutrons and the production and transport of gamma rays in the TFTR demonstrate that the fusion energy production in a D-T pulse in the TFTR can be determined with an uncertainty of +- 15% or less, simply by integrating the measured profile of temperature increase along the central radial axis of a large hydrocarbon moderator that fills the bay between adjacent toroidal-field coils, just outside the vacuum vessel. Limitations in thermopile temperature measurements dictate a minimum fusion-neutron fluence at the vacuum vessel of the order of 10/sup 12/ n/cm/sup 2/ per pulse (a source strength of 10/sup 18/ n/pulse in TFTR), in order that this simple calorimeter can provide useful accuracy.

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

    PubMed Central

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

    2008-01-01

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

  9. 2-(2-Fur­yl)-1H-imidazo[4,5-f][1,10]phenanthroline-3,7-diium dichloride monohydrate

    PubMed Central

    Chen, Ming-Hua; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu

    2009-01-01

    The organic cation of the title salt, C17H12N4O2+·2Cl−·H2O, is nearly planar, the dihedral angle between two pyridine rings being 2.53 (16)° and that between the pyridinum and furan rings being 4.17 (19)°. Mol­ecules are linked via N—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds, forming a three-dimensional framework and π–π stacking inter­actions help to stabilize the crystal structure [the imidazole–pyridine and imidazole–benzene centroid–centroid distances are 3.501 (3) and 3.674 (3) Å; respectively]. PMID:21581942

  10. 3,3'-(1-Oxopropane-1,3-di-yl)bis-(1,3-thia-zolidine-2-thione) chloro-benzene hemisolvate.

    PubMed

    Franzel, Christine; Purdy, Andrew; Butcher, Ray J

    2013-03-01

    The title compound, C9H12N2OS4·0.5C6H5Cl, which contains two 1,3-thia-zolidine-2-thione rings, is a by-product of the synthesis of 3-acryloyl-1,3-thia-zolidine-2-thione. The dihedral angle between these rings is 79.95 (9)°, with both rings displaying a twisted conformation. The twist angle of the amide group is 5.6 (1)°. In the crystal, the molecules are linked into [001] chains by C-H⋯O interactions. The chloro-benzene solvent mol-ecule was found to show unresolvable disorder about a centre of inversion and its contribution to the scattering was removed with the SQUEEZE option in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. PMID:23476562

  11. (E)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1H-indole and (E)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1H-indole.

    PubMed

    Sonar, Vijayakumar N; Parkin, Sean; Crooks, Peter A

    2005-08-01

    In the title compounds, C12H12N2O2, (I), and C17H14N2O2, (II), respectively, the indole rings are planar and the vinyl groups lie out of the indole planes, making dihedral angles of 33.48 (5) and 41.31 (8) degrees , respectively. In (II), the dihedral angle between the phenyl and indole ring planes is 32.06 (6) degrees . In both molecules, the double bond connecting the methylnitrovinyl group and the indole nucleus adopts an E configuration. Notwithstanding the differences in space group [C2/c for (I) and P2(1)2(1)2(1) for (II)], the mode of packing of compounds (I) and (II) is determined by similar intermolecular N-H...O hydrogen-bonding interactions, forming chains that run parallel to [101] in (I) and [001] in (II).

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

    SciTech Connect

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

    1980-11-01

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

  13. Bis[μ-4-hydr­oxy-N′-(4-meth­oxy-2-oxido­benzyl­idene)benzohydrazidato]bis­[pyridine­copper(II)

    PubMed Central

    Mohd Lair, Nooraziah; Khaledi, Hamid; Mohd Ali, Hapipah; Puteh, Rustam

    2010-01-01

    In the title compound, [Cu2(C15H12N2O4)2(C6H5N)2], each CuII atom is chelated by the tridentate doubly deprotonated Schiff base and a pyridine mol­ecule in a nearly planar environment (r.m.s. deviation for all non-H atoms = 0.107 Å). The metal ions are bridged by one O atom from the symmetry-related Schiff base ligands, forming a centrosymmetric dinuclear copper(II) complex. The dimeric complex is linked to another dimer via weaker Cu—O inter­actions and also O—H⋯N hydrogen bonds. PMID:21580553

  14. Experiment of low resistance joints for the ITER correction coil.

    PubMed

    Liu, Huajun; Wu, Yu; Wu, Weiyue; Liu, Bo; Shi, Yi; Guo, Shuai

    2013-01-01

    A test method was designed and performed to measure joint resistance of the ITER correction coil (CC) in liquid helium (LHe) temperature. A 10 kA superconducting transformer was manufactured to provide the joints current. The transformer consisted of two concentric layer-wound superconducting solenoids. NbTi superconducting wire was wound in the primary coil and the ITER CC conductor was wound in the secondary coil. The primary and the secondary coils were both immersed in liquid helium of a 300 mm useful bore diameter cryostat. Two ITER CC joints were assembled in the secondary loop and tested. The current of the secondary loop was ramped to 9 kA in several steps. The two joint resistances were measured to be 1.2 nΩ and 1.65 nΩ, respectively.

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

    PubMed

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

    2015-10-01

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

  16. 4-Amino-N-(4,6-di-methyl-pyrimidin-2-yl)benzene-sulfonamide-1,4-di-aza-bicyclo-[2.2.2]octane (2/1).

    PubMed

    Arman, Hadi D; Kaulgud, Trupta; Tiekink, Edward R T

    2013-10-01

    The asymmetric unit of the title co-crystal, C12H14N4O2S·0.5C6H12N2, comprises the sulfonamide mol-ecule and half a mol-ecule of 1,4-di-aza-bicyclo-[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis. In the sulfonamide mol-ecule, the aromatic rings are almost perpendicular to one another [dihedral angle = 75.01 (8)°]. In the crystal, mol-ecules are connected into a three-mol-ecule aggregate via amide-DABCO N-H⋯N hydrogen bonds, and these are connected into a three-dimensional architecture via amino-DABCO N-H⋯O and amino-pyrimidine N-H⋯N hydrogen bonds.

  17. Dichotomy between Attractive and Repulsive Tomonaga-Luttinger Liquids in Spin Ladders.

    PubMed

    Jeong, M; Schmidiger, D; Mayaffre, H; Klanjšek, M; Berthier, C; Knafo, W; Ballon, G; Vignolle, B; Krämer, S; Zheludev, A; Horvatić, M

    2016-09-01

    We present a direct NMR method to determine whether the interactions in a Tomonaga-Luttinger liquid (TLL) state of a spin-1/2 Heisenberg antiferromagnetic ladder are attractive or repulsive. For the strong-leg spin ladder compound (C_{7}H_{10}N)_{2}CuBr_{4} we find that the isothermal magnetic field dependence of the NMR relaxation rate T_{1}^{-1}(H) displays a concave curve between the two critical fields bounding the TLL regime. This is in sharp contrast to the convex curve previously reported for a strong-rung ladder, (C_{5}H_{12}N)_{2}CuBr_{4}. We show that the concavity and the convexity of T_{1}^{-1}(H), which is a fingerprint of spin fluctuations, directly reflect the attractive and repulsive fermionic interactions in the TLL, respectively. The interaction sign is alternatively determined from an indirect method combining bulk magnetization and specific heat data.

  18. Capillary electrophoresis-electrochemistry microfluidic system for the determination of organic peroxides

    NASA Technical Reports Server (NTRS)

    Wang, Joseph; Escarpa, Alberto; Pumera, Martin; Feldman, Jason; Svehla, D. (Principal Investigator)

    2002-01-01

    A microfluidic analytical system for the separation and detection of organic peroxides, based on a microchip capillary electrophoresis device with an integrated amperometric detector, was developed. The new microsystem relies on the reductive detection of both organic acid peroxides and hydroperoxides at -700 mV (vs. Ag wire/AgCl). Factors influencing the separation and detection processes were examined and optimized. The integrated microsystem offers rapid measurements (within 130 s) of these organic-peroxide compounds, down to micromolar levels. A highly stable response for repetitive injections (RSD 0.35-3.12%; n = 12) reflects the negligible electrode passivation. Such a "lab-on-a-chip" device should be attractive for on-site analysis of organic peroxides, as desired for environmental screening and industrial monitoring.

  19. Structure investigations on oxygen fluorides.

    PubMed

    Marx, Rupert; Seppelt, Konrad

    2015-12-01

    The crystal structure of O2F2 is obtained at -180 °C. In the solid state the molecule has the typical hydrogen peroxide structure that has been established long ago by electron diffraction and microwave spectroscopy. OF2 melts at -223.8 °C, so its structure is determined by powder X-ray data. The structure differs from the solid state structures of ozone and Br2O. O2F in its dissolved form as O2(+) HnFn+1(-) oxidizes palladium to the four valence state, as found some time ago. The first product formed at low temperatures is (O2(+)H3Pd2F12(-))n. PMID:26351980

  20. Leisure activity patterns and their associations with overweight: a prospective study among adolescents.

    PubMed

    Lajunen, Hanna-Reetta; Keski-Rahkonen, Anna; Pulkkinen, Lea; Rose, Richard J; Rissanen, Aila; Kaprio, Jaakko

    2009-10-01

    We examined longitudinal associations between individual leisure activities (television viewing, video viewing, computer games, listening to music, board games, musical instrument playing, reading, arts, crafts, socializing, clubs or scouts, sports, outdoor activities) and being overweight using logistic regression and latent class analysis in a cohort of Finnish twins responding to self-report questionnaires at 11-12 (N=5184), 14, and 17 years. We also studied activity patterns ("Active and sociable", "Active but less sociable", "Passive but sociable", "Passive and solitary") thought to represent different lifestyles. Among boys, activity patterns did not predict becoming overweight, but sports and playing an instrument reduced the risk and arts and listening to music increased it. Among girls, few individual leisure activities predicted becoming overweight. However, girls in the "Passive and solitary" cluster carried the greatest risk of becoming overweight in late adolescence. Studying leisure activities related to overweight may help focus specific interventions on high risk groups. PMID:19345989

  1. Callous-unemotional traits are associated with deficits in recognizing complex emotions in preadolescent children.

    PubMed

    Sharp, Carla; Vanwoerden, Salome; Van Baardewijk, Y; Tackett, J L; Stegge, H

    2015-06-01

    The aims of the current study were to show that the affective component of psychopathy (callous-unemotional traits) is related to deficits in recognizing emotions over and above other psychopathy dimensions and to show that this relationship is driven by a specific deficit in recognizing complex emotions more so than basic emotions. The authors administered the Child Eyes Test to assess emotion recognition in a community sample of preadolescent children between the ages of 10 and 12 (N = 417; 53.6% boys). The task required children to identify a broad array of emotions from photographic stimuli depicting the eye region of the face. Stimuli were then divided into complex or basic emotions. Results demonstrated a unique association between callous-unemotional traits and complex emotions, with weaker associations with basic emotion recognition, over and above other dimensions of psychopathy.

  2. KRAS Mutations in Canine and Feline Pancreatic Acinar Cell Carcinoma.

    PubMed

    Crozier, C; Wood, G A; Foster, R A; Stasi, S; Liu, J H W; Bartlett, J M S; Coomber, B L; Sabine, V S

    2016-07-01

    Companion animals may serve as valuable models for studying human cancers. Although KRAS is the most commonly mutated gene in human ductal pancreatic cancers (57%), with mutations frequently occurring at codons 12, 13 and 61, human pancreatic acinar cell carcinomas (ACCs) lack activating KRAS mutations. In the present study, 32 pancreatic ACC samples obtained from 14 dogs and 18 cats, including seven metastases, were analyzed for six common activating KRAS mutations located in codons 12 (n = 5) and 13 (n = 1) using Sequenom MassARRAY. No KRAS mutations were found, suggesting that, similar to human pancreatic ACC, KRAS mutations do not play a critical role in feline or canine pancreatic ACC. Due to the similarity of the clinical disease in dogs and cats to that of man, this study confirms that companion animals offer potential as a suitable model for investigating this rare subtype of pancreatic carcinoma.

  3. Temporal reward discounting in children, adolescents, and emerging adults during an experiential task

    PubMed Central

    Scheres, Anouk; Tontsch, Chandra; Thoeny, Allison L.; Sumiya, Motofumi

    2014-01-01

    The goal of this study was to examine age effects on the ability/willingness to wait for large rewards in a real temporal reward discounting task from childhood to adulthood. Therefore, a real temporal discounting (TD) task was administered to children aged 6–12 (n = 39), adolescents aged 13–17 (n = 28), and young adults aged 18–19 (n = 55). Findings indicated that the cross-sectional development of TD followed a quadratic pattern across age groups, with adolescents choosing more often than children and adults to wait for the large delayed reward, resulting in reward-maximization. Various interpretations of this finding were offered, including a focus on reward maximization despite an immature ability to exert self-control, and flexible self-control which was high during this task as a result of strong motivation to maximize financial gains. PMID:25071675

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

    SciTech Connect

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

    2015-12-15

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

  5. Dichotomy between Attractive and Repulsive Tomonaga-Luttinger Liquids in Spin Ladders

    NASA Astrophysics Data System (ADS)

    Jeong, M.; Schmidiger, D.; Mayaffre, H.; Klanjšek, M.; Berthier, C.; Knafo, W.; Ballon, G.; Vignolle, B.; Krämer, S.; Zheludev, A.; Horvatić, M.

    2016-09-01

    We present a direct NMR method to determine whether the interactions in a Tomonaga-Luttinger liquid (TLL) state of a spin-1 /2 Heisenberg antiferromagnetic ladder are attractive or repulsive. For the strong-leg spin ladder compound (C7H10N )2CuBr4 we find that the isothermal magnetic field dependence of the NMR relaxation rate T1-1(H ) displays a concave curve between the two critical fields bounding the TLL regime. This is in sharp contrast to the convex curve previously reported for a strong-rung ladder, (C5H12N )2CuBr4 . We show that the concavity and the convexity of T1-1(H ), which is a fingerprint of spin fluctuations, directly reflect the attractive and repulsive fermionic interactions in the TLL, respectively. The interaction sign is alternatively determined from an indirect method combining bulk magnetization and specific heat data.

  6. Crustal structure of the Churchill-Superior boundary zone between 80 and 98 deg W longitude from Magsat anomaly maps and stacked passes

    NASA Technical Reports Server (NTRS)

    Hall, D. H.; Millar, T. W.; Noble, I. A.

    1985-01-01

    A modeling technique using spherical shell elements and equivalent dipole sources has been applied to Magsat signatures at the Churchill-Superior boundary in Manitoba, Ontario, and Ungava. A large satellite magnetic anomaly (12 nT amplitude) on POGO and Magsat maps near the Churchill-Superior boundary was found to be related to the Richmond Gulf aulacogen. The averaged crustal magnetization in the source region is 5.2 A/m. Stacking of the magnetic traces from Magsat passes reveals a magnetic signature (10 nT amplitude) at the Churchill-Superior boundary in an area studied between 80 deg W and 98 deg W. Modeling suggests a steplike thickening of the crust on the Churchill side of the boundary in a layer with a magnetization of 5 A/m. Signatures on aeromagnetic maps are also found in the source areas for both of these satellite anomalies.

  7. Dietary counseling and probiotic supplementation during pregnancy modify placental phospholipid fatty acids.

    PubMed

    Kaplas, Niina; Isolauri, Erika; Lampi, Anna-Maija; Ojala, Tiina; Laitinen, Kirsi

    2007-09-01

    It has previously been shown that maternal nutrition affects the fetal environment, with consequences for the infant's health. From early pregnancy onwards participants here received a combination of dietary counseling and probiotics (Lactobacillus GG and Bifidobacterium lactis Bb12; n = 10), dietary counseling with placebo (n = 12), or placebo alone (n = 8). The major differences in placental fatty acids were attributable to a higher concentration of n-3 polyunsaturated fatty acids in both intervention arms than in controls. Further, dietary counseling with probiotics resulted in higher concentrations of linoleic (18:2n-6) and dihomo-gamma-linolenic acids (20:3n-6) compared with dietary counseling with placebo or controls. PMID:17647038

  8. Design and development of magnetorheological fluid-based passive actuator.

    PubMed

    Shokrollahi, Elnaz; Price, Karl; Drake, James M; Goldenberg, Andrew A

    2015-08-01

    We present the design and experimental validation of a magnetorheological (MR) fluid-based passive actuator for tele-robotic bone biopsy procedures. With Finite Element Method Magnet (FEMM) software, the required uniform magnetic field circuit design was simulated. An 1100 turn 24 AWG copper wire coil wrapped around a magnetic core was used to create a magnetic field. The field strength was measured with a Hall effect sensor, and compared to the simulation. The maximum magnetic field flux produced by a constant current of 1.4 A was 0.2 T, similar to the simulation results. A series of quasi-static experiments were conducted to characterize the forces generated by the MR fluid-based actuator under various currents up to 12 N. An analytical model was developed to validate the measurements from the passive actuator. PMID:26737387

  9. Isolation and characterization of an amino acid-selective channel protein present in the chloroplastic outer envelope membrane

    PubMed Central

    Pohlmeyer, Kai; Soll, Jürgen; Steinkamp, Thomas; Hinnah, Silke; Wagner, Richard

    1997-01-01

    The reconstituted pea chloroplastic outer envelope protein of 16 kDa (OEP16) forms a slightly cation-selective, high-conductance channel with a conductance of Λ = 1,2 nS (in 1 M KCl). The open probability of OEP16 channel is highest at 0 mV (Popen = 0.8), decreasing exponentially with higher potentials. Transport studies using reconstituted recombinant OEP16 protein show that the OEP16 channel is selective for amino acids but excludes triosephosphates or uncharged sugars. Crosslinking indicates that OEP16 forms a homodimer in the membrane. According to its primary sequence and predicted secondary structure, OEP16 shows neither sequence nor structural homologies to classical porins. The results indicate that the intermembrane space between the two envelope membranes might not be as freely accessible as previously thought. PMID:9256512

  10. N-(4-Methyl-phenyl-sulfon-yl)-3-nitro-benzamide.

    PubMed

    Sreenivasa, S; Nanjundaswamy, M S; Sudha, A G; Pampa, K J; Lokanath, N K; Suchetan, P A

    2014-02-01

    In the title compound, C14H12N2O5S, the dihedral angle between the aromatic rings is 86.29 (1)° and the conformation between the C=O bond of the amide group and the meta-NO2 group is syn. The C-S-N-C torsion angle is -65.87 (19)° and the mol-ecule has an L-shaped conformation. In the crystal, the mol-ecules are connected into inversion dimers through pairs of N-H⋯O hydrogen bonds and C-H⋯O inter-actions forming R 2 (2)(8) and R 2 (2)(14) loops, respectively. The dimers are connected by further C-H⋯O inter-actions, thereby forming (100) sheets.

  11. The role of minerals in the thermal alteration of organic matter. IV - Generation of n-alkanes, acyclic isoprenoids, and alkenes in laboratory experiments

    NASA Technical Reports Server (NTRS)

    Huizinga, Bradley J.; Tannenbaum, Eli; Kaplan, Isaac R.

    1987-01-01

    The effect of common sedimentary minerals (illite, Na-montmorillonite, or calcite) under different water concentrations on the generation and release of n-alkanes, acyclic isoprenoids, and select alkenes from oil-prone kerogens was investigated. Matrices containing Green River Formation kerogen or Monterey Formation kerogen, alone or in the presence of minerals, were heated at 200 or 300 C for periods of up to 1000 hours, and the pyrolysis products were analyzed. The influence of the first two clay minerals was found to be critically dependent on the water content. Under the dry pyrolysis conditions, both minerals significantly reduced alkene formation; the C12+ n-alkanes and acyclic isoprenoids were mostly destroyed by montmorillonite, but underwent only minor alteration with illite. Under hydrous conditions (mineral/water of 2/1), the effects of both minerals were substantially reduced. Calcite had no significant effect on the thermal evolution of the hydrocarbons.

  12. CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: A Novel Method for the Initial-Condition Estimation of a Tent Map

    NASA Astrophysics Data System (ADS)

    Chen, Xi; Gao, Yong; Yang, Yuan

    2009-07-01

    Based on the connection between the tent map and the saw tooth map or Bernoulli map, a novel method for the initial-condition estimation of the tent map is presented. In the method, firstly the symbolic sequence generated from the tent map is converted to the forms obtained from the saw tooth map and Bernoulli map, and then the relationship between the symbolic sequence and the initial condition of the tent map can be obtained from the initial-condition estimation equations, which can be easily obtained, hence the estimation of the tent map can be achieved finally. The method is computationally simple and the error of the estimator is less than 1/2N. The method is verified by software simulation.

  13. One Decade Later: Trends and Disparities in the Application of Post-Mastectomy Radiotherapy Since the Release of the American Society of Clinical Oncology Clinical Practice Guidelines

    SciTech Connect

    Dragun, Anthony E.; Huang, Bin; Gupta, Saurabh; Crew, John B.; Tucker, Thomas C.

    2012-08-01

    Purpose: In 2001 ASCO published practice guidelines for post mastectomy radiotherapy (PMRT). We analyzed factors that influence the receipt of radiotherapy therapy and trends over time. Methods and Materials: We analyzed 8889 women who underwent mastectomy as primary surgical treatment for stage II or III breast cancer between 1995 and 2008 using data from the Kentucky Cancer Registry. We categorized patients according to ASCO group: group 1, PMRT not routinely recommended (T2, N0); group 2, PMRT controversial/evidence insufficient (T1-2, N1); group 3, PMRT recommended or suggested (T3-4 or N2-3). Probability of receiving PMRT was assessed using logistic regression. Results: Overall, 24.0% of women received PMRT over the study period. The rates of PMRT for group 1, 2, and 3 were 7.5%, 19.5%, and 47.3%, respectively. Since 2001, there was an increase in the use of PMRT (from 21.1%-26.5%, P<.0001), which occurred mainly among group 3 members (from 40.8%-51.2%, P<.0001). The average rate remained constant in group 1 (from 7.1%-7.4%, P=.266) and decreased in group 2 (from 20.0%-18.1%, P<.0001). On multivariate analysis, the rate of PMRT was significantly lower for women aged >70 years (vs. younger), rural Appalachia (vs. non-Appalachia) populations, and Medicaid (vs. privately insured) patients. Conclusions: ASCO guidelines have influenced practice in an underserved state; however PMRT remains underused, even for highest-risk patients. Barriers exist for elderly, rural and poor patients, which independently predict for lack of adequate care. Updated guidelines are needed to clarify the use of PMRT for patients with T1-2, N1 disease.

  14. Ambler Class A Extended-Spectrum Beta-Lactamase-Producing Escherichia coli and Klebsiella spp. in Canadian Hospitals

    PubMed Central

    Mulvey, Michael R.; Bryce, Elizabeth; Boyd, David; Ofner-Agostini, Marianna; Christianson, Sara; Simor, Andrew E.; Paton, Shirley

    2004-01-01

    This report describes a study carried out to gain baseline information on the molecular characteristics of extended-spectrum beta-lactamase (ESBL)-producing Escherichia coli and Klebsiella spp. in Canada. A total of 29,323 E. coli and 5,156 Klebsiella sp. isolates were screened at 12 participating sites. Of these, 505 clinically significant, nonrepeat isolates displaying reduced susceptibility to the NCCLS-recommended beta-lactams were submitted to a central laboratory over a 1-year period ending on 30 September 2000. A total of 116 isolates were confirmed to be ESBL producers. PCR and sequence analysis revealed the presence of TEM-11 (n = 1), TEM-12 (n = 1), TEM-29 (n = 1), TEM-52 (n = 4), CTX-M-13 (n = 1), CTX-M-14 (n = 15), CTX-M-15 (n = 11), SHV-2 (n = 2), SHV-2a (n = 12), SHV-5 (n = 6), SHV-12 (n = 45), and SHV-30 (n = 2). Five novel beta-lactamases were identified and designated TEM-115 (n = 2), TEM-120 (n = 1), SHV-40 (n = 2), SHV-41 (n = 4), and SHV-42 (n = 1). In addition, no molecular mechanism was identified for five isolates displaying an ESBL phenotype. Macrorestriction analysis of all ESBL isolates was conducted, as was restriction fragment length polymorphism analysis of plasmids harboring ESBLs. Although a “clonal” distribution of isolates was observed at some individual sites, there was very little evidence suggesting intrahospital spread. In addition, examples of identical or closely related plasmids that were identified at geographically distinct sites across Canada are given. However, there was considerable diversity with respect to plasmid types observed. PMID:15047521

  15. Microbial community in the potential gas hydrate area Kaoping Canyon bearing sediment at offshore SW Taiwan

    NASA Astrophysics Data System (ADS)

    Wu, S. Y.; Hung, C. C.; Lai, S. J.; Ding, J. Y.; Lai, M. C.

    2015-12-01

    The deep sub-seafloor biosphere is among the least-understood habitats on Earth, even though the huge microbial biomass plays a potentially important role in long-term controls of global biogeochemical cycles. The research team from Taiwan, supported by the Central Geological Survey (CGS), has been demonstrated at SW offshore Taiwan that indicated this area is potential gas hydrate region. Therefore, the Gas Hydrate Master Program (GHMP) was brought in the National Energy Program-Phase II (NEP-II) to continue research and development. In this study, the microbial community structure of potential gas hydrate bearing sediments of giant piston core MD-178-10-3291 (KP12N) from the Kaoping Canyon offshore SW of Taiwan were investigated. This core was found many empty spaces and filling huge methane gas (>99.9 %) that might dissociate from solid gas hydrate. 16S rRNA gene clone libraries and phylogenetic analysis showed that the dominant members of Archaea were ANME (13 %), SAGMEG (31 %) and DSAG (20 %), and those of Bacteria were Chloroflexi (13 %), Candidate division JS1 (40 %) and Planctomycetes (15 %). Among them, ANME-3 is only distributed at the sulfate-methane interface (SMI) of 750 cmbsf, and sharing similarity with the Hydrate Ridge clone HydBeg92. ANME-1 and SAGMEG distributed below 750 cmbsf. In addition, DSAG and Candidate division JS1 are most dominant and distributed vertically at all tested depths from 150-3600 cmbsf. Combine the geochemical data and microbial phylotype distribution suggests the potential of gas hydrate bearing sediments at core MD-178-10-3291 (KP12N) from the Kaoping Canyon offshore SW of Taiwan.

  16. Nitrous oxide emissions from a maize field during two consecutive growing seasons in the north China plain.

    PubMed

    Zhang, Yuanyuan; Liu, Junfeng; Mu, Yujing; Xu, Zhu; Pei, Shuwei; Lun, Xiaoxiu; Zhang, Ying

    2012-01-01

    Nitrous oxide (N2O) emissions from a maize field in the North China Plain (Wangdu County, Hebei Province, China) were investigated using static chambers during two consecutive maize growing seasons in the 2008 and 2009. The N2O pulse emissions occurred with duration of about 10 days after basal and additional fertilizer applications in the both years. The average N20 fluxes from the CK (control plot, without crop, fertilization and irrigation), NP (chemical N fertilizer), SN (wheat straw returning plus chemical N fertilizer), OM-1/2N (chicken manure plus half chemical N fertilizer) and OMN (chicken manure plus chemical N fertilizer) plots in 2008 were 8.51, 72.1, 76.6, 101, 107 ng N/(m2 x sec), respectively, and in 2009 were 33.7, 30.0 and 35.0 ng N/(m2 x sec) from CK, NP and SN plots, respectively. The emission factors of the applied fertilizer as N20-N (EFs) were 3.8% (2008) and 1.1% (2009) for the NP plot, 3.2% (2008) and 1.2% (2009) for the SN plot, and 2.8% and 2.2% in 2008 for the OM-1/2N and OMN plots, respectively. Hydromorphic properties of the investigated soil (with gley) are in favor of denitrification. The large differences of the soil temperature and water-filled pore space (WFPS) between the two maize seasons were suspected to be responsible for the significant yearly variations. Compared with the treatments of NP and SN, chicken manure coupled with compound fertilizer application significantly reduced fertilizer loss rate as N2O-N. PMID:22783628

  17. Excitation of high frequency pressure driven modes by non-axisymmetric equilibrium at high {beta}{sub pol} in PBX-M

    SciTech Connect

    Sesnic, S.; Kaita, R.; Kaye, S.; Okabayashi, M.; Takahashi, H.; Bell, R.E.; Bernabei, S.; Chance, M.S.; Hatcher, R.E.; Jardin, S.C.; Kessel, C.E.; Kugel, H.W.; LeBlanc, B.; Manickam, J.; Ono, M.; Paul, S.F.; Sauthoff, N.R.; Holland, A.; Asakura, N.; Duperrex, P.A.; Fonck, R.J.; Gammel, G.M.; Greene, G.J.; Jiang, T.W.; Levinton, F.M.; Powell, E.T.; Roberts, D.W.; Qin, Y.

    1993-06-01

    High-frequency pressure-driven modes have been observed in high-poloidal-{beta} discharges in the Princeton Beta Experiment-Modification (PBX-M). These modes are excited in a non-axisymmetric equilibrium characterized by a large, low frequency m{sub 1}=1/n{sub 1}=1 island, and they are capable of expelling fast ions. The modes reside on or very close to the q=1 surface, and have mode numbers with either m{sub h}=n{sub h} or (less probably) m{sub h}/n{sub h}=m{sub h}/(m{sub h}-1), with m{sub h} varying between 3 and 10. Occasionally, these modes are, simultaneously localized in the vicinity of the m{sub 1}=2/n{sub 1}=1 island. The high frequency modes near the q=1 surface also exhibit a ballooning character, being significantly stronger on the large major radius side of the plasma. When a large m{sub 1}=1/n{sub 1}=1 island is present the mode is poloidally localized in the immediate vicinity of the x-point of the island. The modes, which occur exclusively in high-{beta} discharges, appear to be driven by the plasma pressure or pressure gradient. They can thus be a manifestation of either a toroidicity-induced shear Alfven eigenmode (TAE) at q=(2m{sub h}+ 1)/2n{sub h}, a kinetic ballooning mode (KBM), or some other type of pressure-driven mode. Theory predicts that the TAE mode is a gap mode, but the high frequency modes in PBX-M are found exclusively on or in the immediate neighborhood of magnetic surfaces with low rational numbers.

  18. Structural characterization of two benzene-1,2-di-amine complexes of zinc chloride: a mol-ecular compound and a co-crystal salt.

    PubMed

    Zick, Patricia L; Geiger, David K

    2016-07-01

    The structures of two zinc complexes containing bidentate benzene-1,2-di-amine ligands are reported. (Benzene-1,2-di-amine-κ(2) N,N')di-chloro-idozinc, [ZnCl2(C6H8N2)], (I), displays a distorted tetra-hedral coordination sphere for the metal cation. The di-amine ligand and the Zn atom reside on a crystallographic mirror plane. In the 1:1 co-crystal salt trans-di-aqua-bis-(4,5-di-methyl-benzene-1,2-di-amine-κ(2) N,N')zinc chloride-4,5-di-methyl-benzene-1,2-di-amine (1/1), [Zn(C8H12N2)2(H2O)2]Cl2·2C8H12N2, (II), the zinc(II) complex cation exhibits a tetra-gonally distorted octa-hedral coordination sphere. The Zn atom sits on a crystallographically imposed inversion center and the di-amine ligands are tilted 30.63 (6)° with respect to the ZnN4 plane. Both complexes exhibit extensive hydrogen bonding. In (I), a stacked-sheet extended structure parallel to (101) is observed. In (II), the co-crystallized di-amine is hydrogen-bonded to the complex cation via O-H⋯N and N-H⋯N linkages. These units are in turn linked into planes along (200) by O-H⋯Cl and N-H⋯Cl hydrogen bonds. PMID:27555958

  19. Oral health of visually impaired schoolchildren in Khartoum State, Sudan

    PubMed Central

    2013-01-01

    Background Although oral health care is a vital component of overall health, it remains one of the greatest unattended needs among the disabled. The aim of this study was to assess the oral health status and oral health-related quality of life (Child-OIDP in 11-13-year-old) of the visually challenged school attendants in Khartoum State, the Sudan. Methods A school-based survey was conducted in Al-Nour institute [boys (66.3%), boarders (35.9%), and children with partial visual impairment (PVI) (44.6%)]. Two calibrated dentists examined the participants (n=79) using DMFT/dmft, Simplified Oral Hygiene Index (OHI-S), dental care index, and traumatic dental injuries (TDI) index. Oral health related quality of life (C-OIDP) was administered to 82 schoolchildren. Results Caries experience was 46.8%. Mean DMFT (age≥12, n=33) was 0.4 ± 0.7 (SiC 1.6), mean dmft (age<12, n=46) was 1.9 ±2.8 (SiC 3.4), mean OHIS 1.3 ± 0.9. Care Index was zero. One fifth of the children suffered TDI (19%). Almost one third (29%) of the 11–13 year old children reported an oral impact on their daily performances. A quarter of the schoolchildren (25.3%) required an urgent treatment need. Analysis showed that children with partial visual impairment (PVI) were 6.3 times (adjusted) more likely to be diagnosed with caries compared to children with complete visual impairment (CVI), and children with caries experience were 1.3 times (unadjusted) more likely to report an oral health related impact on quality of life. Conclusions Visually impaired schoolchildren are burdened with oral health problems, especially caries. Furthermore, the 11-13 year olds' burden with caries showed a significant impact on their quality of life. PMID:23866155

  20. On pseudo-Riemannian manifolds with many Killing spinors

    SciTech Connect

    Alekseevsky, D. V.; Cortes, V.

    2009-02-02

    Let M be a pseudo-Riemannian spin manifold of dimension n and signature s and denote by N the rank of the real spinor bundle. We prove that M is locally homogeneous if it admits more than (3/4)N independent Killing spinors with the same Killing number, unless n {identical_to} 1(mod 4) and s {identical_to} 3(mod 4). We also prove that M is locally homogeneous if it admits k{sub +} independent Killing spinors with Killing number {lambda} and k{sub -} independent Killing spinors with Killing number -{lambda} such that k{sub +}+k{sub -}>(3/2)N, unless n {identical_to} s {identical_to} 3(mod 4). Similarly, a pseudo-Riemannian manifold with more than (3/4)N independent conformal Killing spinors is conformally locally homogeneous. For (positive or negative) definite metrics, the bounds (3/4)N and (3/2)N in the above results can be relaxed to (1/2)N and N, respectively. Furthermore, we prove that a pseudo-Riemannnian spin manifold with more than (3/4)N parallel spinors is flat and that (1/4)N parallel spinors suffice if the metric is definite. Similarly, a Riemannnian spin manifold with more than (3/8)N Killing spinors with the Killing number {lambda}(set-membership sign)R has constant curvature 4{lambda}{sup 2}. For Lorentzian or negative definite metrics the same is true with the bound (1/2)N. Finally, we give a classification of (not necessarily complete) Riemannian manifolds admitting Killing spinors, which provides an inductive construction of such manifolds.

  1. Seasonal Patterns of Soil Respiration and Related Soil Biochemical Properties under Nitrogen Addition in Winter Wheat Field.

    PubMed

    Liang, Guopeng; Houssou, Albert A; Wu, Huijun; Cai, Dianxiong; Wu, Xueping; Gao, Lili; Li, Jing; Wang, Bisheng; Li, Shengping

    2015-01-01

    Understanding the changes of soil respiration under increasing N fertilizer in cropland ecosystems is crucial to accurately predicting global warming. This study explored seasonal variations of soil respiration and its controlling biochemical properties under a gradient of Nitrogen addition during two consecutive winter wheat growing seasons (2013-2015). N was applied at four different levels: 0, 120, 180 and 240 kg N ha(-1) year(-1) (denoted as N0, N12, N18 and N24, respectively). Soil respiration exhibited significant seasonal variation and was significantly affected by soil temperature with Q10 ranging from 2.04 to 2.46 and from 1.49 to 1.53 during 2013-2014 and 2014-2015 winter wheat growing season, respectively. Soil moisture had no significant effect on soil respiration during 2013-2014 winter wheat growing season but showed a significant and negative correlation with soil respiration during 2014-2015 winter wheat growing season. Soil respiration under N24 treatment was significantly higher than N0 treatment. Averaged over the two growing seasons, N12, N18 and N24 significantly increased soil respiration by 13.4, 16.4 and 25.4% compared with N0, respectively. N addition also significantly increased easily extractable glomalin-related soil protein (EEG), soil organic carbon (SOC), total N, ammonium N and nitrate N contents. In addition, soil respiration was significantly and positively correlated with β-glucosidase activity, EEG, SOC, total N, ammonium N and nitrate N contents. The results indicated that high N fertilization improved soil chemical properties, but significantly increased soil respiration. PMID:26629695

  2. Class Switching in B Cells Lacking 3′ Immunoglobulin Heavy Chain Enhancers

    PubMed Central

    Manis, John P.; van der Stoep, Nienke; Tian, Ming; Ferrini, Roger; Davidson, Laurie; Bottaro, Andrea; Alt, Frederick W.

    1998-01-01

    The 40-kb region downstream of the most 3′ immunoglobulin (Ig) heavy chain constant region gene (Cα) contains a series of transcriptional enhancers speculated to play a role in Ig heavy chain class switch recombination (CSR). To elucidate the function of this putative CSR regulatory region, we generated mice with germline mutations in which one or the other of the two most 5′ enhancers in this cluster (respectively referred to as HS3a and HS1,2) were replaced either with a pgk-neor cassette (referred to as HS3aN and HS1,2N mutations) or with a loxP sequence (referred to as HS3aΔ and HS1,2Δ, respectively). B cells homozygous for the HS3aN or HS1,2N mutations had severe defects in CSR to several isotypes. The phenotypic similarity of the two insertion mutations, both of which were cis-acting, suggested that inhibition might result from pgk-neor cassette gene insertion rather than enhancer deletion. Accordingly, CSR returned to normal in B cells homozygous for the HS3aΔ or HS1,2Δ mutations. In addition, induced expression of the specifically targeted pgk-neor genes was regulated similarly to that of germline CH genes. Our findings implicate a 3′ CSR regulatory locus that appears remarkably similar in organization and function to the β-globin gene 5′ LCR and which we propose may regulate differential CSR via a promoter competition mechanism. PMID:9782119

  3. Physics design for the Brookhaven Medical Research Reactor epithermal neutron source.

    PubMed

    Wheeler, F J; Parsons, D K; Nigg, D W; Wessol, D E; Miller, L G; Fairchild, R G

    1990-01-01

    A collaborative effort by researchers at the Idaho National Engineering Laboratory and the Brookhaven National Laboratory has resulted in the design and implementation of an epithermal-neutron source at the Brookhaven Medical Research Reactor (BMRR). Large aluminum containers, filled with aluminum oxide tiles and aluminum spacers, were tailored to pre-existing compartments on the animal side of the reactor facility. A layer of cadmium was used to minimize the thermal-neutron component. Additional bismuth was added to the pre-existing bismuth shield to minimize the gamma component of the beam. Lead was also added to reduce gamma streaming around the bismuth. The physics design methods are outlined in this paper. Information available to date shows close agreement between calculated and measured beam parameters. The neutron spectrum is predominantly in the intermediate energy range (0.5 eV - 10 keV). The peak flux intensity is 6.4E + 12 n/(m2.s.MW) at the center of the beam on the outer surface of the final gamma shield. The corresponding neutron current is 3.8E + 12 n/(m2.s.MW). Presently, the core operates at a maximum of 3 MW. The fast-neutron KERMA is 3.6E-15 cGy/(n/m2) and the gamma KERMA is 5.0E-16 cGY/(n/m2) for the unperturbed beam. The neutron intensity falls off rapidly with distance from the outer shield and the thermal flux realized in phantom or tissue is strongly dependent on the beam-delimiter and target geometry.

  4. Molecular mechanics approach for design and conformational studies of macrocyclic ligands

    SciTech Connect

    Rohini,; Akbar, Rifat; Kanungo, B. K.

    2015-08-28

    Computational Chemistry has revolutionized way of viewing molecules at the quantum mechanical scale by allowing simulating various chemical scenarios that are not possible to study in a laboratory. The remarkable applications of computational chemistry have promoted to design and test of the effectiveness of various methods for searching the conformational space of highly flexible molecules. In this context, we conducted a series of optimization and conformational searches on macrocyclic based ligands, 9N3Me5Ox, (1,4,7-tris(5-methyl-8-hydroxyquinoline)-1,4,7-triazacyclononane) and 12N3Me5Ox, (1,5,9-tris(5-methyl-8-hydroxyquinoline)-1,5,9-triazacyclododecane) and studied their selectivity and coordination behavior with some lanthanide metal ions in molecular mechanics and semiempirical methods. The methods include both systematic and random conformational searches for dihedral angles, torsion angles and Cartesian coordinates. Structural studies were carried out by using geometry optimization, coordination scans and electronic properties were evaluated. The results clearly show that chair-boat conformational isomer of 9N3Me5Ox ligand is more stable due to lower eclipsing ethane interaction and form stronger adduct complexes with lanthanide metal ion. This is because of the fact that, in a central unit of 9N3 of the ligand form six endo type bonds out of nine. The rest of bonds have trans conformation. In contrast, for the adduct of 12N3Me5Ox, two C-C bonds have on eclipsed conformation, and others have synclinal and antiperiplanar confirmations. The distortion of the two eclipsed conformations may affect the yields and the stability of the complexes.

  5. Structural characterization of two benzene-1,2-di­amine complexes of zinc chloride: a mol­ecular compound and a co-crystal salt

    PubMed Central

    Zick, Patricia L.; Geiger, David K.

    2016-01-01

    The structures of two zinc complexes containing bidentate benzene-1,2-di­amine ligands are reported. (Benzene-1,2-di­amine-κ2 N,N′)di­chloro­idozinc, [ZnCl2(C6H8N2)], (I), displays a distorted tetra­hedral coordination sphere for the metal cation. The di­amine ligand and the Zn atom reside on a crystallographic mirror plane. In the 1:1 co-crystal salt trans-di­aqua­bis­(4,5-di­methyl­benzene-1,2-di­amine-κ2 N,N′)zinc chloride–4,5-di­methyl­benzene-1,2-di­amine (1/1), [Zn(C8H12N2)2(H2O)2]Cl2·2C8H12N2, (II), the zinc(II) complex cation exhibits a tetra­gonally distorted octa­hedral coordination sphere. The Zn atom sits on a crystallographically imposed inversion center and the di­amine ligands are tilted 30.63 (6)° with respect to the ZnN4 plane. Both complexes exhibit extensive hydrogen bonding. In (I), a stacked-sheet extended structure parallel to (101) is observed. In (II), the co-crystallized di­amine is hydrogen-bonded to the complex cation via O—H⋯N and N—H⋯N linkages. These units are in turn linked into planes along (200) by O—H⋯Cl and N—H⋯Cl hydrogen bonds. PMID:27555958

  6. A new organically-templated cobalt borophosphate with a novel borophosphatic anionic partial structure

    SciTech Connect

    Liu Wei; Guo Xiangqin; Su Ge; Cao Lixin; Wang Yonggang; Duan Jingrui

    2011-09-15

    A novel cobalt borophosphate, (NH{sub 4}){sub 2}(C{sub 4}H{sub 12}N{sub 2})[Co{sub 2}B{sub 4}P{sub 6}O{sub 24}(OH){sub 2}].H{sub 2}O with the mixed cations has been synthesized under mild hydrothermal conditions. Its crystal structure was determined by the single-crystal X-ray diffraction (tetragonal, I4{sub 1}/a (no. 88), a=14.207(3) A, c=24.956(6) A, V=5037.09(2) A{sup 3}, Z=8). The crystal structure consists of a new type of three-dimensional borophosphatic anionic partial framework, which is built from the condensation of the fundamental building unit (FBU) [B{sub 2}P{sub 3}O{sub 14}(OH)]. The CoO{sub 6} octahedra are enchased in such borophosphate network to form a complex open framework with a three-dimensional intersecting channel system, the voids of which are occupied by ammonium, dipronated piperazine ions and water molecules, respectively. The magnetic measurement of the title compound has also been investigated. - Graphical abstract: A new organically-templated cobalt borophosphate, (NH{sub 4}){sub 2}(C{sub 4}H{sub 12}N{sub 2})[Co{sub 2}B{sub 4}P{sub 6}O{sub 24}(OH){sub 2}].H{sub 2}O with a novel borophosphate 3D anionic partial framework has been synthesized under mild hydrothermal conditions. Highlights: > The first cobalt borophosphate with the 3D anionic partial borophosphate network. > A porous framework with an intersecting three-dimensional channel system. > The borophosphate compound with the mixed cations.

  7. 1,1'-Methylenedipyridinium tetrachloridocuprate(II) and bis[tetrachloridoaurate(III)] hybrid salts by X-ray powder diffraction.

    PubMed

    Al-Ktaifani, Mahmoud; Rukiah, Mwaffak

    2012-09-01

    In order to explore the potential propensity of the 1,1'-methylenedipyridinium dication to form organic-inorganic hybrid ionic compounds by reaction with the appropriate halide metal salt, the organic-inorganic hybrid salts 1,1'-methylenedipyridinium tetrachloridocuprate(II), (C(11)H(12)N(2))[CuCl(4)], (I), and 1,1'-methylenedipyridinium bis[tetrachloridoaurate(III)], (C(11)H(12)N(2))[AuCl(4)](2), (II), were obtained by treatment of 1,1'-methylenedipyridinium dichloride with CuCl(2) and Na[AuCl(4)], respectively. Both hybrid salts were isolated as pure compounds, fully characterized by multinuclear NMR spectroscopy and their molecular structures confirmed by powder X-ray diffraction studies. The crystal structures consist of discrete 1,1'-methylenedipyridinium dications and [CuCl(4)](2-) and [AuCl(4)](-) anions for (I) and (II), respectively. As expected, the dications form a butterfly shape; the Cu(II) centre of [CuCl(4)](2-) has a distorted tetrahedral configuration and the Au(III) centre of [AuCl(4)](-) shows a square-planar coordination. The ionic species of (I) and the dication of (II) each have twofold axial symmetry, while the two [AuCl(4)](-) anions are located on a mirror-plane site. Both crystal structures are stabilized by intermolecular C-H···Cl hydrogen bonds and also by Cl···π interactions. It is noteworthy that, while the average intermolecular centroid-centroid pyridinium ring distance in (I) is 3.643 (8) Å, giving strong evidence for noncovalent π-π ring interactions, for (II), the shortest centroid-centroid distance between pyridinium rings of 5.502 (9) Å is too long for any significant π-π ring interactions, which might be due to the bulk of the two [AuCl(4)](-) anions. PMID:22935491

  8. Seasonal Patterns of Soil Respiration and Related Soil Biochemical Properties under Nitrogen Addition in Winter Wheat Field.

    PubMed

    Liang, Guopeng; Houssou, Albert A; Wu, Huijun; Cai, Dianxiong; Wu, Xueping; Gao, Lili; Li, Jing; Wang, Bisheng; Li, Shengping

    2015-01-01

    Understanding the changes of soil respiration under increasing N fertilizer in cropland ecosystems is crucial to accurately predicting global warming. This study explored seasonal variations of soil respiration and its controlling biochemical properties under a gradient of Nitrogen addition during two consecutive winter wheat growing seasons (2013-2015). N was applied at four different levels: 0, 120, 180 and 240 kg N ha(-1) year(-1) (denoted as N0, N12, N18 and N24, respectively). Soil respiration exhibited significant seasonal variation and was significantly affected by soil temperature with Q10 ranging from 2.04 to 2.46 and from 1.49 to 1.53 during 2013-2014 and 2014-2015 winter wheat growing season, respectively. Soil moisture had no significant effect on soil respiration during 2013-2014 winter wheat growing season but showed a significant and negative correlation with soil respiration during 2014-2015 winter wheat growing season. Soil respiration under N24 treatment was significantly higher than N0 treatment. Averaged over the two growing seasons, N12, N18 and N24 significantly increased soil respiration by 13.4, 16.4 and 25.4% compared with N0, respectively. N addition also significantly increased easily extractable glomalin-related soil protein (EEG), soil organic carbon (SOC), total N, ammonium N and nitrate N contents. In addition, soil respiration was significantly and positively correlated with β-glucosidase activity, EEG, SOC, total N, ammonium N and nitrate N contents. The results indicated that high N fertilization improved soil chemical properties, but significantly increased soil respiration.

  9. Seasonal Patterns of Soil Respiration and Related Soil Biochemical Properties under Nitrogen Addition in Winter Wheat Field

    PubMed Central

    Liang, Guopeng; Houssou, Albert A.; Wu, Huijun; Cai, Dianxiong; Wu, Xueping; Gao, Lili; Li, Jing; Wang, Bisheng; Li, Shengping

    2015-01-01

    Understanding the changes of soil respiration under increasing N fertilizer in cropland ecosystems is crucial to accurately predicting global warming. This study explored seasonal variations of soil respiration and its controlling biochemical properties under a gradient of Nitrogen addition during two consecutive winter wheat growing seasons (2013–2015). N was applied at four different levels: 0, 120, 180 and 240 kg N ha-1 year-1 (denoted as N0, N12, N18 and N24, respectively). Soil respiration exhibited significant seasonal variation and was significantly affected by soil temperature with Q10 ranging from 2.04 to 2.46 and from 1.49 to 1.53 during 2013–2014 and 2014–2015 winter wheat growing season, respectively. Soil moisture had no significant effect on soil respiration during 2013–2014 winter wheat growing season but showed a significant and negative correlation with soil respiration during 2014–2015 winter wheat growing season. Soil respiration under N24 treatment was significantly higher than N0 treatment. Averaged over the two growing seasons, N12, N18 and N24 significantly increased soil respiration by 13.4, 16.4 and 25.4% compared with N0, respectively. N addition also significantly increased easily extractable glomalin-related soil protein (EEG), soil organic carbon (SOC), total N, ammonium N and nitrate N contents. In addition, soil respiration was significantly and positively correlated with β-glucosidase activity, EEG, SOC, total N, ammonium N and nitrate N contents. The results indicated that high N fertilization improved soil chemical properties, but significantly increased soil respiration. PMID:26629695

  10. Determinants at the N- and C-termini of Gα12 required for activation of Rho-mediated signaling

    PubMed Central

    2013-01-01

    Background Heterotrimeric guanine nucleotide binding proteins of the G12/13 subfamily, which includes the α-subunits Gα12 and Gα13, stimulate the monomeric G protein RhoA through interaction with a distinct subset of Rho-specific guanine nucleotide exchange factors (RhoGEFs). The structural features that mediate interaction between Gα13 and RhoGEFs have been examined in crystallographic studies of the purified complex, whereas a Gα12:RhoGEF complex has not been reported. Several signaling responses and effector interactions appear unique to Gα12 or Gα13, despite their similarity in amino acid sequence. Methods To comprehensively examine Gα12 for regions involved in RhoGEF interaction, we screened a panel of Gα12 cassette substitution mutants for binding to leukemia-associated RhoGEF (LARG) and for activation of serum response element mediated transcription. Results We identified several cassette substitutions that disrupt Gα12 binding to LARG and the related p115RhoGEF. These Gα12 mutants also were impaired in activating serum response element mediated signaling, a Rho-dependent response. Most of these mutants matched corresponding regions of Gα13 reported to contact p115RhoGEF, but unexpectedly, several RhoGEF-uncoupling mutations were found within the N- and C-terminal regions of Gα12. Trypsin protection assays revealed several mutants in these regions as retaining conformational activation. In addition, charge substitutions near the Gα12 N-terminus selectively disrupted binding to LARG but not p115RhoGEF. Conclusions Several structural aspects of the Gα12:RhoGEF interface differ from the reported Gα13:RhoGEF complex, particularly determinants within the C-terminal α5 helix and structurally uncharacterized N-terminus of Gα12. Furthermore, key residues at the Gα12 N-terminus may confer selectivity for LARG as a downstream effector. PMID:23531275

  11. The High Cost of HIV-Positive Inpatient Care at an Urban Hospital in Johannesburg, South Africa

    PubMed Central

    Long, Lawrence C.; Fox, Matthew P.; Sauls, Celeste; Evans, Denise; Sanne, Ian; Rosen, Sydney B.

    2016-01-01

    Background While most HIV care is provided on an outpatient basis, hospitals continue to treat serious HIV-related admissions, which is relatively resource-intensive and expensive. This study reports the primary reasons for HIV-related admission at a regional, urban hospital in Johannesburg, South Africa and estimates the associated lengths of stay and costs. Methods and Findings A retrospective cohort study of adult, medical admissions was conducted. Each admission was assigned a reason for admission and an outcome. The length of stay was calculated for all patients (N = 1,041) and for HIV-positive patients (n = 469), actual utilization and associated costs were also estimated. Just under half were known to be HIV-positive admissions. Deaths and transfers were proportionately higher amongst HIV-positive admissions compared to HIV-negative and unknown. The three most common reasons for admission were tuberculosis and other mycobacterial infections (18%, n = 187), cardiovascular disorders (12%, n = 127) and bacterial infections (12%, n = 121). The study sample utilized a total of 7,733 bed days of those, 55% (4,259/7,733) were for HIV-positive patients. The average cost per admission amongst confirmed HIV-positive patients, which was an average of 9.3 days in length, was $1,783 (United States Dollars). Conclusions Even in the era of large-scale antiretroviral treatment, inpatient facilities in South Africa shoulder a significant HIV burden. The majority of this burden is related to patients not on ART (298/469, 64%), and accounts for more than half of all inpatient resources. Reducing the costs of inpatient care is thus another important benefit of expanding access to ART, promoting earlier ART initiation, and achieving rates of ART retention and adherence. PMID:26885977

  12. Effect of initial linkage disequilibrium and epistasis on fixation probability in a small population, with two segregating loci.

    PubMed

    Ohta, T

    1968-06-01

    The probability of ultimate fixation was studied for 2 loci small populations by the method of Monte Carlo simulation and also partly by analytical treatment. The analytical solutions for fixation probability known at present and the difficulty of their application to more complex situations were discussed. Monte Carlo experiments were carried out for large values ofN e s 1,N e s 2 andN e ε, for which the analytical solutions have not been obtained.One of the main purposes was to investigate the effect of initial linkage disequilibrium (D) on fixation probability. Whens 1,s 2 and ε are 0, the effect of disequilibrium is given by {1-2N e c/(2N e c+1)}D withKIMURA'S model and {1-2N e c/(2 N e c-c+1)}D with the model ofKARLIN andMCGREGOR. When |N e s 1| and |N e s 2| were small and ε=0, the effect of disequilibrium was shown to be almost the same as in the selectively neutral case (formulas 8). When those parameters are not small, the effect of disequilibrium is larger because of the rapid approach to fixation.Another purpose of this study was to investigate the effect of epistasis on fixation probability.KIMURA obtained the solution for joint fixation ofA andB when the selective advantage is given to genotypeAB as the joint effect ofA andB. The present study has verified his formula and showed that linkage does not affectu(AB) under initial linkage equilibrium. Also some cases of additive × additive epistasis were studied. PMID:24442309

  13. Long-term outcomes after breast conservation therapy for early stage breast cancer in a community setting.

    PubMed

    McCloskey, Susan A; Botnick, Leslie E; Rose, Christopher M; Malcolm, Arnold W; Ozohan, Mary Lou; Mena, Raul; Llamas, Lupe; Tao, May Lin

    2006-01-01

    We, as a large community practice, retrospectively reviewed our experience in treating early stage breast cancer to determine rates of breast-conserving therapy (BCT), disease outcomes after such treatment, and risk factors for local recurrence. A hospital tumor registry was used to identify breast cancer cases diagnosed between 1987 and 2003. Rates of BCT and radiotherapy were examined using primary treatment data. For subsequent disease outcomes analyses, cases were limited to only those treated between 1987 and 1994 to allow for adequate follow-up. For the subset of 521 T1-2N0 patients treated with BCT, we calculated crude rates of first failure at 8 years, with outcomes classified as local failure (LF), distant or regional node failure (DNF), dead without failure (DWF), or alive without failure (AWF). Polychotomous logistic regression was done to assess the influence of age at diagnosis, tumor grade, total radiation dose to the tumor bed, and use of systemic therapy. From 1987 to 2003, rates of BCT went from 69% to 89% and the rate of radiation after breast-conserving surgery was 90%. For the subset of 521 T1-2N0 patients treated with BCT who had at least 8 years of follow-up, median age was 58 years, 15% had grade 1 tumors, 83% had T1 tumors, 4.6% had positive margins, 83% got a total radiation dose >or=60 Gy to the tumor bed, and 51% had systemic therapy. At 8 years, 7% of patients had LF, 8% DNF, 10% were DWF, and 75% were AWF. Patient age (p = 0.076), tumor grade (p = 0.056), use of systemic therapy (p = 0.077), and radiation dose (p = 0.127) had borderline significant effects on the risk of LF versus AWF. The majority of patients in this community were treated with BCT and most received radiotherapy. Local control was excellent and comparable to that seen in large academic centers.

  14. Cionin, a protochordean hybrid of cholecystokinin and gastrin: biological activity in mammalian systems.

    PubMed

    Schjoldager, B; Park, J; Johnsen, A H; Yamada, T; Rehfeld, J F

    1991-06-01

    The protochordean octapeptide cionin is structurally a hybrid of mammalian cholecystokinin (CCK) and gastrin, and thus their possible common ancestor. To determine whether cionin behaves like CCK or gastrin, we examined its effect on canine fundic somatostatin cells and on porcine and bovine gallbladder muscles. Cionin released somatostatin with a potency (ED50 0.15 nM) and efficacy (14.8% of cell content) similar to that of CCK-8 (ED50 0.12 nM, efficacy 16.7%). The efficacies but not the potencies of CCK-8 and cionin differed from those of sulfated gastrin (0.12 nM, 9.7%), nonsulfated gastrin (0.20 nM, 9.4%), and nonsulfated CCK-8 (0.30 nM, 10.4%). CCK and gastrin stimulated contractions of porcine gallbladder muscle strips in a concentration-dependent manner with no differences in efficacy but with characteristic differences in potency. CCK-8 and cionin displayed similar potencies of ED50 2.0 and 2.6 nM; both were significantly different from the ED50 of 0.4 microM for sulfated gastrin and 2.3 microM for nonsulfated gastrin. CCK radioligand binding to membrane-enriched preparations of porcine and bovine gallbladder muscularis was specific and of high affinity. The equilibrium data revealed that binding of CCK and gastrin peptides best fit a single site. CCK-8 and cionin displayed similar affinities [Kd 0.5 nM (porcine), 0.5 nM (bovine, CCK) vs. Kd 0.8 and 0.9 nM (cionin), respectively]. These differed again significantly from Kd 0.6 and 1.5 microM (sulfated gastrin) and 0.7 and 0.2 microM (nonsulfated gastrin). The results show that cionin behaves like CCK rather than gastrin in mammals.

  15. Alteration of tropomyosin-binding properties of tropomodulin-1 affects its capping ability and localization in skeletal myocytes.

    PubMed

    Moroz, Natalia A; Novak, Stefanie M; Azevedo, Ricardo; Colpan, Mert; Uversky, Vladimir N; Gregorio, Carol C; Kostyukova, Alla S

    2013-02-15

    Tropomodulin (Tmod) is an actin-capping protein that binds to the two tropomyosins (TM) at the pointed end of the actin filament to prevent further actin polymerization and depolymerization. Therefore, understanding the role of Tmod is very important when studying actin filament dependent processes such as muscle contraction and intracellular transport. The capping ability of Tmod is highly influenced by TM and is 1000-fold greater in the presence of TM. There are four Tmod isoforms (Tmod1-4), three of which, Tmod1, Tmod3, and Tmod4, are expressed in skeletal muscles. The affinity of Tmod1 to skeletal striated TM (stTM) is higher than that of Tmod3 and Tmod4 to stTM. In this study, we tested mutations in the TM-binding sites of Tmod1, using circular dichroism (CD) and prediction analysis (PONDR). The mutations R11K, D12N, and Q144K were chosen because they decreased the affinity of Tmod1 to stTM, making it similar to that of affinity of Tmod3 and Tmod4 to stTM. Significant reduction of inhibition of actin pointed-end polymerization in the presence of stTM was shown for Tmod1 (R11K/D12N/Q144K) as compared with WT Tmod1. When GFP-Tmod1 and mutants were expressed in primary chicken skeletal myocytes, decreased assembly of Tmod1 mutants was revealed. This indicates a direct correlation between TM-binding and the actin-capping abilities of Tmod. Our data confirmed the hypothesis that assembly of Tmod at the pointed-end of the actin filament depends on its TM-binding affinity.

  16. Quantification of chromatographic effects of vitamin B supplementation in urine and implications for hydration assessment.

    PubMed

    Kenefick, Robert W; Heavens, K R; Dennis, W E; Caruso, E M; Guerriere, K I; Charkoudian, N; Cheuvront, S N

    2015-07-15

    Changes in body water elicit reflex adjustments at the kidney, thus maintaining fluid volume homeostasis. These renal adjustments change the concentration and color of urine, variables that can, in turn, be used as biomarkers of hydration status. It has been suggested that vitamin supplementation alters urine color; it is unclear whether any such alteration would confound hydration assessment via colorimetric evaluation. We tested the hypothesis that overnight vitamin B2 and/or B12 supplementation alters urine color as a marker of hydration status. Thirty healthy volunteers were monitored during a 3-day euhydrated baseline, confirmed via first morning nude body mass, urine specific gravity, and urine osmolality. Volunteers then randomly received B2 (n = 10), B12 (n = 10), or B2 + B12 (n = 10) at ∼200 × recommended dietary allowance. Euhydration was verified on trial days (two of the following: body mass ± 1.0% of the mean of visits 1-3, urine specific gravity < 1.02, urine osmolality < 700 mmol/kg). Vitamin purity and urinary B2 concentration ([B2]) and [B12] were quantified via ultraperformance liquid chromatography. Two independent observers assessed urine color using an eight-point standardized color chart. Following supplementation, urinary [B2] was elevated; however, urine color was not different between nonsupplemented and supplemented trials. For example, in the B2 trial, urinary [B2] increased from 8.6 × 10(4) ± 7.7 × 10(4) to 5.7 × 10(6) ± 5.3 × 10(6) nmol/l (P < 0.05), and urine color went from 4 ± 1 to 5 ± 1 (P > 0.05). Both conditions met the euhydrated color classification. We conclude that a large overnight dose of vitamins B2 and B12 does not confound assessment of euhydrated status via urine color. PMID:25977447

  17. Nanoconfinement of pyrene in mesostructured silica nanoparticles for trace detection of TNT in the aqueous phase

    NASA Astrophysics Data System (ADS)

    Beyazkilic, Pinar; Yildirim, Adem; Bayindir, Mehmet

    2014-11-01

    This article describes the preparation of pyrene confined mesostructured silica nanoparticles for the trace detection of trinitrotoluene (TNT) in the aqueous phase. Pyrene confined mesostructured silica nanoparticles were prepared using a facile one-pot method where pyrene molecules were first encapsulated in the hydrophobic parts of cetyltrimethylammonium micelles and then silica polymerized around these micelles. The resulting hybrid particles have sizes of around 75 nm with fairly good size distribution. Also, they are highly dispersible and colloidally stable in water. More importantly, they exhibit bright and highly stable pyrene excimer emission. We demonstrated that excimer emission of the particles exhibits a rapid, sensitive and visual quenching response against TNT. The detection limit for TNT was determined to be 12 nM. Furthermore, excimer emission of pyrene shows significantly high selectivity for TNT.This article describes the preparation of pyrene confined mesostructured silica nanoparticles for the trace detection of trinitrotoluene (TNT) in the aqueous phase. Pyrene confined mesostructured silica nanoparticles were prepared using a facile one-pot method where pyrene molecules were first encapsulated in the hydrophobic parts of cetyltrimethylammonium micelles and then silica polymerized around these micelles. The resulting hybrid particles have sizes of around 75 nm with fairly good size distribution. Also, they are highly dispersible and colloidally stable in water. More importantly, they exhibit bright and highly stable pyrene excimer emission. We demonstrated that excimer emission of the particles exhibits a rapid, sensitive and visual quenching response against TNT. The detection limit for TNT was determined to be 12 nM. Furthermore, excimer emission of pyrene shows significantly high selectivity for TNT. Electronic supplementary information (ESI) available: Additional figures. See DOI: 10.1039/c4nr05514d

  18. Class switching in B cells lacking 3' immunoglobulin heavy chain enhancers.

    PubMed

    Manis, J P; van der Stoep, N; Tian, M; Ferrini, R; Davidson, L; Bottaro, A; Alt, F W

    1998-10-19

    The 40-kb region downstream of the most 3' immunoglobulin (Ig) heavy chain constant region gene (Calpha) contains a series of transcriptional enhancers speculated to play a role in Ig heavy chain class switch recombination (CSR). To elucidate the function of this putative CSR regulatory region, we generated mice with germline mutations in which one or the other of the two most 5' enhancers in this cluster (respectively referred to as HS3a and HS1,2) were replaced either with a pgk-neor cassette (referred to as HS3aN and HS1,2N mutations) or with a loxP sequence (referred to as HS3aDelta and HS1,2Delta, respectively). B cells homozygous for the HS3aN or HS1,2N mutations had severe defects in CSR to several isotypes. The phenotypic similarity of the two insertion mutations, both of which were cis-acting, suggested that inhibition might result from pgk-neor cassette gene insertion rather than enhancer deletion. Accordingly, CSR returned to normal in B cells homozygous for the HS3aDelta or HS1,2Delta mutations. In addition, induced expression of the specifically targeted pgk-neor genes was regulated similarly to that of germline CH genes. Our findings implicate a 3' CSR regulatory locus that appears remarkably similar in organization and function to the beta-globin gene 5' LCR and which we propose may regulate differential CSR via a promoter competition mechanism.

  19. Solvent free synthesis, crystal studies, docking studies and antibacterial properties of some novel fluorinated pyridazinone derivatives

    NASA Astrophysics Data System (ADS)

    Sowmya, H. B. V.; Suresha Kumara, T. H.; Nagendrappa, G.; Jasinski, Jerry P.; Millikan, Sean P.; Jose, Gilish; R, Dileep; Sujan Ganapathy, P. S.

    2013-12-01

    The solvent free synthesis of six 6-(3,5-difluorophenyl)-4,5-dihydropyridazin-3(2H)-one derivatives was carried out by microwave irradiation of a pulverized mixture of 4-(3,5-difluorophenyl)-4-oxobutanoic acid and substituted hydrazine hydrochloride in presence of catalytic amount of acetic acid at 150 °C/75 W for 5 min. Single crystals of two derivatives, C16H12N2OF2 [3a] and C16H11N2OF3 [3f] were formed allowing for structural analysis. [C16H12N2OF2]: orthorhombic, Pbcn; a = 17.1583(5) Å, b = 11.3751(3) Å, c = 13.7704(4) Å, V = 2687.67(13) Å3, Z = 8, 173(2) K, μ(Cu Kα) = 0.920 mm-1, Dcalc = 1.415 g/mm3, 16553 reflections, 2651 unique (Rint = 0.0298); R1 = 0.0394 (I > 2σ(I)) and wR2 = 0.1118 (all data). [C16H11N2OF3]: triclinic, P-1, a = 7.4837(4) Å, b = 13.3707(10) Å, c = 13.7194(9) Å, α = 76.622(6)°, β = 88.771(5)°, γ = 81.453(5)°, V = 1320.60(16) Å3, Z = 4, 173(2) K, μ(Cu Kα) = 1.087 mm-1, Dcalc = 1.530 g/mm3, 8522 reflections, 5092 unique (Rint = 0.0277); R1 = 0.0441 (I > 2σ(I)) and wR2 = 0.1289 (all data). Preliminary antibacterial properties and docking studies are described for all the six derivatives.

  20. Density, topography, and regional, tensile stresses: Gravity-driven extension of the northern Basin and range

    SciTech Connect

    Unruh, J.R. )

    1993-04-01

    It has long been recognized that regional topographic gradients may give rise to tectonic (non-lithostatic) stresses in the lithosphere (Artyushkov, 1973). The elevation of a buoyantly-uplifted region represents a balance between these stresses and the strength of the lithosphere. This study uses existing data on crustal and lithospheric structure in the western United States to test the hypothesis that the topographically high (1.5--2.2 km) northern Basin and Range is spreading under it own weight. Following England and Jackson (1989), the total deviatoric tensile force (Fl) in the northern Basin and Range (NBR) due to the regional high topography is the difference between the vertically-integrated lithostatic stress in the NBR and in western California. Using available velocity models for the crust and upper mantle, and empirically-derived velocity-density relationships, calculated values of Fl range between 1--3 [times] 10[sup 12] N/m. Assuming a visco-elastic rheology for the lithosphere, an average heat flow of 90 m W/m[sup 2], and a crustal thickness of 35 km, values of Fl ranging from 1--3 [times] 10[sup 12] N/m may result in horizontal extension rates of approximately 10[sup [minus]15]/s to 10[sup [minus]15]/s to 10[sup [minus]16]/s. This is comparable to the rate of seismically-released strain in the NBR, and to extension rates of 8--9 mm/yr across the region determined from geologic and geodetic data. These results imply that shear tractions on the base of the lithosphere from mantle convection are not necessary to explain NBR extension. In addition to driving active extension, the weight of the topographically high NBR may exert a compressive force on surrounding lowlands. If so, this may account for some of the active shortening in western California, and the state of horizontal compressive stress in the western Great Plains.

  1. The laws governing ionic liquid extraction of cations: partition of 1-ethylpyridinium monocation and paraquat dication in ionic liquid/water biphasic systems.

    PubMed

    Hamamoto, Takuya; Okai, Miho; Katsuta, Shoichi

    2015-05-21

    To find the laws governing the extraction of cations from aqueous solutions into hydrophobic ionic liquids (ILs), we investigated the partition of 1-ethylpyridinium monocation and paraquat (1,1'-dimethyl-4,4'-bipyridinium) dication in various IL/water biphasic systems. Ten different ILs of 1-butyl-3-methylimidazolium-based or bis(trifluoromethanesulfonyl)amide-based salts were used. The distribution ratio of the target cations (T(n+)) was dependent on the initial concentration in the aqueous phase and also very sensitive to the kind of IL. The behavior was quantitatively explained on the basis of a model in which the extraction goes through both the ion exchange and ion pair transfer processes, while keeping the product of the aqueous concentrations of the IL constituent ions a constant value (solubility product, Ksp). The distribution ratio of T(n+) is expressed as a function of the difference between the initial and equilibrium concentrations of T(n+) in the aqueous phase (Δ[T(n+)]W), the aqueous solubility of IL (Ksp(1/2)), and the cation valence n. The distribution ratio is a nearly constant value (D0) when Δ[T(n+)]W ≪ Ksp(1/2)/n and decreases inversely proportional to the nth power of Δ[T(n+)]W when Δ[T(n+)]W ≫ Ksp(1/2)/n. The log D0 versus log Ksp(1/2) plot gives a linear relationship with a slope of +n for the ILs with the same anion but different cations and that with a slope of nearly -n for the ILs with the same cation but different anions. This means that the extractability dependence on the kinds of IL constituent ions is greater for the divalent cation than for the monovalent one.

  2. Exchange coupling transformations in Cu (II) heterospin complexes of “breathing crystals” under structural phase transitions

    SciTech Connect

    Morozov, Vitaly A.; Petrova, Marina V.; Lukzen, Nikita N.

    2015-08-15

    Family of “breathing crystals” is the polymer-chain complexes of Cu(hfac){sub 2} with nitroxides. The polymer chains consist of one-, two- or three-spin clusters. The “breathing crystals” experience simultaneous magnetic and Jahn-Teller type structural phase transitions with change of total cluster spin and drastic change of bond lengths (ca. 10-12%). For the first time the intra-cluster magnetic couplings in ”breathing crystals” have been calculated both by band structure methods GGA + U and hybrid DFT (B3LYP and PBE0) for the isolated exchange clusters. The temperature dependence of the magnetic coupling constant was calculated for two polymer-chain compounds of the “breathing crystal” family - C{sub 21}H{sub 19}CuF{sub 12}N{sub 4}O{sub 6} with the chains containing two-spin clusters and C{sub 22}H{sub 21}CuF{sub 12}N{sub 4}O{sub 6} with the chains of alternating three-spin clusters and one-spin sites. It was found that adding a Hubbard-like parameter not only to the copper 3d electrons but also to the oxygen 2p electrons (GGA + U{sub d} + U{sub p} approach) results in an improved description of exchange coupling in the “breathing crystal” compounds. At the same time treatment of the isolated clusters by a large basis hybrid DFT with high computational cost provides a similar quality fit of the experimental magneto-chemical data as that for the GGA + U{sub d} + U{sub p} band structure calculation scheme. Our calculations also showed that in spite of the abrupt transformation of the magnetic coupling constant under the phase transition, the band gap in the “breathing crystals” remains about the same value with temperature decrease.

  3. Preparation and preclinical evaluation of humanised A33 immunoconjugates for radioimmunotherapy.

    PubMed Central

    King, D. J.; Antoniw, P.; Owens, R. J.; Adair, J. R.; Haines, A. M.; Farnsworth, A. P.; Finney, H.; Lawson, A. D.; Lyons, A.; Baker, T. S.

    1995-01-01

    A humanised IgG1/k version of A33 (hA33) has been constructed and expressed with yields up to 700 mg l-1 in mouse myeloma NS0 cells in suspension culture. The equilibrium dissociation constant of hA33 (KD = 1.3 nM) was shown to be equivalent to that of the murine antibody in a cell-binding assay. hA33 labelled with yttrium-90 using the macrocyclic chelator 12N4 (DOTA) was shown to localise very effectively to human colon tumour xenografts in nude mice, with tumour levels increasing as blood concentration fell up to 144 h. A Fab' variant of hA33 with a single hinge thiol group to facilitate chemical cross-linking has also been constructed and expressed with yields of 500 mg l-1. Trimaleimide cross-linkers have been used to produce a trivalent Fab fragment (hA33 TFM) that binds antigen on tumour cells with greater avidity than hA33 IgG. Cross-linkers incorporating 12N4 or 9N3 macrocycles have been used to produce hA33 TFM labelled stably and site specifically with yttrium-90 or indium-111 respectively. These molecules have been used to demonstrate that hA33 TFM is cleared more rapidly than hA33 IgG from the circulation of animals but does not lead to accumulation of these metallic radionuclides in the kidney. 90Y-labelled hA33 TFM therefore appears to be the optimal form of the antibody for radioimmunotherapy of colorectal carcinoma. Images Figure 3 PMID:8519646

  4. Miocene climate as recorded on slope carbonates : examples from Malta (Central Mediterranean) and Northeastern Australia (Marion Plateau, ODP LEG 194)

    NASA Astrophysics Data System (ADS)

    John, Cédric Michaël

    2003-08-01

    analysis of carbonate content and organic matter geochemical analysis furthermore suggest that the clay-rich intervals are similar to sapropelic deposits. On the Marion Plateau, trends in oxygen and carbon isotopes were obtained by measuring Cibicidoides spp foraminifers. Moreover, carbonate content was reconstructed using a chemical method (coulometer). Results show that the mid Miocene cooling step profoundly affected this system: a major drop in accumulation rates of carbonates occurs precisely at 13.8 Ma, around the time of the East Antarctic ice sheet formation. Moreover, sedimentation changes occurred at that time, carbonate fragments coming from neritic environments becoming less abundant, planktonic foraminifer content increasing and quartz and reworked glauconite being deposited. Conversely, a surprising result is that the major N12-N14 sea-level fall occurring around 11.5 Ma did not impact the accumulation of carbonates on the slope. This was unexpected since carbonate platform are very sensitive to sea-level changes. The model developed to explain that mass accumulation rates of carbonates diminished around 13.6 Ma (Mi3 Event) instead of 11.5 Ma (N12-N14 event), suggests that oceanic currents were controlling slope carbonate deposition on the Marion Plateau prior to the mid-Miocene, and that the mid Miocene event considerably increase their strength, hence reducing the amount of carbonate being deposited on slope sites. Moreover, by combining results from deep-sea oxygen isotopes with sea-level estimates based on coastal onlaps made during Leg 194, we constrain the amplitude of the N12-N14 sea-level fall to 90 meters. When integrating isotopic results from this study, this amplitude is lowered to 70 meters. A general conclusion of this work is that the mid Miocene climatic shift did impact carbonate systems, at least at the two locations studied. However, the nature of this response was highly dependant on the regional settings, in particular the presence of

  5. Characterization of extended-spectrum β-lactamase (ESBL)-producing Klebsiella, Enterobacter, and Citrobacter obtained in environmental samples of a Tunisian hospital.

    PubMed

    Dziri, Raoudha; Klibi, Naouel; Alonso, Carla Andrea; Said, Leila Ben; Bellaaj, Ridha; Slama, Karim Ben; Boudabous, Abdellatif; Torres, Carmen

    2016-10-01

    The assessment of the hospital environment as a reservoir of ESBL-producing Enterobacteriaceae in Tunisian hospitals is scarcely analyzed, except for Escherichia coli. The aim of this study was to evaluate the presence of ESBL-producing non-E. coli Enterobacteriaceae (ESBL-EbNoEc) in 300 samples of abiotic surfaces and the hands of patients and staff of a Tunisian Hospital, and to characterize the ESBL genes of the recovered isolates. ESBL-EbNoEc were recovered in 28 of 300 (9.3%) analyzed samples and were identified as Klebsiella pneumoniae (n= 11), Enterobacter cloacae (n=11), Citrobacter freundii (n=4) and Klebsiella oxytoca (n=2). The bla genes identified by PCR and sequencing among the strains were as follows: 11 K.pneumoniae strains [blaCTX-M-15+ blaTEM-1+ blaSHV-11 (n=6); blaCTX-M-15+ blaTEM-1+ blaSHV-28 (n=3); blaCTX-M-15+ blaTEM-1+ blaSHV-1 (n=2)], 11 E. cloacae strains [blaCTX-M-15 (n=6); blaCTX-M-15+ blaTEM-1b (n=2); blaCTX-M-15+ blaTEM-1b+ blaOXA-1 (n=1);blaCTX-M-15+ blaOXA-1 (n=1);blaSHV-12 (n=1)], 4 C. freundii strains [blaCTX-M-15] and 2 K. oxytoca strains [blaCTX-M-15 (n=1); blaSHV-12 (n=1)]. The ISEcp1 and orf477 sequences were identified upstream and downstream of the blaCTX-M-15 gene, respectively, in 3 K. pneumoniae and 3 E. cloacae isolates. The PFGE analysis demonstrated three unrelated pulsotypes in K. pneumoniae strains and five pulsotypes in E. cloacae. The uncontrolled dissemination of ESBL-producing bacteria, even in the hospital environment, has become a real problem and new strategies and hygienic rules are needed to stop this bacterial dissemination. PMID:27492133

  6. Dose Escalation of Total Marrow Irradiation With Concurrent Chemotherapy in Patients With Advanced Acute Leukemia Undergoing Allogeneic Hematopoietic Cell Transplantation

    SciTech Connect

    Wong, Jeffrey Y.C.; Forman, Stephen; Somlo, George; Liu An; Schultheiss, Timothy; Radany, Eric; Palmer, Joycelynne; Stein, Anthony

    2013-01-01

    Purpose: We have demonstrated that toxicities are acceptable with total marrow irradiation (TMI) at 16 Gy without chemotherapy or TMI at 12 Gy and the reduced intensity regimen of fludarabine/melphalan in patients undergoing hematopoietic cell transplantation (HCT). This article reports results of a study of TMI combined with higher intensity chemotherapy regimens in 2 phase I trials in patients with advanced acute myelogenous leukemia or acute lymphoblastic leukemia (AML/ALL) who would do poorly on standard intent-to-cure HCT regimens. Methods and Materials: Trial 1 consisted of TMI on Days -10 to -6, etoposide (VP16) on Day -5 (60 mg/kg), and cyclophosphamide (CY) on Day -3 (100 mg/kg). TMI dose was 12 (n=3 patients), 13.5 (n=3 patients), and 15 (n=6 patients) Gy at 1.5 Gy twice daily. Trial 2 consisted of busulfan (BU) on Days -12 to -8 (800 {mu}M min), TMI on Days -8 to -4, and VP16 on Day -3 (30 mg/kg). TMI dose was 12 (n=18) and 13.5 (n=2) Gy at 1.5 Gy twice daily. Results: Trial 1 had 12 patients with a median age of 33 years. Six patients had induction failures (IF), and 6 had first relapses (1RL), 9 with leukemia blast involvement of bone marrow ranging from 10%-98%, 5 with circulating blasts (24%-85%), and 2 with chloromas. No dose-limiting toxicities were observed. Eleven patients achieved complete remission at Day 30. With a median follow-up of 14.75 months, 5 patients remained in complete remission from 13.5-37.7 months. Trial 2 had 20 patients with a median age of 41 years. Thirteen patients had IF, and 5 had 1RL, 2 in second relapse, 19 with marrow blasts (3%-100%) and 13 with peripheral blasts (6%-63%). Grade 4 dose-limiting toxicities were seen at 13.5 Gy (stomatitis and hepatotoxicity). Stomatitis was the most frequent toxicity in both trials. Conclusions: TMI dose escalation to 15 Gy is possible when combined with CY/VP16 and is associated with acceptable toxicities and encouraging outcomes. TMI dose escalation is not possible with BU/VP16 due to

  7. Interactions of human P-glycoprotein transport substrates and inhibitors at the drug binding domain: Functional and molecular docking analyses.

    PubMed

    Kadioglu, Onat; Saeed, Mohamed E M; Valoti, Massimo; Frosini, Maria; Sgaragli, Giampietro; Efferth, Thomas

    2016-03-15

    Rhodamine 123 (R123) transport substrate sensitizes P-glycoprotein (P-gp) to inhibition by compound 2c (cis-cis) N,N-bis(cyclohexanolamine)aryl ester isomer in a concentration-dependent manner in human MDR1-gene transfected mouse T-lymphoma L5178 cells as shown previously. By contrast, epirubicin (EPI) concentration changes left unaltered 2c IC50 values of EPI efflux. To clarify this discrepancy, defined molecular docking (DMD) analyses of 12 N,N-bis(cyclohexanolamine)aryl esters, the highly flexible aryl ester analog 4, and several P-gp substrate/non-substrate inhibitors were performed on human P-gp drug- or nucleotide-binding domains (DBD or NBD). DMD measurements yielded lowest binding energy (LBE, kcal/mol) values (mean ± SD) ranging from -11.8 ± 0.54 (valspodar) to -3.98 ± 0.01 (4). Lys234, Ser952 and Tyr953 residues formed H-bonds with most of the compounds. Only 2c docked also at ATP binding site (LBE value of -6.9 ± 0.30 kcal/mol). Inhibition of P-gp-mediated R123 efflux by 12 N,N-bis(cyclohexanolamine)aryl esters and 4 significantly correlated with LBE values. DMD analysis of EPI, (3)H-1EPI, (3)H-2EPI, (14)C-1EPI, (14)C-2EPI, R123 and 2c before and after previous docking of each of them indicated that pre-docking of either 2c or EPI significantly reduced LBE of both EPI and R123, and that of both (3)H-2EPI and (14)C-2EPI, respectively. Since the clusters of DBD amino acid residues interacting with EPI were different, if EPI docked alone or after pre-docking of EPI or 2c, the existence of alternative secondary binding site for EPI on P-gp is credible. In conclusion, 2c may allocate the drug-binding pocket and reduce strong binding of EPI and R123 in agreement with P-gp inhibition experiments, where 2c reduced efflux of EPI and R123.

  8. Transcapillary exchange in the cat salivary gland during secretion, bradykinin infusion and after chronic duct ligation.

    PubMed Central

    Mann, G E; Smaje, L H; Yudilevich, D L

    1979-01-01

    1. Capillary permeability-surface area products for 86Rb, [51Cr]EDTA (mol. wt. 357), [57Co]cyanocobalamin (mol. wt. 1353) and [125I]insulin (approximate mol. wt. 6000) have been measured using the single-circulation, multiple-tracer dilution technique in the in situ perfused submandibular salivary gland during parasympathetic nerve stimulation, close-arterial bradykinin infusion and following chronic duct ligation. 2. In glands with a natural blood supply, permeability-surface area for 86Rb and [51Cr]EDTA increased during parasympathetic stimulation, but this was shown to be related to the concomitant increase in blood flow rather than to a change in capillary permeability or in surface area. 3. In glands perfused at constant flow, parasympathetic stimulation led to a decrease in permeability-surface area for EDTA (-19.1 +/- 5.2%, mean +/- S.E., n = 5, P less than 0.05) cyanocobalamin (-12.3 +/- 6.0, n = 12, P less than 0.05), and insulin (-15.3 +/- 4.8, n = 11, P less than 0.02). It is suggested that this may be the result of a redistribution of flow from the acinar microcirculation to a less permeable ductal vasculature. 4. Bradykinin infusion had no significant effect on permeability-surface area for EDTA and cyanocobalamin in perfused glands. 5. In perfused glands, ligation of the submandibular duct for 3--12 days reduced permeability-surface area (ml.min-1.g-1) for [51Cr]EDTA from 5.26 +/- 0.60 (mean +/- S.E., n = 9) to 4.20 +/- 0.12 (n = 4, P less than 0.30), [57Co]cyanocobalamin from 3.22 +/- 0.12 (n = 48) to 2.02 +/- 0.08 (n = 15, P less than 0.001) and [125I]insulin from 1.52 +/- 0.07 (n = 39) to 0.72 +/- 0.23 (n = 11, P less than 0.001). PMID:119844

  9. Ordering principle for cluster expansions in the theory of quantum fluids, dense gases, and simple classical liquids

    SciTech Connect

    Feenberg, E.; Lee, D.K.

    1982-03-01

    A study is made of a series-expansion procedure which gives the leading terms of the n-particle distribution function p/sup( n/)(1,2,...,n) as explicit functionals in the radial distribution function g(r). The development of the series is based on the cluster-expansion formalism applied to the Abe form for p/sup( n/) expressed as a product of the generalized Kirkwood superposition approximation P/sup( n/)/sub K/ and a correction factor exp(A/sup( n/)(1,2,...,n)). An ordering parameter ..mu.. is introduced to determine A/sup( n/) and p/sup( n/) in the form of infinite power series in ..mu.., and the postulate of minimal complexity is employed to eliminate an infinite number of possible classes of solutions in a sequential relation connecting A/sup( n/-1) and A/sup( n/). Derivation of the series for p/sup( n/) and many other algebraic manipulations involving a large number of cluster integrals are greatly simplified by the use of a scheme which groups together all cluster terms having, in a certain way, the same source term. In particular, the scheme is useful in demonstrating that the nature of the series structure of p/sup(/sup 3/) is such that its three-point Fourier transform S/sup(/sup 3/)(k/sub 1/,k/sub 2/,k/sub 3/) has as a factor the product of the three liquid-structure functions S(k/sub 1/)S(k/sub 2/)S(k/sub 3/). The results obtained to order ..mu../sup 4/ for A/sup(/sup 3/), p/sup(/sup 3/), and S/sup(/sup 3/) agree with those derived earlier in a more straightforward but tedious approach. The result for p/sup(/sup 4/) shows that the convolution approximation p/sup(/sup 4/)/sub c/, which contains ..mu../sup 3/ terms, must be supplemented by a correction of O(..mu../sup 3/) in order to be accurate through third order. The ..mu..-expansion approach is also examined for the cluster expansion of the correlation function in the Bijl-Dingle-Jastrow description of a many-boson system, and then compared with the number-density expansion formula by using the Gaussian model for g(r)-1 to evaluate cluster integrals.

  10. A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster

    NASA Astrophysics Data System (ADS)

    Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun

    2015-04-01

    The spontaneous formation of discrete spherical nanosized molecules is prevalent in nature, but the authentic structural mimicry of such highly symmetric polyhedra from edge sharing of regular polygons has remained elusive. Here we present a novel ball-shaped {(HNEt3)[Ag37S4(SC6H4tBu)24(CF3COO)6(H2O)12]} cluster (1) that is assembled via a one-pot process from polymeric {(HNEt3)2[Ag10(SC6H4tBu)12]}n and CF3COOAg. Single crystal X-ray analysis confirmed that 1 is a Td symmetric spherical molecule with a [Ag36(SC6H4tBu)24] anion shell enwrapping a AgS4 tetrahedron. The shell topology of 1 belongs to one of 13 Archimedean solids, a truncated tetrahedron with four edge-shared hexagons and trigons, which are supported by a AgS4 Platonic solid in the core. Interestingly, the cluster emits green luminescence centered at 515 nm at room temperature. Our investigations have provided a promising synthetic protocol for a high-nuclearity silver cluster based on underlying geometrical principles.The spontaneous formation of discrete spherical nanosized molecules is prevalent in nature, but the authentic structural mimicry of such highly symmetric polyhedra from edge sharing of regular polygons has remained elusive. Here we present a novel ball-shaped {(HNEt3)[Ag37S4(SC6H4tBu)24(CF3COO)6(H2O)12]} cluster (1) that is assembled via a one-pot process from polymeric {(HNEt3)2[Ag10(SC6H4tBu)12]}n and CF3COOAg. Single crystal X-ray analysis confirmed that 1 is a Td symmetric spherical molecule with a [Ag36(SC6H4tBu)24] anion shell enwrapping a AgS4 tetrahedron. The shell topology of 1 belongs to one of 13 Archimedean solids, a truncated tetrahedron with four edge-shared hexagons and trigons, which are supported by a AgS4 Platonic solid in the core. Interestingly, the cluster emits green luminescence centered at 515 nm at room temperature. Our investigations have provided a promising synthetic protocol for a high-nuclearity silver cluster based on underlying geometrical principles

  11. Vitamin E Status and Metabolism in Adult and Aged Aryl Hydrocarbon Receptor Null Mice

    PubMed Central

    Traber, Maret G.; Mustacich, Debbie J.; Sullivan, Laura C.; Leonard, Scott W.; Ahern-Rindell, Amelia; Kerkvliet, Nancy

    2009-01-01

    The aryl hydrocarbon receptor (AhR) is involved in regulation of mechanisms for detoxification of xenobiotics, as well as vitamin A metabolism. Vitamin E is a fat-soluble nutrient whose metabolism is initialized via the cytochrome P450 system. Thus, AhR absence could alter hepatic regulation of α-tocopherol metabolism. To test this hypothesis, we assessed vitamin E status in adult (2–5 m) and old (21–22 m), wildtype and AhR-null mice. Plasma α-tocopherol concentrations in AhR null mice (2.3 ± 1.2 μmol/L, n= 19) were lower than those of wildtype mice (3.2 ± 1.2, n=17, P=0.0131); those in old mice (3.2 ± 1.2, n= 20) were higher than those of adults (2.2 ± 1.0, n=16, p=0.0075). Hepatic α-tocopherol concentrations were not different between genotypes, but were nearly double in old (32 ± 8 nmol/g, n=20) as compared with adult mice (17 ± 2, n=16, p<0.0001). Hepatic Cyp3a concentrations in AhR-null mice were greater than those in wildtypes (p=0.0011). Genotype (p=0.0047), sex (p<0.0001) and age (p<0.0001) were significant modifiers of liver α-tocopherol metabolite (α-CEHC) concentrations. In general, Cyp3a concentrations correlated with hepatic α-tocopherol (r= 0.3957, p<0.05) and α-CEHC (r=0.4260, p<0.05) concentrations. Since there were no significant genotype differences in the hepatic α- or γ-tocopherol concentrations, AhR null mice did not have dramatically altered vitamin E metabolism. Since they did have higher hepatic α-CEHC concentrations, these data suggest metabolism was up-regulated in the AhR null mice in order to maintain the hepatic tocopherol concentrations similar to those of wildtypes. PMID:20153623

  12. Epidemiology and Molecular Characterization of Macrolide-Resistant Streptococcus pyogenes in Taiwan

    PubMed Central

    Huang, Chia-Ying; Lai, Jui-Fen; Huang, I-Wen; Chen, Pei-Chen; Wang, Hui-Ying; Shiau, Yih-Ru; Cheng, Ya-Wen; Hsieh, Li-Yun; Chang, Shan-Chwen

    2014-01-01

    Our multicenter nationwide surveillance data indicated that erythromycin (ERY) resistance among group A Streptococcus (GAS) isolates in Taiwan declined from 53.1% in 1998 and 2000 to 14.6% in 2002 and 2004 and 10.7% in 2006 to 2010 (P < 0.01). The present study aimed to assess the epidemiology of GAS in Taiwan and identify factors associated with ERY resistance. All 127 ERY-resistant (ERYr) isolates and 128 randomly selected ERY-susceptible (ERYs) isolates recovered from 1998 to 2010 were emm typed. ERYr isolates were also characterized by ERY resistance phenotype and mechanisms and pulsed-field gel electrophoresis (PFGE). Multilocus sequence typing was performed on selected ERYr isolates. The predominant emm types in ERYr isolates were emm22 (n = 33, 26.0%), emm12 (n = 24, 18.9%), emm4 (n = 21, 16.5%), and emm106 (n = 15, 11.8%). In ERYs isolates, emm12 (n = 27, 21.9%), emm1 (n = 18, 14.1%), emm106 (n = 16, 12.5%), and emm11 (n = 9, 7.1%) predominated. The most common ERY resistance phenotype was the M phenotype (resistant to macrolides) (70.9%), with all but one isolate carrying mef(A), followed by the constitutive macrolide-lincosamide-streptogramin B resistance (cMLSB) phenotype (26.8%), with isolates carrying erm(B) or erm(TR). ERYr isolates of the emm12-sequence type 36 (ST36) lineage with the cMLSB phenotype were mostly present before 2004, while those of the emm22-ST46 lineage with the M phenotype predominated in later years. Recovery from respiratory (throat swab) specimens was an independent factor associated with ERY resistance. emm1 and emm11 GAS isolates were significantly associated with ERYs, while emm22 was detected only in ERYr GAS. In addition, emm106 isolates were prevalent among the abscess/pus isolates, whereas emm12 isolates were strongly associated with a respiratory (throat) origin. In addition to identifying factors associated with ERY resistance in GAS, our study provides helpful information on the changing GAS epidemiology in Taiwan. PMID

  13. Predictive Value of Molecular Subtyping for Locoregional Recurrence in Early-Stage Breast Cancer with N1 without Postmastectomy Radiotherapy

    PubMed Central

    Wen, Ge; Zhang, Jin-Shan; Zhu, Yu-Jia; Huang, Xiao-Bo; Guan, Xun-Xing

    2016-01-01

    Purpose This study was designed to investigate the relationship between molecular subtype and locoregional recurrence (LRR) in patients with early-stage breast cancer with 1–3 positive axillary lymph nodes (ALNs) and improve the individualized indications for postmastectomy radiotherapy (PMRT). Methods The records of 701 patients with pT1-2N1M0 breast cancer who did not undergo PMRT were retrospectively analyzed. Tumors were subclassified as follows: luminal A, luminal B, human epidermal growth factor receptor 2 (HER2)-enriched, and basal-like subtypes. Multivariate Cox analysis was used to determine the risk of LRR associated with the different subtypes and to adjust for clinicopathologic factors. Results Luminal A, luminal B, HER2-enriched, and basal-like subtypes accounted for 51.2%, 28.0%, 8.1%, and 12.7% of cases, respectively. The median follow-up duration was 67 months (range, 9–156 months). Univariate analysis revealed that, compared with the luminal A subtype, the HER2-enriched and basal-like subtypes were associated with significantly higher 5-year LRR rates (5.6% vs. 21.6% and vs.15.7% respectively; p=0.002 each), lower 5-year LRR-free survival (LRFS) rates (90.6% vs. 73.8% and 78.5%, respectively; p=0.001 each), and poorer 5-year breast cancer-specific survival (BCSS) rates (93.7% vs. 82.2% [p=0.002] and 84.9% [p=0.001], respectively). Multivariate analysis revealed that the HER2-enriched and basal-like subtypes, age ≤35 years, a medial tumor, and pT2 stage were poor prognostic factors for LRR and LRFS; furthermore, 2 to 3 positive ALNs represented an independent prognostic factor affecting LRR. The 10-year LRR rates of patients with 0, 1, 2, 3, and 4 risk factors were 1.0%, 6.9%, 14.3%, 30.4%, and 54.3%, respectively (p<0.001); the 10-year BCSS rates were 86.6%, 88.5%, 84.4%, 79.7%, and 38.8%, respectively (p<0.001). Conclusion Molecular subtyping allows for individualized evaluation of LRR risk in patients with pT1-2N1M0 breast cancer. PMRT should be recommended for patients with ≥3 LRR risk factors. PMID:27382394

  14. High sensitivity assays for docetaxel and paclitaxel in plasma using solid-phase extraction and high-performance liquid chromatography with UV detection

    PubMed Central

    Andersen, Anders; Warren, David J; Brunsvig, Paal F; Aamdal, Steinar; Kristensen, Gunnar B; Olsen, Harald

    2006-01-01

    Background The taxanes paclitaxel and docetaxel have traditionally been used in high doses every third week in the treatment of cancer. Lately there has been a trend towards giving weekly low doses to improve the therapeutic index. This article describes the development of high performance liquid chromatographic (HPLC) methods suitable for monitoring taxane levels in patients, focusing on patients receiving low-dose therapy. Methods Paclitaxel and docetaxel were extracted from human plasma by solid phase extraction, and detected by absorbance at 227 nm after separation by reversed phase high performance liquid chromatography. The methods were validated and their performance were tested using samples from patients receiving paclitaxel or docetaxel. Results The limits of quantitation were 1 nM for docetaxel and 1.2 nM for paclitaxel. For both compounds linearity was confirmed from the limit of quantitation up to 1000 nM in plasma. The recoveries ranged between 92% and 118% for docetaxel and between 76% and 104% for paclitaxel. Accuracy and precision were within international acceptance criteria, that is within ± 15%, except at the limit of quantitation where values within ± 20% are acceptable. Low-dose patients included in an on going clinical trial had a median docetaxel concentration of 2.8 nM at 72 hours post infusion. Patients receiving 100 mg/m2 of paclitaxel had a mean paclitaxel concentration of 21 nM 48 hours after the end of infusion. Conclusion We have developed an HPLC method using UV detection capable of quantifying 1 nM of docetaxel in plasma samples. The method should be useful for pharmacokinetic determinations at all relevant doses of docetaxel. Using a similar methodology paclitaxel can be quantified down to a concentration of 1.2 nM in plasma with acceptable accuracy and precision. We further demonstrate that the previously reported negative influence of Cremophor EL on assay performance may be overcome by degradation of the detergent by incubation with lipase. PMID:16412237

  15. Narrow scale flow across a weak field by the top of Earth's core: evidence from Ørsted, Magsat,and SV

    NASA Astrophysics Data System (ADS)

    Voorhies, C.

    2003-04-01

    To test two geophysical hypotheses against observation, the Ørsted Initial Field Model [Olsen et al., 2000] is used to estimate the radius of Earth's core by spectral methods. The model coefficients are used to compute the mean square magnetic flux density in spherical harmonics of degree n on the reference sphere (radius a = 6371.2 km), which is an observational spectrum R(n). The theoretical spectrum tested, {R(n)} = K[(n+1/2)/(n(n+1))](c/a)**(2n+4), is obtained from the hypotheses of narrow scale flow across a dynamically weak magnetic field near the top of Earth's core. It describes a low degree, core-source magnetic energy range and is similar to spectra advanced by Stevenson [1983] and McLeod [1985, 1996]. Core radius c and amplitude K are estimated by fitting log-theoretical to log-observational spectra at low degrees. Estimates of c from R(n) at degrees 1 through N range between 3441 and 3542 km as N increases from 4 to 12. None of these estimates differ significantly from the seismologic core radius (3480 km). Significant differences do occur if N exceeds 12, which is consistent with appreciable non-core (crustal) source fields at degrees 13 and above, or if other spectral forms are assumed. Similar results are obtained from 1980 epoch Magsat models [Sabaka, Olsen &Langel, 2000, 2002; Cain et al., 1990; Langel, Estes &Mead, 1982]. One way to deduce {R(n)} uses the expected low degree spectrum for secular variation (SV) induced by narrow scale flow by the top of the core, {F(n)} = Cn(n+1/2)(n+1)(c/a)**(2n+4). The value of c obtained by fitting this form to the mean observational SV spectrum from model GSFC 9/80 is 3470 +/- 91 km, also in accord with seismologic estimates. This test of the kinematic narrow scale flow hypothesis is independent of the dynamic weak field hypothesis. The agreement between SV, Magsat, Ørsted and seismologic estimates of core radius means the hypotheses pass these tests. Analysis of some recent observational SV spectra, however, reveals geodynamically intriguing deviations from this expected form, systematic deviations reminiscent of rapid quadrupole rebound, lateral heterogeneity in deep mantle electric conductivity, and perhaps variations in the lateral correlation length scales of core surface flow.

  16. Gadolinium as a Neutron Capture Therapy Agent

    NASA Astrophysics Data System (ADS)

    Shih, Jing-Luen Allen

    The clinical results of treating brain tumors with boron neutron capture therapy are very encouraging and researchers around the world are once again making efforts to develop this therapeutic modality. Boron-10 is the agent receiving the most attention for neutron capture therapy but ^{157}Gd is a nuclide that also holds interesting properties of being a neutron capture therapy agent. The objective of this study is to evaluate ^{157}Gd as a neutron capture therapy agent. In this study it is determined that tumor concentrations of about 300 mug ^{157}Gd/g tumor can be achieved in brain tumors with some FDA approved MRI contrast agents such as Gd-DTPA and Gd-DOTA, and up to 628 mug ^{157 }Gd/g tumor can be established in bone tumors with Gd-EDTMP. Monte Carlo calculations show that with only 250 ppm of ^{157}Gd in tumor, neutron capture therapy can deliver 2,000 cGy to a tumor of 2 cm diameter or larger with 5 times 10^{12} n/cm ^2 fluence at the tumor. Dose measurements which were made with films and TLD's in phantoms verified these calculations. More extended Monte Carlo calculations demonstrate that neutron capture therapy with Gd possesses comparable dose distribution to B neutron capture therapy. With 5 times 10^{12 } n/cm^2 thermal neutrons at the tumor, Auger electrons from the Gd produced an optical density enhancement on the films that is similar to the effect caused by about 300 cGy of Gd prompt gamma dose which will further enhance the therapeutic effects. A technique that combines brachytherapy with Gd neutron capture therapy has been evaluated. Monte Carlo calculations show that 5,000 cGy of prompt gamma dose can be delivered to a treatment volume of 40 cm^3 with a 3-plane implant of a total of 9 Gd needles. The tumor to normal tissue advantage of this method is as good as ^{60} Co brachytherapy. Measurements of prompt gamma dose with films and TLD-700's in a lucite phantom verify the Monte Carlo evaluation. A technique which displays the Gd

  17. High-Sensitivity C-Reactive Protein Complements Plasma Epstein-Barr Virus Deoxyribonucleic Acid Prognostication in Nasopharyngeal Carcinoma: A Large-Scale Retrospective and Prospective Cohort Study

    SciTech Connect

    Tang, Lin-Quan; Li, Chao-Feng; Chen, Qiu-Yan; Zhang, Lu; Lai, Xiao-Ping; He, Yun; Xu, Yun-Xiu-Xiu; Hu, Dong-Peng; Wen, Shi-Hua; Peng, Yu-Tuan; Chen, Wen-Hui; Liu, Huai; Guo, Shan-Shan; Liu, Li-Ting; Li, Jing; Zhang, Jing-Ping; and others

    2015-02-01

    Purpose: To evaluate the effects of combining the assessment of circulating high-sensitivity C-reactive protein (hs-CRP) with that of Epstein-Barr virus DNA (EBV DNA) in the pretherapy prognostication of nasopharyngeal carcinoma (NPC). Patients and Methods: Three independent cohorts of NPC patients (training set of n=3113, internal validation set of n=1556, and prospective validation set of n=1668) were studied. Determinants of disease-free survival, distant metastasis–free survival, and overall survival were assessed by multivariate analysis. Hazard ratios and survival probabilities of the patient groups, segregated by clinical stage (T1-2N0-1M0, T3-4N0-1M0, T1-2N2-3M0, and T3-4N2-3M0) and EBV DNA load (low or high) alone, and also according to hs-CRP level (low or high), were compared. Results: Elevated hs-CRP and EBV DNA levels were significantly correlated with poor disease-free survival, distant metastasis–free survival, and overall survival in both the training and validation sets. Associations were similar and remained significant after excluding patients with cardiovascular disease, diabetes, and chronic hepatitis B. Patients with advanced-stage disease were segregated by high EBV DNA levels and high hs-CRP level into a poorest-risk group, and participants with either high EBV DNA but low hs-CRP level or high hs-CRP but low EBV DNA values had poorer survival compared with the bottom values for both biomarkers. These findings demonstrate a significant improvement in the prognostic ability of conventional advanced NPC staging. Conclusion: Baseline plasma EBV DNA and serum hs-CRP levels were significantly correlated with survival in NPC patients. The combined interpretation of EBV DNA with hs-CRP levels led to refinement of the risks for the patient subsets, with improved risk discrimination in patients with advanced-stage disease.

  18. Interactions of human P-glycoprotein transport substrates and inhibitors at the drug binding domain: Functional and molecular docking analyses.

    PubMed

    Kadioglu, Onat; Saeed, Mohamed E M; Valoti, Massimo; Frosini, Maria; Sgaragli, Giampietro; Efferth, Thomas

    2016-03-15

    Rhodamine 123 (R123) transport substrate sensitizes P-glycoprotein (P-gp) to inhibition by compound 2c (cis-cis) N,N-bis(cyclohexanolamine)aryl ester isomer in a concentration-dependent manner in human MDR1-gene transfected mouse T-lymphoma L5178 cells as shown previously. By contrast, epirubicin (EPI) concentration changes left unaltered 2c IC50 values of EPI efflux. To clarify this discrepancy, defined molecular docking (DMD) analyses of 12 N,N-bis(cyclohexanolamine)aryl esters, the highly flexible aryl ester analog 4, and several P-gp substrate/non-substrate inhibitors were performed on human P-gp drug- or nucleotide-binding domains (DBD or NBD). DMD measurements yielded lowest binding energy (LBE, kcal/mol) values (mean ± SD) ranging from -11.8 ± 0.54 (valspodar) to -3.98 ± 0.01 (4). Lys234, Ser952 and Tyr953 residues formed H-bonds with most of the compounds. Only 2c docked also at ATP binding site (LBE value of -6.9 ± 0.30 kcal/mol). Inhibition of P-gp-mediated R123 efflux by 12 N,N-bis(cyclohexanolamine)aryl esters and 4 significantly correlated with LBE values. DMD analysis of EPI, (3)H-1EPI, (3)H-2EPI, (14)C-1EPI, (14)C-2EPI, R123 and 2c before and after previous docking of each of them indicated that pre-docking of either 2c or EPI significantly reduced LBE of both EPI and R123, and that of both (3)H-2EPI and (14)C-2EPI, respectively. Since the clusters of DBD amino acid residues interacting with EPI were different, if EPI docked alone or after pre-docking of EPI or 2c, the existence of alternative secondary binding site for EPI on P-gp is credible. In conclusion, 2c may allocate the drug-binding pocket and reduce strong binding of EPI and R123 in agreement with P-gp inhibition experiments, where 2c reduced efflux of EPI and R123. PMID:26807479

  19. Imaging carbon and nitrogen concentrations for narcotics and explosives screening

    SciTech Connect

    Trower, W.P.

    1993-12-31

    The author describes a nuclear technique for imaging carbon and nitrogen concentrations with surface densities characteristics of bulk narcotics and concealed explosives, the Carbon and the Nitrogen Camera. The physics is rooted in the tightly bound carbon-12 nucleus to which its neighboring isobars, nitrogen-12 and boron-12, decay rapidly (11 and 20 ms), mostly to its ground state, by emitting energetic beta particles (E{sub {beta}}{sup max} {approximately} 13 and 17 MeV) all of which produce bremsstrahlung and some yield annihilate radiation. The signal, photons detected in the multiscalar mode, results from the reactions {sup 13}C({gamma},p){sup 12}{Beta} for the bulk narcotics application and {sup 14}N({gamma},2n){sup 12}N and 14N({gamma},2p){sup 12}{Beta} for explosives detection and are initiated by a stepped pulsed electron beam with energy of {approximately} 30 and {approximately} 50 MeV, respectively. Images of 180 {approximately} 5 cm{sup 2} pixels taken in {approximately} 7 seconds will be presented of the carbon in a kilo of cocaine and the nitrogen in 125 grams of SEMTEX.

  20. Energy extraction from the biologic battery in the inner ear

    PubMed Central

    Mercier, Patrick P; Lysaght, Andrew C; Bandyopadhyay, Saurav; Chandrakasan, Anantha P; Stankovic, Konstantina M

    2013-01-01

    Endocochlear potential (EP) is a battery-like electrochemical gradient found in and actively maintained by the inner ear1,2. Here we demonstrate that the mammalian EP can be used as a power source for electronic devices. We achieved this by designing an anatomically sized, ultra-low quiescent-power energy harvester chip integrated with a wireless sensor capable of monitoring the EP itself. Although other forms of in vivo energy harvesting have been described in lower organisms3-5, and thermoelectric6, piezoelectric7 and biofuel8,9 devices are promising for mammalian applications, there have been few, if any, in vivo demonstrations in the vicinity of the ear, eye and brain. In this work, the chip extracted a minimum of 1.12 nW from the EP of a guinea pig for up to 5 h, enabling a 2.4 GHz radio to transmit measurement of the EP every 40–360 s. With future optimization of electrode design, we envision using the biologic battery in the inner ear to power chemical and molecular sensors, or drug-delivery actuators for diagnosis and therapy of hearing loss and other disorders. PMID:23138225

  1. Successful Treatment of Chronic Hepatitis C with Triple Therapy in an Opioid Agonist Treatment Program

    PubMed Central

    Litwin, Alain H.; Soloway, Irene J.; Cockerham-Colas, Lauren; Reynoso, Sheila; Heo, Moonseong; Tenore, Christopher; Roose, Robert J.

    2015-01-01

    Background People who inject drugs (PWID) constitute 10 million people globally with hepatitis C virus, including many opioid agonist treatment patients. Little data exist describing clinical outcomes for patients receiving HCV treatment with direct-acting antiviral agents (DAAs) in opioid agonist treatment settings. Methods In this retrospective observational study, we describe clinical outcomes for 50 genotype-1 patients receiving HCV treatment with triple therapy: telaprevir (n = 42) or boceprevir (n = 8) in combination with pegylated interferon and ribavirin on-site in an opioid agonist treatment program. Results Overall, 70% achieved an end of treatment response (ETR) and 62% achieved a sustained virological response (SVR). These treatment outcomes are nearly equivalent to previously published HCV outcomes shown in registration trials, despite high percentages of recent drug use prior to treatment (52%), ongoing drug use during treatment (45%) and psychiatric comorbidity (86%). Only 12% (n=6) discontinued antiviral treatment early for non-virological reasons. Four patients received a blood transfusion, and one discontinued telaprevir due to severe rash. Conclusions These data demonstrate that on-site HCV treatment with direct-acting antiviral agents is effective in opioid agonist treatment patients including patients who are actively using drugs. Future interferon-free regimens will likely be even more effective. Opioid agonist treatment programs represent an opportunity to safely and effectively treat chronic hepatitis C, and PWID should have unrestricted access to DAAs. PMID:26341685

  2. Structural models of the MscL gating mechanism

    NASA Technical Reports Server (NTRS)

    Sukharev, S.; Durell, S. R.; Guy, H. R.

    2001-01-01

    Three-dimensional structural models of the mechanosensitive channel of large conductance, MscL, from the bacteria Mycobacterium tuberculosis and Escherichia coli were developed for closed, intermediate, and open conformations. The modeling began with the crystal structure of M. tuberculosis MscL, a homopentamer with two transmembrane alpha-helices, M1 and M2, per subunit. The first 12 N-terminal residues, not resolved in the crystal structure, were modeled as an amphipathic alpha-helix, called S1. A bundle of five parallel S1 helices are postulated to form a cytoplasmic gate. As membrane tension induces expansion, the tilts of M1 and M2 are postulated to increase as they move away from the axis of the pore. Substantial expansion is postulated to occur before the increased stress in the S1 to M1 linkers pulls the S1 bundle apart. During the opening transition, the S1 helices and C-terminus amphipathic alpha-helices, S3, are postulated to dock parallel to the membrane surface on the perimeter of the complex. The proposed gating mechanism reveals critical spatial relationships between the expandable transmembrane barrel formed by M1 and M2, the gate formed by S1 helices, and "strings" that link S1s to M1s. These models are consistent with numerous experimental results and modeling criteria.

  3. Stochastic system identification of skin properties: linear and wiener static nonlinear methods.

    PubMed

    Chen, Yi; Hunter, Ian W

    2012-10-01

    Wiener static nonlinear system identification was used to study the linear dynamics and static nonlinearities in the response of skin and underlying tissue under indentation in vivo. A device capable of measuring the dynamic mechanical properties of bulk skin tissue was developed and it incorporates a custom-built Lorentz force actuator that measures the dynamic compliance between the input force (<12 N) and the output displacement (<20 mm). A simple linear stochastic system identification technique produced a variance accounted for (VAF) of 75-81% and Wiener static nonlinear techniques increased the VAF by 5%. Localized linear techniques increased the VAF to 85-95% with longer tests. Indentation experiments were conducted on 16 test subjects to determine device sensitivity and repeatability. Using the device, the coefficient of variation of test metrics was found to be as low as 2% for a single test location. The measured tissue stiffness was 300 N/m near the surface and 4.5 kN/m for high compression. The damping ranged from 5 to 23 N s/m. The bulk skin properties were also shown to vary significantly with gender and body mass index. The device and techniques used in this research can be applied to consumer product analysis, medical diagnosis and tissue research.

  4. First-Trimester Antihistamine Exposure and Risk of Spontaneous Abortion or Preterm Birth

    PubMed Central

    Aldridge, Tiara D.; Hartmann, Katherine E.; Michels, Kara A.; Velez Edwards, Digna R.

    2016-01-01

    Purpose We tested whether antihistamine exposure during early pregnancy is associated with spontaneous abortion (SAB) or preterm birth (PTB). Methods Women were enrolled in Right from the Start (2004-2010), a prospective pregnancy cohort. Data about first-trimester antihistamine use were obtained from screening and first-trimester interviews. Self-reported outcomes included spontaneous abortion and preterm birth and were verified by medical records. Cox proportional hazards models were used to test for an association between antihistamine use and each outcome, both performed adjusting for confounders. Results Among the 2,685 pregnancies analyzed, 14% (n=377) reported use of antihistamines. Among antihistamine users, 12% (n=44) experienced SABs, and 6% (n=21) had PTBs. Antihistamine exposure was not associated with SAB (adjusted hazard ratio [aHR]=0.88, 95% confidence interval [CI] 0.64, 1.21) or PTB, which was modified by maternal race (aHR=1.03, 95% CI 0.61,1.72 among White women and aHR=0.43, 95% CI 0.14, 1.34 among Black women). Conclusions Despite biologic plausibility that antihistamine use may influence pregnancy outcomes, we did not detect evidence of an association with SAB. These data demonstrate the utility of large prospective cohorts for evaluating drug safety in pregnancy when concerns are raised from animal models. PMID:24789281

  5. LEISURE ACTIVITY PATTERNS AND THEIR ASSOCIATIONS WITH OVERWEIGHT: A PROSPECTIVE STUDY AMONG ADOLESCENTS

    PubMed Central

    Lajunen, Hanna-Reetta; Keski-Rahkonen, Anna; Pulkkinen, Lea; Rose, Richard J.; Rissanen, Aila; Kaprio, Jaakko

    2009-01-01

    We examined longitudinal associations between individual leisure activities (television viewing, video viewing, computer games, listening to music, board games, musical instrument playing, reading, arts, crafts, socializing, clubs or scouts, sports, outdoor activities) and being overweight using logistic regression and latent class analysis in a cohort of Finnish twins responding to self-report questionnaires at 11–12 (N=5184), 14, and 17 years. We also studied activity patterns (“Active and sociable”, “Active but less sociable”, “Passive but sociable”, “Passive and solitary”) thought to represent different lifestyles. Among boys, activity patterns did not predict becoming overweight, but sports and playing an instrument reduced the risk and arts and listening to music increased it. Among girls, few individual leisure activities predicted becoming overweight. However, girls in the “Passive and solitary” cluster carried the greatest risk of becoming overweight in late adolescence. Studying leisure activities related to overweight may help focus specific interventions on high risk groups. PMID:19345989

  6. Tribological and Adhesion Properties of CVD Diamond Films Grown on Steel with a Cr-N Interlayer

    NASA Astrophysics Data System (ADS)

    Laikhtman, A.; Rapoport, L.; Perfilyev, V.; Moshkovich, A.; Akhvlediani, R.; Hoffman, A.

    2009-07-01

    In the present work we investigate friction and adhesion properties of microcrystalline diamond films grown on steel substrates with a Cr-N interlayer prepared at 500° C and 800° C. Scratch tests were performed at indentation loads of 1-4 N and sliding velocity of 0.08 mm/s. The friction coefficient and wear loss were assessed. The diamond film structure and composition are analyzed using different microscopic and spectroscopic techniques. The effect of the diamond structure on adhesion of the deposited diamond films to the substrates, as well as the friction coefficient and wear were evaluated. Continuous, good crystalline quality diamond films with a similar phase content and surface morphology were obtained on both, high and low temperature nitridated substrates, provide similar tribological properties of films. Thus, the temperature of interlayer preparation does not affect the friction coefficient and the size of wear profiles. Substantially different results were obtained when evaluating the adhesion properties of diamond films to the steel substrate. It was found that the diamond film deposited on the Cr-N interlayer prepared at 800° C shows the best adhesion. The diamond film was stable without visible cracks around the wear track during all scratch tests with different indentation loads. Weak adhesion was observed for the diamond film grown on the Cr-N interlayer prepared at a lower temperature (500° C) for which cracking and delamination of the films took place at loads of 1 N-1.2 N.

  7. The Decay of Genetic Variability in Geographically Structured Populations*

    PubMed Central

    Nagylaki, Thomas

    1974-01-01

    The geographical structure of a population distributed continuously and homogeneously along an infinite linear habitat is explored. The analysis is restricted to a single locus in the absence of selection, and every mutant is assumed to be new to the population. An explicit formula is derived for the probability that two homologous genes separated by a given distance at any time t are the same allele. The ultimate rate of approach to equilibrium is shown to be t-3/2e-2ut, where u is the mutation rate. An approximation is given for the stationary probability of allelism in an infinite two-dimensional population, which, unlike previous expressions, is finite everywhere. For a finite habitat of arbitrary shape and any number of dimensions, it is proved that if the population density is very high, then asymptotically the transient part of the probability of allelism is spatially uniform and decays at the rate e-[2u+1/(2N)]t, where N is the total population size. Thus, in this respect the population behaves as if it were panmictic. The dependence of the amount of local gene frequency differentiation on population density and habitat size and dimensionality is discussed. PMID:4528770

  8. Distribution of pelagic squids Abraliopsis Joubin, 1896 (Enoploteuthidae) and Pterygioteuthis P. Fischer, 1896 (Pyroteuthidae) (Cephalopoda, Decapodiformes, Oegopsida) in the Mexican Pacific.

    PubMed

    Hendrickx, Michel E; Urbano, Brian; Zamorano, Pablo

    2015-01-01

    The oegopsid squids Abraliopsis and Pterygioteuthis are abundant and diverse genera with taxonomic and distributional problems. Identification and distribution of species in the Mexican Pacific has been somewhat controversial. Here are provided a large series of new records for Abraliopsis affinis, Abraliopsis falco, Pterygioteuthis gemmata, Pterygioteuthis giardi and Pterygioteuthis hoylei from the Gulf of California and off the SW coast of Mexico. All five species were collected in the central or the southern Gulf of California, or in both. Abraliopsis affinis was found in seven samples with a total of 48 specimens, from 21°59' to 24°53'12"N. Abraliopsis falco was much less represented in the samples (14 specimens) but it was found in 10 localities, four of which correspond to the central-southern Gulf of California (north to 27°44'53"N) and six to SW Mexico (south to 16°49'18"N). In the case of Pterygioteuthis gemmata, only two records (three specimens) were obtained, both in the SW Gulf of California, while Pterygioteuthis giardi (nine specimens) records were all from the central Gulf of California (27°44'53" to 25°39'59"N). In the case of Pterygioteuthis hoylei (nine specimens), material was obtained in six localities, also in a restricted latitudinal range (24°23'48" to 25°56'56"N). PMID:26798236

  9. Measuring the mechanical behaviour of human oocytes with a very simple SU-8 micro-tool.

    PubMed

    Wacogne, Bruno; Pieralli, Christian; Roux, Christophe; Gharbi, Tijani

    2008-06-01

    The elasticity of human oocytes has been estimated by means of a very simple SU-8 microsystem. The device consists of a double SU-8 layer spin coated on a silicon wafer. A micro-beam is patterned by standard photolithography. The silicon wafer is back etched using deep reactive ion etching (DRIE) in order to release the micro-beam. Because the SU-8 resin exhibits a very low Young modulus, beams with stiffnesses of 12 N/m have been easily fabricated. Although the stiffness is not as low as that of Atomic Force Microscopes cantilevers, it was possible to estimate the "deformation-load" characteristics of a few oocytes. A "flattening parameter" of the oocytes is proposed as a function of the applied load and experimental values range from 0.86 microm(2)/Pa to 3.4 microm(2)/Pa for the oocytes under test. Note that this paper belongs to the very few communications concerning the mechanical behaviour of human oocytes.

  10. Hydrothermal routes to new sodium hydrogen polytungstates.

    PubMed

    Redrup, Kate V; Weller, Mark T

    2009-06-21

    The new acidic sodium polytungstates, Na(5)[H(7)W(12)O(42)].20H(2)O () and Na(2)[H(10)W(12)O(42)].20H(2)O (), have been synthesised under hydrothermal conditions where variations of pH and temperature allow control of the protonation of the [W(12)O(42)](12-) cluster in the products. The polytungstate cluster, [H(n)W(12)O(42)]((12-n)(-)), in each compound consists of the well known polyhedral unit based on 12 edge- and corner-sharing WO(6) octahedra, though the decoration of this unit with varying levels of protons results in significant changes in the W-O distances. The polytungstate clusters exist in arrays separated by sodium ions and water molecules forming well separated, (polytungstate centre to centre distance of 10.87 A), rhombohedrally stacked units in and strongly hydrogen bonded and more tightly packed units, (centre to centre distance of 9.34 A), due to the high H : Na ratio in . PMID:19488444

  11. Spin ladders and quantum simulators for Tomonaga-Luttinger liquids.

    PubMed

    Ward, S; Bouillot, P; Ryll, H; Kiefer, K; Krämer, K W; Rüegg, Ch; Kollath, C; Giamarchi, T

    2013-01-01

    Magnetic insulators have proven to be usable as quantum simulators for itinerant interacting quantum systems. In particular the compound (C(5)H(12)N)(2)CuBr(4) (for short: (Hpip)(2)CuBr(4)) was shown to be a remarkable realization of a Tomonaga-Luttinger liquid (TLL) and allowed us to quantitatively test the TLL theory. Substitution weakly disorders this class of compounds and thus allows us to use them to tackle questions pertaining to the effect of disorder in TLL as well, such as that of the formation of the Bose glass. In this paper we present, as a first step in this direction, a study of the properties of the related (Hpip)(2)CuCl(4) compound. We determine the exchange couplings and compute the temperature and magnetic field dependence of the specific heat, using a finite temperature density matrix renormalization group procedure. Comparison with the measured specific heat at zero magnetic field confirms the exchange parameters and Hamiltonian for the (Hpip)(2)CuCl(4) compound, giving the basis needed to begin studying the disorder effects.

  12. Epidemiology and molecular characterization of Streptococcus pyogenes recovered from scarlet fever patients in central Taiwan from 1996 to 1999.

    PubMed

    Chiou, Chien-Shun; Liao, Tsai-Ling; Wang, Tzu-Hui; Chang, Hsiu-Li; Liao, Jui-Cheng; Li, Chun-Chin

    2004-09-01

    One hundred seventy-nine Streptococcus pyogenes isolates recovered from scarlet fever patients from 1996 to 1999 in central Taiwan were characterized by emm, Vir, and pulsed-field gel electrophoresis (PFGE) typing methods. The protocols for Vir and PFGE typing were standardized. A database of the DNA fingerprints for the isolates was established. Nine emm or emm-like genes, 19 Vir patterns, and 26 SmaI PFGE patterns were detected among the isolates. Among the three typing methods, PFGE was the most discriminatory. However, it could not completely replace Vir typing because some isolates with identical PFGE patterns could be further differentiated into several Vir patterns. The prevalent emm types were emm4 (n = 81 isolates [45%]), emm12 (n = 64 [36%]), emm1 (n = 14 [8%]), and emm22 (n = 13 [7%]). Some emm type isolates could be further differentiated into several emm-Vir-PFGE genotypes; however, only one genotype in each emm group was usually predominant. DNA from nine isolates was resistant to SmaI digestion. Further PFGE analysis with SgrAI showed that the SmaI digestion-resistant strains could be derived from indigenous strains by horizontal transfer of exogenous genetic material. The emergence of the new strains could have resulted in an increase in scarlet fever cases in central Taiwan since 2000. The emm sequences, Vir, and PFGE pattern database will serve as a basis for information for the long-term evolutionary study of local S. pyogenes strains.

  13. Different strategies in the laboratory diagnosis of autoimmune disease: immunofluorescence, enzyme-linked immunosorbent assay or both?

    PubMed

    Rondeel, J M; van Gelder, W; van der Leeden, H; Dinkelaar, R B

    1999-03-01

    We investigated the clinical utility of different strategies for antinuclear antibodies (ANA) and antibodies to extractable nuclear antigens (ENA) testing. All requests for ANA and ENA (n = 485) in a 20-week period were tested by immunofluorescence (FANA) and immunodiffusion (strategy 1), enzyme-linked immunosorbent assay (ELISA) techniques (strategy 2) or a combination of FANA and ELISA (strategy 3). Results of strategy 1 were positive by FANA in 8% (by immunodiffusion in 2%). By ELISA, 11% of the samples tested positive. In 12% (n = 60) of the cases the two strategies did not agree. The positive predictive value (PPV) for autoimmune disease of strategy 1 was significantly higher than that for strategy 2, but after exclusion of rheumatoid arthritis this difference was abolished. In strategy 2 reagent costs were high but working time comparably shorter. With strategy 3 PPV results were not better, whereas costs and working time were higher. The most frequently occurring reasons for ANA/ENA test requests were: joint symptoms (37%), follow up (30%) or abnormal laboratory result (7%). In a survey of the clinicians 66% replied that the test result did not have any consequences, irrespective of the result or the strategy used. We conclude that FANA and immunodiffusion are superior to ELISA techniques. However, the clinical value of ANA/ENA testing is low and more selective test ordering is strongly recommended.

  14. Effect of molarity of TiO2 seeded-template to the growth of ZnO nanostructures

    NASA Astrophysics Data System (ADS)

    Asib, N. A. M.; Afaah, A. N.; Aadila, A.; Mahmud, M. R.; Lim, Y. C.; Alrokayan, Salman A. H.; Khan, Haseeb A.; Rusop, M.; Khusaimi, Z.

    2015-05-01

    ZnO nanostructures were deposited by solution-immersion method on TiO2 layers by sol-gel spin-coating technique. Seven layers of TiO2 were coated on glass substrates at different molarities, followed by annealing treatment and solution-immersion process in aqueous solution containing 1:1 ratio of 0.05 M of zinc nitrate hexahydrate (Zn(NO3)2.6H2O) and hexamethylenetetramine (HMTA) (C6H12N4). FESEM images confirmed that ZnO nanostructures grown on TiO2 seeded-template are in needle-like shape with smaller tip can be observed. Photoluminescence (PL) spectroscopy showed that as the molarity of TiO2 seeded- template increase, the intensity of PL emission at UV region decrease. UV emission peak for 0.10 M and 0.25 M are higher compared to UV emission peak film of 0.50 M and 1.00 M, which are too low. Meanwhile, the UV absorption properties of the nanostructured thin film for 0.25 M of TiO2 seeded-template was higher compared to other thin films.

  15. A best on-line algorithm for single machine scheduling the equal length jobs with the special chain precedence and delivery time

    NASA Astrophysics Data System (ADS)

    Gu, Cunchang; Mu, Yundong

    2013-03-01

    In this paper, we consider a single machine on-line scheduling problem with the special chains precedence and delivery time. All jobs arrive over time. The chains chainsi arrive at time ri , it is known that the processing and delivery time of each job on the chain satisfy one special condition CD a forehand: if the job J(i)j is the predecessor of the job J(i)k on the chain chaini, then they satisfy p(i)j = p(i)k = p >= qj >= qk , i = 1,2, ---,n , where pj and qj denote the processing time and the delivery time of the job Jj respectively. Obviously, if the arrival jobs have no chains precedence, it shows that the length of the corresponding chain is 1. The objective is to minimize the time by which all jobs have been delivered. We provide an on-line algorithm with a competitive ratio of √2 , and the result is the best possible.

  16. The laying of live larvae by the blowfly Calliphora varifrons (Diptera: Calliphoridae).

    PubMed

    Cook, David F; Voss, Sasha C; Dadour, Ian R

    2012-11-30

    This study examined larviposition in Calliphora varifrons Malloch (Diptera: Calliphoridae), an ovoviviparous blowfly of forensic importance in Western Australia. Females took 1.5 min (mean 89±10.0s, n=42) to deposit their live, first instar larvae (average body length 2.5 mm) on fresh liver in the laboratory. Females laid an average of 30 live larvae (mean of 29.9±1.2, n=50) at a rate of 1 larva every 2 s (mean of 0.46±0.05 larvae/s, n=42). Most females (66%) laid live larvae only, but 18% laid fully developed eggs (half of the egg masses laid by individual females were viable) and 16% laid live larvae and some eggs at the same time. Females laying only eggs laid a mean of 24.1±3.0, n=10 eggs on each occasion. Field females carried between 20 and 44 live larvae (mean of 33.4±1.0, n=49) with a strong linear relationship between female size and number of live larvae. In the laboratory, females typically laid larvae in multiple locations. Very few females (<8%) retained some larvae in their ovisacs, retaining on average, half of their complement of developed larvae. Those larvae retained had begun to be resorbed by the female with necrosis evident on the posterior segments.

  17. A novel one-dimensional metal-organic framework with a μ-cyanido-argentate group: catena-poly[[(5,5'-dimethyl-2,2'-bipyridyl-κ(2)N,N')silver(I)]-μ-cyanido-κ(2)N:C].

    PubMed

    Piromchom, Jureepan; Othong, Jintana; Boonmak, Jaursup; Mutikainen, Ilpo; Youngme, Sujittra

    2015-12-01

    The design and synthesis of metal coordination and supramolecular frameworks containing N-donor ligands and dicyanidoargentate units is of interest due to their potential applications in the fields of molecular magnetism, catalysis, nonlinear optics and luminescence. In the design and synthesis of extended frameworks, supramolecular interactions, such as hydrogen bonding, π-π stacking and van der Waals interactions, have been exploited for molecular recognition associated with biological activity and for the engineering of molecular solids.The title compound, [Ag(CN)(C12H12N2)]n, crystallizes with the Ag(I) cation on a twofold axis, half a cyanide ligand disordered about a centre of inversion and half a twofold-symmetric 5,5'-dimethyl-2,2'-bipyridine (5,5'-dmbpy) ligand in the asymmetric unit. Each Ag(I) cation exhibits a distorted tetrahedral geometry; the coordination environment comprises one C(N) atom and one N(C) atom from substitutionally disordered cyanide bridging ligands, and two N atoms from a bidentate chelating 5,5'-dmbpy ligand. The cyanide ligand links adjacent Ag(I) cations to generate a one-dimensional zigzag chain. These chains are linked together via weak nonclassical intermolecular interactions, generating a two-dimensional supramolecular network. PMID:26632831

  18. Transition from one-dimensional water to ferroelectric ice within a supramolecular architecture.

    PubMed

    Zhao, Hai-Xia; Kong, Xiang-Jian; Li, Hui; Jin, Yi-Chang; Long, La-Sheng; Zeng, Xiao Cheng; Huang, Rong-Bin; Zheng, Lan-Sun

    2011-03-01

    Ferroelectric materials are characterized by spontaneous electric polarization that can be reversed by inverting an external electric field. Owing to their unique properties, ferroelectric materials have found broad applications in microelectronics, computers, and transducers. Water molecules are dipolar and thus ferroelectric alignment of water molecules is conceivable when water freezes into special forms of ice. Although the ferroelectric ice XI has been proposed to exist on Uranus, Neptune, or Pluto, evidence of a fully proton-ordered ferroelectric ice is still elusive. To date, existence of ferroelectric ice with partial ferroelectric alignment has been demonstrated only in thin films of ice grown on platinum surfaces or within microdomains of alkali-hydroxide doped ice I. Here we report a unique structure of quasi-one-dimensional (H(2)O)(12n) wire confined to a 3D supramolecular architecture of H(4)CDTA, trans-1,2-diaminocyclohexane-N,N,N',N'-tetraacetic acid; 4,4'-bpy, 4,4'-bipyridine). In stark contrast to the bulk, this 1D water wire not only exhibits enormous dielectric anomalies at approximately 175 and 277 K, respectively, but also undergoes a spontaneous transition between "1D liquid" and "1D ferroelectric ice" at approximately 277 K. Hitherto unrevealed properties of the 1D water wire will be valuable to the understanding of anomalous properties of water and synthesis of novel ferroelectric materials.

  19. Fabrication of ZnO nanostructures sensitized with CdS quantum dots for photovoltaic application using a convenient solution method

    SciTech Connect

    Liu, Huan; Zhang, Gengmin; Yin, Jianbo; Liang, Jia; Sun, Wentao; Shen, Ziyong

    2015-01-15

    Zinc oxide (ZnO) nanostructures sensitized with cadmium sulfide quantum dots (CdS QDs) were fabricated using a simple and inexpensive solution method. ZnO nanostructures, in the form of either nanocones or nanorods, were first grown directly from fluorine-doped tin oxide (FTO) substrates in aqueous solutions of zinc nitrate (Zn(NO{sub 3}){sub 2}) and hexamethylenetetramine (HMTA, C{sub 6}H{sub 12}N{sub 4}) under external voltages. Then, CdS QDs were attached to these ZnO nanostructures via reactions in the mixed aqueous solutions of cadmium nitrate (Cd(NO{sub 3}){sub 2}) and thioacetamide (C{sub 2}H{sub 5}NS). Photovoltaic responses were obtained from the quantum dot sensitized solar cells (QDSSCs) in which these CdS QD-covered ZnO nanostructures were employed as the photoanodes. The morphologies of the ZnO nanostructures, which could be effectively modulated via the substrate location in the solutions during the fabrication, were found to have played an important role in determining the properties of the QDSSCs.

  20. Crystal structure of bis­(propane-1,3-diaminium) hexa­fluorido­aluminate di­aqua­tetra­fluorido­aluminate tetra­hydrate

    PubMed Central

    Abdi, Insaf; Al-Sadhan, Khulood; Ben Ali, Amor

    2014-01-01

    The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di­amino­propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di­ammonium dicat­ions, [AlF6]3− and [AlF4(H2O)2]− anions and four water mol­ecules. The cations, anions and three of the independent water mol­ecules are situated on special positions mm, while the fourth water mol­ecule is disordered about a mirror plane. In the crystal, inter­molecular N—H⋯F and O—H⋯F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol­ecules, which generate O—H⋯O hydrogen bonds and further consolidate the packing. PMID:25552968

  1. Fourier-Transform Raman and Fourier-Transform Infrared Spectroscopy (An Investigation of Five Higher Plant Cell Walls and Their Components).

    PubMed Central

    Sene, CFB.; McCann, M. C.; Wilson, R. H.; Grinter, R.

    1994-01-01

    Infrared and Raman spectra of sequentially extracted primary cell walls and their pectic polymers were obtained from five angiosperm plants. Fourier-transform Raman spectrometry was shown to be a powerful tool for the investigation of primary cell-wall architecture at a molecular level, providing complementary information to that obtained by Fourier-transform infrared microspectroscopy. The use of an extraction procedure using imidazole instead of cyclohexane trans-1,2-N,N,N[prime],N[prime]-diaminotetraacetate allows the extension of the infrared spectral window for data interpretation from 1300 to 800 cm-1, to 2000 to 800 cm-1, and allows us to obtain Raman spectra from extracted cell-wall material. Wall constituents such as pectins, proteins, aromatic phenolics, cellulose, and hemicellulose have characteristic spectral features that can be used to identify and/or fingerprint these polymers without, in most cases, the need for any physical separation. The Gramineae (rice [Oryza sativa], polypogon [Polypogon fugax steud], and sweet corn [Zea mays]) are spectroscopically very different from the nongraminaceous monocotyledon (onion [Allium cepa]) and the dicotyledon (carrot [Daucus carota]); this reflects differences in chemical composition and cross-linking of the walls. The possibility of a taxonomic classification of plant cell walls based on infrared and Raman spectroscopies and the use of spectral fingerprinting for authentication and detection of adulteration of products rich in cell-wall materials are discussed. PMID:12232436

  2. Identification of natural compounds with antiviral activities against SARS-associated coronavirus.

    PubMed

    Li, Shi-You; Chen, Cong; Zhang, Hai-Qing; Guo, Hai-Yan; Wang, Hui; Wang, Lin; Zhang, Xiang; Hua, Shi-Neng; Yu, Jun; Xiao, Pei-Gen; Li, Rong-Song; Tan, Xuehai

    2005-07-01

    More than 200 Chinese medicinal herb extracts were screened for antiviral activities against Severe Acute Respiratory Syndrome-associated coronavirus (SARS-CoV) using 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium inner salt (MTS) assay for virus-induced cytopathic effect (CPE). Four of these extracts showed moderate to potent antiviral activities against SARS-CoV with 50% effective concentration (EC50) ranging from 2.4 +/- 0.2 to 88.2 +/- 7.7 microg/ml. Out of the four, Lycoris radiata was most potent. To identify the active component, L. radiata extract was subjected to further fractionation, purification, and CPE/MTS assays. This process led to the identification of a single substance lycorine as an anti-SARS-CoV component with an EC50 value of 15.7 +/- 1.2 nM. This compound has a CC50 value of 14980.0 +/- 912.0 nM in cytotoxicity assay and a selective index (SI) greater than 900. The results suggested that four herbal extracts and the compound lycorine are candidates for the development of new anti-SARS-CoV drugs in the treatment of SARS. PMID:15885816

  3. Urban rivers as conveyors of hydrocarbons to sediments of estuarine areas: source characterization, flow rates and mass accumulation.

    PubMed

    Mauad, Cristiane R; Wagener, Angela de L R; Massone, Carlos G; Aniceto, Mayara da S; Lazzari, Letícia; Carreira, Renato S; Farias, Cássia de O

    2015-02-15

    Aliphatic (n-C12-n-C40, unresolved complex mixture, resolved peaks) and aromatic hydrocarbons (46 PAH) were investigated in suspended particulate matter (SPM) sampled over eleven months in six of the major rivers and two channels of the Guanabara Bay Basin. PAH flow rates of the most contaminated rivers, the contribution to the PAH sediment load of the receiving bay, and the main sources of hydrocarbons were determined. PAH (38) ranged from 28 ng L(-1) to 11,514 ng L(-1). Hydrocarbon typology and statistical evaluation demonstrated contribution of distinct sources in different regions and allowed quantification of these contributions. Total flow rate for the five major rivers amounts to 3 t year(-1) and responds for 30% of the total PAH annual input into the northern area of the Guanabara Bay. For the first time PAH mass deposited in the bay sediments has been estimated and shall serve as base for decision making and source abatement. PMID:25434473

  4. A breadth-first quadtree coding scheme for multicolored spatial data

    NASA Astrophysics Data System (ADS)

    Chang, Henry Ker-Chang; Tso, Cheng-Kuan

    1996-03-01

    In this paper, we apply the newly developed linear quadtree coding technique 2DTE to construct a single multicolored quadtree for a multicolored thematic map. The proposed 2DTE technique is designed on the basis of a Morton sequence, template matching, and the breadth-first traversal order. With the Morton sequence, we can generate the quaternary codes for various functions of a multicolored thematic map; the decision of decomposition is derived using the concept of template matching. The performance, in terms of memory space and time complexity, for the proposed 2DTE technique is analyzed and compared using an agricultural image of four objects. The result of a single multicolored quadtree derived by the breadth-first traversal order is compared with that of a set of linear quadtrees based on Gargantini's method. The experimental results show that the proposed method has an advantage of obvious memory space reduction over the result of Gargantini's method. Besides, theoretic analysis is derived from an image of size 2 n × 2 n, where n is the resolution parameter and there are 2 n × 2 n colors. The proposed method needs 8 n × 4 n - 1 bits to encode whereas Gargantini's method needs 12 n × 4 n - 1 bits. The feasibility of the proposed scheme therefore can be verified by the performance comparisons.

  5. Associations between metals in residential environmental media and exposure biomarkers over time in infants living near a mining-impacted site.

    PubMed

    Zota, Ami R; Riederer, Anne M; Ettinger, Adrienne S; Schaider, Laurel A; Shine, James P; Amarasiriwardena, Chitra J; Wright, Robert O; Spengler, John D

    2016-09-01

    Infant exposures to metals are a concern for mining-impacted communities, although limited information is available to assess residential exposures over the first year of life. We measured lead (Pb), manganese, arsenic, and cadmium in indoor air, house dust, yard soil, and tap water from 53 infants' homes near the Tar Creek Superfund Site (Oklahoma, USA) at two time points representing developmental stages before and during initial ambulation (age 0-6 and 6-12 months). We measured infant metal biomarkers in: umbilical cord blood (n=53); 12- (n=43) and 24- (n=22) month blood; and hair at age 12 months (n=39). We evaluated cross-sectional and longitudinal associations between infant residential and biomarker concentrations. A doubling of mean dust Pb concentration was consistently associated with 36-49% higher 12-month blood Pb adjusting for cord blood Pb (P⩽0.05). Adjusted dust concentration explained 29-35% of blood Pb variance, and consistent associations with other media were not observed. Although concentrations in dust and blood were generally low, strong and consistent associations between dust and body burden suggest that house dust in mining-impacted communities may impact children's health. These relationships were observed at a young age, typically before blood Pb levels peak and when children's development may be particularly vulnerable to toxic insult. PMID:26648247

  6. Spin ladders and quantum simulators for Tomonaga-Luttinger liquids.

    PubMed

    Ward, S; Bouillot, P; Ryll, H; Kiefer, K; Krämer, K W; Rüegg, Ch; Kollath, C; Giamarchi, T

    2013-01-01

    Magnetic insulators have proven to be usable as quantum simulators for itinerant interacting quantum systems. In particular the compound (C(5)H(12)N)(2)CuBr(4) (for short: (Hpip)(2)CuBr(4)) was shown to be a remarkable realization of a Tomonaga-Luttinger liquid (TLL) and allowed us to quantitatively test the TLL theory. Substitution weakly disorders this class of compounds and thus allows us to use them to tackle questions pertaining to the effect of disorder in TLL as well, such as that of the formation of the Bose glass. In this paper we present, as a first step in this direction, a study of the properties of the related (Hpip)(2)CuCl(4) compound. We determine the exchange couplings and compute the temperature and magnetic field dependence of the specific heat, using a finite temperature density matrix renormalization group procedure. Comparison with the measured specific heat at zero magnetic field confirms the exchange parameters and Hamiltonian for the (Hpip)(2)CuCl(4) compound, giving the basis needed to begin studying the disorder effects. PMID:23221064

  7. Role of 2',6'-dimethyl-l-tyrosine (Dmt) in some opioid lead compounds.

    PubMed

    Balboni, Gianfranco; Marzola, Erika; Sasaki, Yusuke; Ambo, Akihiro; Marczak, Ewa D; Lazarus, Lawrence H; Salvadori, Severo

    2010-08-15

    Here we evaluated how the interchange of the amino acids 2',6'-dimethyl-L-tyrosine (Dmt), 2',6'-difluoro-L-tyrosine (Dft), and tyrosine in position 1 can affect the pharmacological characterization of some reference opioid peptides and pseudopeptides. Generally, Dft and Tyr provide analogues with a similar pharmacological profile, despite different pK(a) values. Dmt/Tyr(Dft) replacement gives activity changes depending on the reference opioid in which the modification was made. Whereas, H-Dmt-Tic-Asp *-Bid is a potent and selective delta agonist (MVD, IC(50)=0.12nM); H-Dft-Tic-Asp *-Bid and H-Tyr-Tic-Asp *-Bid are potent and selective delta antagonists (pA(2)=8.95 and 8.85, respectively). When these amino acids are employed in the synthesis of deltorphin B and its Dmt(1) and Dft(1) analogues, the three compounds maintain a very similar delta agonism (MVD, IC(50) 0.32-0.53 nM) with a decrease in selectivity relative to the Dmt(1) analogue. In the less selective H-Dmt-Tic-Gly *-Bid the replacement of Dmt with Dft and Tyr retains the delta agonism but with a decrease in potency. Antagonists containing the Dmt-Tic pharmacophore do not support the exchange of Dmt with Dft or Tyr.

  8. Better band gaps with asymptotically corrected local exchange potentials

    DOE PAGESBeta

    Singh, Prashant; Harbola, Manoj K.; Hemanadhan, M.; Mookerjee, Abhijit; Johnson, D. D.

    2016-02-22

    In this study, we formulate a spin-polarized van Leeuwen and Baerends (vLB) correction to the local density approximation (LDA) exchange potential [R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994)] that enforces the ionization potential (IP) theorem following T. Stein et al. [Phys. Rev. Lett. 105, 266802 (2010)]. For electronic-structure problems, the vLB correction replicates the behavior of exact-exchange potentials, with improved scaling and well-behaved asymptotics, but with the computational cost of semilocal functionals. The vLB + IP correction produces a large improvement in the eigenvalues over those from the LDA due to correct asymptotic behaviormore » and atomic shell structures, as shown in rare-gas, alkaline-earth, zinc-based oxides, alkali halides, sulfides, and nitrides. In half-Heusler alloys, this asymptotically corrected LDA reproduces the spin-polarized properties correctly, including magnetism and half-metallicity. We also consider finite-sized systems [e.g., ringed boron nitride (B12N12) and graphene (C24)] to emphasize the wide applicability of the method.« less

  9. Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitro-phen-yl)triaz-2-en-1-yl-idene]-2,3-di-hydro-1H-imidazole.

    PubMed

    Patil, Siddappa; Bugarin, Alejandro

    2014-10-01

    The title compound, C11H12N6O2, a π-conjugated triazene, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an E conformation about the -N=N- bond and have slightly twisted overall conformations. In mol-ecule A, the imidazole ring is inclined to the benzene ring by 8.12 (4)°, while in mol-ecule B the two rings are inclined to one another by 7.73 (4)°. In the crystal, the independent mol-ecules are linked to each other by C-H⋯O hydrogen bonds, forming -A-A-A- and -B-B-B- chains along [100]. The chains are linked by C-H⋯O and C-H⋯N hydrogen bonds, forming sheets lying parallel to (001). The sheets are linked by further C-H⋯N hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.5243 (5) Å; involving the imidazole ring of mol-ecule A and the benzene ring of mol-ecule B], forming a three-dimensional framework structure. PMID:25484658

  10. Creep behavior of a rabbit model of ligament laxity after electrothermal shrinkage in vivo.

    PubMed

    Wallace, Andrew L; Hollinshead, Robert M; Frank, Cyril B

    2002-01-01

    Deformation of capsular tissue under constant load (creep) may lead to recurrent laxity after thermal shrinkage for shoulder instability. We investigated the effects of thermal shrinkage in a rabbit model in which the tibial insertion of the medial collateral ligament was elevated and shifted toward the joint line to create abnormal laxity. On the right side, radiofrequency electrothermal energy was applied to the shifted ligament, while the left side served as a control. Length, laxity, mass, cross-sectional area, water content, and creep behavior of the ligament were assessed at 0 (N = 8), 3 (N = 7), and 12 (N = 6) weeks postoperatively. Laxity was reduced with thermal treatment (0.65 +/- 0.31 compared with 3.33 +/- 0.25 mm). After 3 weeks, ligament mass, area, and water content were significantly increased in the thermally treated group compared with the untreated controls. At 12 weeks, cyclic creep strain remained greater than that in controls (1.25% +/- 0.65% compared with 0.93% +/- 0.22%). Although thermal shrinkage reduced laxity, there was increased potential to creep and failure at low physiologic stresses. These findings suggest that loading of thermally treated tissues should be carefully controlled during the early phase of rehabilitation after surgery. PMID:11799003

  11. High Affinity Dopamine D3 Receptor (D3R)-Selective Antagonists Attenuate Heroin Self-Administration in Wild-Type but not D3R Knockout Mice

    PubMed Central

    2015-01-01

    The dopamine D3 receptor (D3R) is a promising target for the development of pharmacotherapeutics to treat substance use disorders. Several D3R-selective antagonists are effective in animal models of drug abuse, especially in models of relapse. Nevertheless, poor bioavailability, metabolic instability, and/or predicted toxicity have impeded success in translating these drug candidates to clinical use. Herein, we report a series of D3R-selective 4-phenylpiperazines with improved metabolic stability. A subset of these compounds was evaluated for D3R functional efficacy and off-target binding at selected 5-HT receptor subtypes, where significant overlap in SAR with D3R has been observed. Several high affinity D3R antagonists, including compounds 16 (Ki = 0.12 nM) and 32 (Ki = 0.35 nM), showed improved metabolic stability compared to the parent compound, PG648 (6). Notably, 16 and the classic D3R antagonist SB277011A (2) were effective in reducing self-administration of heroin in wild-type but not D3R knockout mice. PMID:26203768

  12. Improved pharmacokinetics of Yttrium-90 delivery with multivalent Fab{prime} fragments

    SciTech Connect

    Turner, A.; Boyce, B.A.; Antoniw, P.

    1994-05-01

    Humanised monoclonal antibodies have circulating half-lives in man of many days and one of the problems in using Yttrium-90 labelled versions for tumor therapy is the level of consequent whole body radiation. F(ab`){sub 2} fragments are rapidly cleared from the circulation but have relatively poor tumor uptake in biodistribution experiments. We initially developed a chemically cross-linked F(ab`)2 species (divalent Fab` maleimide or DFM) capable of carrying Yttrium-90 complexed to a 12N4 macrocycle. Although the DFM derived from the Fab` of cB72.3 had the desired pharmacokinetics of blood clearance with good tumor uptake in athymic nude mice carrying human tumor xenografts, significant retention of radioactivity by the kidneys was observed. We then progressed to higher oligomers and found that the trivalent Fab` maleimide (TFM), obtained via the structure below (n=3), when labelled with Y-90 possessed acceptable pharmacokinetics and good tumor uptake without kidney accumulation of radioactivity. The clinical evaluation of this technology is in progress.

  13. Planar microwave and millimeter-wave lumped elements and coupled-line filters using micro-machining techniques

    NASA Astrophysics Data System (ADS)

    Chi, Chen-Yu; Rebeiz, Gabriel M.

    1995-04-01

    Planar microwave and millimeter-wave inductors and capacitors have been fabricated on high-resistivity silicon substrates using micromachining techniques. The inductors and capacitors are suspended on a thin dielectric membrane to reduce the parasitic capacitance to ground. The resonant frequencies of a 1.2 nH and a 1.7-nH inductor have been increased from 22 GHz and 17 GHz to around 70 GHz and 50 GHz, respectively. We also report on the design and measurement of a new class of stripline filters suspended on a thin dielectric membrane. Interdigitated filters with 43% and 5% bandwidth have been fabricated and exhibit a port-to-port 0.7 dB and 2.0 dB loss, respectively, at 14-15 GHz. The micromachining fabrication technique can be used with silicon and GaAs substrates in microstrip or coplanar-waveguide configurations to result in planar low-loss lumped elements and filters suitable for monolithic integration or surface mount devices up to 100 GHz.

  14. Pure Lovelock Kasner metrics

    NASA Astrophysics Data System (ADS)

    Camanho, Xián O.; Dadhich, Naresh; Molina, Alfred

    2015-09-01

    We study pure Lovelock vacuum and perfect fluid equations for Kasner-type metrics. These equations correspond to a single Nth order Lovelock term in the action in d=2N+1,2N+2 dimensions, and they capture the relevant gravitational dynamics when aproaching the big-bang singularity within the Lovelock family of theories. Pure Lovelock gravity also bears out the general feature that vacuum in the critical odd dimension, d=2N+1, is kinematic, i.e. we may define an analogue Lovelock-Riemann tensor that vanishes in vacuum for d=2N+1, yet the Riemann curvature is non-zero. We completely classify isotropic and vacuum Kasner metrics for this class of theories in several isotropy types. The different families can be characterized by means of certain higher order 4th rank tensors. We also analyze in detail the space of vacuum solutions for five- and six dimensional pure Gauss-Bonnet theory. It possesses an interesting and illuminating geometric structure and symmetries that carry over to the general case. We also comment on a closely related family of exponential solutions and on the possibility of solutions with complex Kasner exponents. We show that the latter imply the existence of closed timelike curves in the geometry.

  15. Photoaffinity Labeling of Developing Jojoba Seed Microsomal Membranes with a Photoreactive Analog of Acyl-Coenzyme A (Acyl-CoA) (Identification of a Putative Acyl-CoA:Fatty Alcohol Acyltransferase.

    PubMed Central

    Shockey, J. M.; Rajasekharan, R.; Kemp, J. D.

    1995-01-01

    Jojoba (Simmondsia chinensis, Link) is the only plant known that synthesizes liquid wax. The final step in liquid wax biosynthesis is catalyzed by an integral membrane enzyme, fatty acyl-coenzyme A (CoA):fatty alcohol acyltransferase, which transfers an acyl chain from acyl-CoA to a fatty alcohol to form the wax ester. To purify the acyltransferase, we have labeled the enzyme with a radioiodinated, photoreactive analog of acyl-CoA, 12-[N-(4-azidosalicyl)amino] dodecanoyl-CoA (ASD-CoA). This molecule acts as an inhibitor of acyltransferase activity in the dark and as an irreversible inhibitor upon exposure to ultraviolet light. Oleoyl-CoA protects enzymatic activity in a concentration-dependent manner. Photolysis of microsomal membranes with labeled ASD-CoA resulted in strong labeling of two polypeptides of 57 and 52 kD. Increasing concentrations of oleoyl-CoA reduced the labeling of the 57-kD polypeptide dramatically, whereas the labeling of the 52-kD polypeptide was much less responsive to oleoyl-CoA. Also, unlike the other polypeptide, the labeling of the 57-kD polypeptide was enhanced considerably when photolyzed in the presence of dodecanol. These results suggest that a 57-kD polypeptide from jojoba microsomes may be the acyl-CoA:fatty alcohol acyltransferase. PMID:12228351

  16. Continuous-time symmetric Hopfield nets are computationally universal.

    PubMed

    Síma, Jirí; Orponen, Pekka

    2003-03-01

    We establish a fundamental result in the theory of computation by continuous-time dynamical systems by showing that systems corresponding to so-called continuous-time symmetric Hopfield nets are capable of general computation. As is well known, such networks have very constrained Lyapunov-function controlled dynamics. Nevertheless, we show that they are universal and efficient computational devices, in the sense that any convergent synchronous fully parallel computation by a recurrent network of n discrete-time binary neurons, with in general asymmetric coupling weights, can be simulated by a symmetric continuous-time Hopfield net containing only 18n + 7 units employing the saturated-linear activation function. Moreover, if the asymmetric network has maximum integer weight size w(max) and converges in discrete time t*, then the corresponding Hopfield net can be designed to operate in continuous time Theta(t*/epsilon) for any epsilon > 0 such that w(max)2(12n)

  17. Cadmium-113 shielding tensors of cadmium compounds. 3. Single-crystal studies on cadmium glycinate monohydrate and cadmium dinitrato bis(1,1,3,3-tetramethyl-2-thiourea)

    SciTech Connect

    Honkonen, R.S.; Marchetti, P.S.; Ellis, P.D.

    1986-03-05

    Cadmium glycinate monohydrate and cadmium dinitrato bis(1,1,3,3-tetramethyl-2-thiourea) have been investigated by single-crystal oriented /sup 113/Cd NMR. The cadmium shielding tensor elements for the two sulfur-four oxygen system in Cd(C/sub 5/H/sub 12/N/sub 2/S)/sub 2/(NO/sub 3/)/sub 2/ are -340, +308, and +327 ppm for sigma/sub 11/, sigma/sub 22/, and sigma/sub 33/, respectively. The 438 ppm anisotropy and the extreme magnitude of sigma/sub 11/ are discussed in terms of cadmium-sulfur and cadmium-nitrate interactions. The orientation of the shielding tensor is in agreement with previous results for oxo-cadmium crystals. The /sup 113/Cd shielding tensor elements for Cd(NH/sub 2/CH/sub 2/CO/sub 2/)''H/sub 2/O were determined to be -116, +200, and +256 ppm relative to solid Cd(ClO/sub 4/)/sub 2/. The orientation of the tensor in this two nitrogen-four oxygen system was found to be dominated by the glycinate chelate moieties. 25 references, 3 figures, 4 tables.

  18. 125I-DPDYN, monoiodo(D-Pro10)dynorphin(1-11): a highly radioactive and selective probe for the study of kappa opioid receptors

    SciTech Connect

    Gairin, J.E.; Jomary, C.; Pradayrol, L.; Cros, J.; Meunier, J.C.

    1986-02-13

    The mono- and diiodinated derivatives of the kappa-selective ligand (D-Pro10)dynorphin(1-11), DPDYN, were prepared. Their binding properties at the three opioid receptor types (mu, delta and kappa) were examined and compared to those of the parent peptide. The monoiodo derivative shows a general although moderate decrease in affinity and retains high kappa selectivity (KI mu/KI kappa = 48 and KI delta/KI kappa = 140). The binding properties of the diiodo derivative are found to be dramatically decreased. Radioiodination of DPDYN leads to the monoiodinated peptide with high specific activity (700-800 Ci/mmol). In guinea-pig cerebellum membranes, a kappa-specific tissue, (125I)-labelled monoiodo(D-Pro10)dynorphin(1-11), 125I-DPDYN, interacts specifically and reversibly with a single class of binding sites (Bmax = 118 fmol/mg protein) with a high affinity (KD = 0.12 nM from equilibrium experiments, 0.18 nM from kinetics studies). Therefore, because of its high specific radioactivity, high affinity and reasonably good selectivity, 125I-DPDYN designates itself as the probe of the k-opioid receptor type.

  19. Recent results from the Tara tandem mirror and Constance-B mirror

    SciTech Connect

    Post, R.S.; Brau, K.; Casey, J.; Chen, X.; Coleman, J.; Garner, R.; Golovato, S.; Gerver, M.; Goodman, D.; Guss, W.

    1986-11-01

    The Tara tandem mirror program has studied anchor and ponderomotive stabilization, axicell plugging with ECH and ICRF, sloshing ion buildup in the axicells, and halo formation and stabilization by an axisymmetric divertor. Central cell plasma parameters achieved by midplane fueling and slow wave ICRF heating from a local magnetic hill are ..beta.. = 1.2%, n/sub e/ = 3 x 10/sup 12/ cm/sup -3/. The plasma is stabilized both by anchor ion ..beta.. and by ponderomotive stabilization with the central cell ICRF in combination with a magnetic divertor, realizing a completely axisymmetric configuration. Anchor ICRF creates non-Boltzman potential plugging of central cell ions. Neutral beam injection establishes a sloshing ion distribution for a cold dense central cell stream; the hot ion confinement is classical and dominated by electron drag. Axicell ECH plugging experiments lead to near total reduction in endloss, but also to a decrease in the central cell density, indicating increased radial losses. Single-ended ECH plugging shows no increase in opposite endloss. Single-ended plugging with axicell ICRF produces 50% reduction in ion endloss, with about half of the reflected ions observed in the opposite endloss. In the Constance-B quadrupole mirror the hot electron pressure profile is peaked off-axis and has the shape of a baseball seam.

  20. Cosmogenic Backgrounds in Borexino at 3800 m water-equivalent depth

    SciTech Connect

    Bellini, G.; Avanzini, M. Buizza; Caccianiga, B.; D'Angelo, D.; Benziger, J.; Bick, D.; Bonfini, G.; Cavalcante, P.; Fomenko, K.; Bravo, D.; Cadonati, L.; Calaprice, F.; Chavarria, A.; Galbiati, C.; Chepurnov, A.; Davini, S.; Empl, A.; Derbin, A.; Etenko, A.; Franco, D. [APC, Univ. Paris Diderot, CNRS and others

    2013-08-01

    The solar neutrino experiment Borexino, which is located in the Gran Sasso underground laboratories, is in a unique position to study muon-induced backgrounds in an organic liquid scintillator. In this study, a large sample of cosmic muons is identified and tracked by a muon veto detector external to the liquid scintillator, and by the specific light patterns observed when muons cross the scintillator volume. The yield of muon-induced neutrons is found to be Y{sub n} = (3.10±0.11)·10{sup −4} n/(μ·(g/cm{sup 2})). The distance profile between the parent muon track and the neutron capture point has the average value λ = (81.5±2.7) cm. Additionally the yields of a number of cosmogenic radioisotopes are measured for {sup 12}N, {sup 12}B, {sup 8}He, {sup 9}C, {sup 9}Li, {sup 8}B, {sup 6}He, {sup 8}Li, {sup 11}Be, {sup 10}C and {sup 11}C. All results are compared with Monte Carlo simulation predictions using the FLUKA and GEANT4 packages. General agreement between data and simulation is observed for the cosmogenic production yields with a few exceptions, the most prominent case being {sup 11}C yield for which both codes return about 50% lower values. The predicted μ-n distance profile and the neutron multiplicity distribution are found to be overall consistent with data.

  1. Updated design for a low-noise, wideband transimpedance photodiode amplifier

    SciTech Connect

    Paul, S. F.; Marsala, R.

    2006-10-15

    The high-speed rotation diagnostic developed for Columbia's HBT-EP tokamak requires a high quantum efficiency, very low drift detector/amplifier combination. An updated version of the circuit developed originally for the beam emission spectroscopy experiment on TFTR is being used. A low dark current (2 nA at 15 V bias), low input source capacitance (2 pF) FFD-040 N-type Si photodiode is operated in photoconductive mode. It has a quantum efficiency of 40% at the 468.6 nm (He II line that is being observed). A low-noise field-effect transistor (InterFET IFN152 with e{sub Na}=1.2 nV/{radical}Hz) is used to reduce the noise in the transimpedance preamplifier (A250 AMPTEK op-amp) and a very high speed (unity-gain bandwidth=200 MHz) voltage feedback amplifier (LM7171) is used to restore the frequency response up to 100 kHz. This type of detector/amplifier is photon-noise limited at this bandwidth for incident light with a power of >{approx}2 nW. The circuit has been optimized using SIMETRIX 4.0 SPICE software and a prototype circuit has been tested successfully. Though photomultipliers and avalanche photodiodes can detect much lower light levels, for light levels >2 nW and a 10 kHz bandwidth, this detector/amplifier combination is more sensitive because of the absence of excess (internally generated) noise.

  2. Impact Toughness Properties of Nickel- and Manganese-Free High Nitrogen Austenitic Stainless Steels

    NASA Astrophysics Data System (ADS)

    Mohammadzadeh, Roghayeh; Akbari, Alireza; Mohammadzadeh, Mina

    2016-10-01

    A large amount of manganese (>10 wt pct) in nickel-free high nitrogen austenitic stainless steels (Ni-free HNASSs) can induce toxicity. In order to develop Ni-free HNASSs with low or no manganese, it is necessary to investigate their mechanical properties for biomedical applications. This work aims to study the Charpy V-notch (CVN) impact toughness properties of a Ni- and Mn-free Fe-22.7Cr-2.4Mo-1.2N HNASS plate in the temperature range of 103 K to 423 K (-170 °C to 150 °C). The results show that unlike conventional AISI 316L austenitic stainless steel, the Ni- and Mn-free HNASS exhibits a sharp ductile-to-brittle transition (DBT). The intergranular brittle fracture associated with some plasticity and deformation bands is observed on the fracture surface at 298 K (25 °C). Electron backscattered diffraction (EBSD) analysis of the impact-tested sample in the longitudinal direction indicates that deformation bands are parallel to {111} slip planes. By decreasing the temperature to 273 K, 263 K, and 103 K (0 °C, -10 °C, and -70 °C), entirely intergranular brittle fracture occurs on the fracture surface. The fracture mode changes from brittle fracture to ductile as the temperature increases to 423 K (150 °C). The decrease in impact toughness is discussed on the basis of temperature sensitivity of plastic flow and planarity of deformation mechanism.

  3. Quantitative SPET 99Tcm-DMSA uptake by the kidneys: age-related decline in healthy males.

    PubMed

    Groshar, D; Gorenberg, M; Osamah, H

    1998-09-01

    To evaluate if 99Tcm-dimercaptosuccinic acid (99Tcm-DMSA) uptake by the kidneys is related to age and creatinine clearance in males with normal renal function, quantitative single photon emission tomography (SPET) of DMSA uptake by the kidneys was performed in 18 volunteers aged 20-79 years. The quantitative uptake of DMSA in the right kidney was 13.9 +/- 2.9% and in the left kidney 14.2 +/- 3.0%. There was no statistically significant difference between left and right kidney uptake (t = 1.2, N.S.). Global kidney uptake (right + left) was 28.1 +/- 5.9%. There was a statistically significant age-related decline in global DMSA uptake. The estimated DMSA uptake (%) was given by -0.27 x age + 42 (r = -0.87, P < 0.001). A good correlation was found between creatinine clearance and global DMSA uptake (r = 0.87, y = 2.8x + 28.3, P < 0.001). The results suggest that normal values of DMSA uptake by the kidneys are age-dependent.

  4. Beliefs about parental authority legitimacy among refugee youth in Jordan: Between- and within-person variations.

    PubMed

    Smetana, Judith G; Ahmad, Ikhlas; Wray-Lake, Laura

    2016-03-01

    We examined within- and between-person variations in parental legitimacy beliefs in a sample of 883 Arab refugee youth (M(age) = 15.01 years, SD = 1.60), 277 Iraqis, 275 Syrians, and 331 Palestinians, in Amman, Jordan. Latent profile analyses of 22 belief items yielded 4 profiles of youth. The normative profile (67% of the sample, n = 585) most strongly endorsed parental authority legitimacy for prudential (risky) items, followed by moral, conventional, and then friendship items, with legitimacy lowest for personal items. The low-normative profile (10%, n = 85) followed a similar pattern, although legitimacy ratings were significantly lower than normative youth for most items, but not the personal ones. Rebellious youth (11%, n = 96) held deviant peer values; they endorsed less legitimacy, particularly for prudential and friendship items, than did youth in other profiles. Mixed youth (12%, n = 101) were similar to rebellious youth in some judgments and ryouth in others. Profile membership did not differ by adolescents' age or parental socioeconomic status but did differ by gender and national background. Youth fitting the normative (and to some extent, the low-normative) profile rated parents higher in support, behavioral control, and knowledge of adolescents' activities and lower in psychological control-disrespect and harsh punishment than did rebellious or mixed youth. Normative (and also, but less consistently, low-normative) youth reported better psychosocial adjustment across multiple measures than did rebellious and mixed youth. (PsycINFO Database Record

  5. Crystal structure of bacillus subtilis YdaF protein : a putative ribosomal N-acetyltransferase.

    SciTech Connect

    Brunzelle, J. S.; Wu, R.; Korolev, S. V.; Collart, F. R.; Joachimiak, A.; Anderson, W. F.; Biosciences Division; Northwestern Univ.; Saint Louis Univ. School of Medicine

    2004-12-01

    Comparative sequence analysis suggests that the ydaF gene encodes a protein (YdaF) that functions as an N-acetyltransferase, more specifically, a ribosomal N-acetyltransferase. Sequence analysis using basic local alignment search tool (BLAST) suggests that YdaF belongs to a large family of proteins (199 proteins found in 88 unique species of bacteria, archaea, and eukaryotes). YdaF also belongs to the COG1670, which includes the Escherichia coli RimL protein that is known to acetylate ribosomal protein L12. N-acetylation (NAT) has been found in all kingdoms. NAT enzymes catalyze the transfer of an acetyl group from acetyl-CoA (AcCoA) to a primary amino group. For example, NATs can acetylate the N-terminal {alpha}-amino group, the {epsilon}-amino group of lysine residues, aminoglycoside antibiotics, spermine/speridine, or arylalkylamines such as serotonin. The crystal structure of the alleged ribosomal NAT protein, YdaF, from Bacillus subtilis presented here was determined as a part of the Midwest Center for Structural Genomics. The structure maintains the conserved tertiary structure of other known NATs and a high sequence similarity in the presumed AcCoA binding pocket in spite of a very low overall level of sequence identity to other NATs of known structure.

  6. Associations between maternal and paternal parenting behaviors, anxiety and its precursors in early childhood: A meta-analysis.

    PubMed

    Möller, Eline L; Nikolić, Milica; Majdandžić, Mirjana; Bögels, Susan M

    2016-04-01

    In this meta-analysis we investigated differential associations between maternal and paternal parenting behaviors (overcontrol, overprotection, overinvolvement, autonomy granting, challenging parenting) and anxiety and its precursors (fearful temperament, behavioral inhibition, shyness) in children (0-5years). Two meta-analyses were conducted, one for mothers (k=28, N=5,728), and one for fathers (k=12, N=1,019). In general, associations between parenting and child anxiety were small. Associations between child anxiety and overcontrol, overprotection, and overinvolvement did not differ for mothers and fathers. Maternal autonomy granting was not significantly related to child anxiety, and no studies examined fathers' autonomy granting. A significant difference was found for challenging parenting; mothers' challenging parenting was not significantly related to child anxiety, whereas fathers' challenging parenting was related to less child anxiety. Post-hoc meta-analyses revealed that mothers' and fathers' parenting was more strongly related to children's anxiety symptoms than to child anxiety precursors. Moreover, the association between parenting and child anxiety symptoms was stronger for fathers than for mothers. In conclusion, although parenting plays only a small role in early childhood anxiety, fathers' parenting is at least as important as mothers'. Paternal challenging behavior even seems more important than maternal challenging behavior. Research is needed to determine whether challenging fathering can prevent child anxiety development.

  7. Etude des etats electroniques en champ magnetique dans le niveau de Landau N=0 de la tricouche ABC de graphene

    NASA Astrophysics Data System (ADS)

    Rondeau, Maxime

    Dans cet ouvrage nous etudions les phases du gaz d'electrons bidimensionnel dans la tricouche de graphene en empilement ABC. En partant du modele des liaisons fortes et en faisant l'approximation du continuum autour des vallees K +, K-, nous obtenons un modele effectif a deux bandes qui permet de decrire la physique de basse energie des electrons en champ magnetique dans cette structure. Ce modele contient trois orbitales degenerees dans le niveau de Landau N = O. Ce dernier est donc 12N φ, fois degeneres en incluant les degres de liberte de spin et de vallee. En ajoutant l'interaction de Coulomb au systeme et en considerant seulement les remplissages v = -5, -4, -4, 5 afin d'avoir un systeme a trois niveaux, nous etudions le diagramme de phase du gaz d'electrons en fonction d'un biais electrique entre les couches externes. Nous trouvons une phase d'onde de densite de charge bidimensionnelle (ODC2D) comme etat fondamental du systeme. Cette ODC2D se nomme cristal dans ce memoire et nous derivons ses proprietes de transports et ses modes collectifs. Nous discutons egalement du caractere topologique de ce cristal. Notre etude englobe aussi les phases liquides avec ou sans coherence orbitale. Nous concluons notre memoire par l'etude de quelques signatures experimentales des phases du gaz d'electrons dans la tricouche.

  8. SWIR InGaAs/GaAsSb type-II quantum well photodetectors and spectrometers integrated on SOI

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    The short-wave infrared wavelength range (2-3 μm) is attractive for applications in gas sensing and next-generation communication systems. Photodetectors and wavelength (de)multiplexers are key components that have to be developed for these systems. In this contribution, we report the integration of InGaAs/GaAsSb type-II quantum well photodetectors and spectrometers on the silicon photonics platform. In this photodetector epitaxial layer stack, the absorbing active region consists of 6 periods of W-shaped quantum wells, which can also be used to realize lasers. The efficient coupling between silicon waveguides and quantum well photodetectors is realized by tapered III-V waveguides. The photodetectors have a very low dark current of 12 nA at -0.5 V bias at room temperature. The devices show a responsivity of 1.2 A/W at 2.32 μm wavelength, and higher than 0.5A/W over the 2.2-2.4 μm wavelength range. On the silicon-on-insulator platform we also demonstrate high performance short-wave infrared spectrometers. 8-channel spectrometers in the 2.3-2.4 μm range with a resolution of 5nm and 1.4nm are demonstrated, showing a cross-talk below -25 dB and an insertion loss lower than 3 dB.

  9. Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.

    PubMed

    Thangavelu, Sonia G; Cahill, Christopher L

    2015-05-01

    Three novel uranyl(VI) peroxide complexes, [(UO2)2(CH3COO)2(O2)(C10H8N2)] (1), [(UO2)2(CH3COO)2(O2)(C12H12N2)] (2), and [(UO2)3(CH3COO)4(O2)(C15H11N3)2] (3), have been synthesized and characterized by single-crystal X-ray diffraction, powder X-ray diffraction, and luminescence spectroscopy. Each of these structures feature a [(UO2)2(O2)] dimer with additional coordination by acetate, 2,2'-bipyridine (BPY), 5,5'-dimethyl-2,2'-bipyridine (MeBPY), or 2,2':6,2″-terpyridine (TPY). Compound 3 consists of an additional uranyl unit functionalized with a TPY donor ligand. The presence of the peroxo ligand in 1-3 is due to in situ generation of peroxide when preparative solutions of 1-3 were exposed to ambient light and/or sunlight.

  10. Adhesion determination of dental porcelain to zirconia using the Schwickerath test: strength vs. fracture energy approach.

    PubMed

    Kosyfaki, P; Swain, M V

    2014-11-01

    Two approaches to measure the fracture energy to delaminate four different porcelains from zirconia substrates are compared using Schwickerath adhesion strength test specimens. In all instances it was possible to stably extend the crack along or adjacent to the porcelain-zirconia interface. The fracture energy expended to delaminate the porcelain was found by determining the work of fracture upon loading to 12 N and then unloading. Additional tests were undertaken on specimens notched along the interface, which enabled the compliance of the cracked Schwickerath specimens to be calibrated. The strain energy and deflection of the Schwickerath specimen as a function of crack length were derived. On this basis a simple expression was determined for the strain energy release rate or interfacial fracture toughness from the minima in the force-displacement curves. Consequently two measures of the adhesion energy were determined, the work of fracture and the strain energy release rate. It was found that the ranking for the four porcelains bonded to zirconia differed depending upon the approach. The work of fracture was substantially different from the strain energy release rate for three of the porcelain-zirconia systems and appears to be directly related to the residual stresses present in the bonded structures. The relative merits of the strain energy release rate, work of fracture vs. the stress to initiate cracking in the case of the Schwickerath adhesion test, are discussed. The advantage of this test is that it enables three estimates of the adhesion for porcelain veneers bonded to zirconia.

  11. Effect of fast neutrons on the electric resistivity of porcelain for application in fast-neutron dosimetry

    SciTech Connect

    Fadel, M.A.; Abdel-Fattah, W.I.; Abdulla, A.A.; Kadum, A.A.

    1982-11-01

    The electric resistivity (rho) of quartz and alumina porcelain was measured before and after irradiation with different fluences (phi) of fission neutrons in the range of 10/sup 7/-10/sup 12/ n/cm/sup 2/ and at different temperatures in the range of 20-90/sup 0/C. The results showed that the activation energy (..delta..E) for quartz porcelain decreased progressively with the increase of phi, while it remained approximately constant for alumina porcelain. Moreover, the electric resistivity of alumina porcelain decreased with the increase of phi. However, there were no measureable effects of /sup 60/Co ..gamma.. doses up to 0.6 Mrad on the electric resistivities of the samples. An empirical formula for calculating phi from the measured value of ..delta..E for quartz porcelain was achieved. A semiempirical formula for calculating phi for the resistivity data for the alumina porcelain is given. The effect of neutron energies on the induced changes in (rho) for the alumina porcelain was investigated. Additionally, the effect of storage at 50/sup 0/C for periods up to 3 weeks on these changes were also measured.

  12. Methane Activation Mediated by a Series of Cerium-Vanadium Bimetallic Oxide Cluster Cations: Tuning Reactivity by Doping.

    PubMed

    Ma, Jia-Bi; Meng, Jing-Heng; He, Sheng-Gui

    2016-04-18

    The reactions of cerium-vanadium cluster cations Cex Vy Oz (+) with CH4 are investigated by time-of-flight mass spectrometry and density functional theory calculations. (CeO2 )m (V2 O5 )n (+) clusters (m=1,2, n=1-5; m=3, n=1-4) with dimensions up to nanosize can abstract one hydrogen atom from CH4 . The theoretical study indicates that there are two types of active species in (CeO2 )m (V2 O5 )n (+) , V[(Ot )2 ](.) and [(Ob )2 CeOt ](.) (Ot and Ob represent terminal and bridging oxygen atoms, respectively); the former is less reactive than the latter. The experimentally observed size-dependent reactivities can be rationalized by considering the different active species and mechanisms. Interestingly, the reactivity of the (CeO2 )m (V2 O5 )n (+) clusters falls between those of (CeO2 )2-4 (+) and (V2 O5 )1-5 (+) in terms of C-H bond activation, thus the nature of the active species and the cluster reactivity can be effectively tuned by doping.

  13. Impact of local recharge on arsenic concentrations in shallow aquifers inferred from the electromagnetic conductivity of soils in Araihazar, Bangladesh

    NASA Astrophysics Data System (ADS)

    Aziz, Z.; van Geen, A.; Stute, M.; Versteeg, R.; Horneman, A.; Zheng, Y.; Goodbred, S.; Steckler, M.; Weinman, B.; Gavrieli, I.; Hoque, M. A.; Shamsudduha, M.; Ahmed, K. M.

    2008-07-01

    The high-degree of spatial variability of dissolved As levels in shallow aquifers of the Bengal Basin has been well documented but the underlying mechanisms remain poorly understood. We compare here As concentrations measured in groundwater pumped from 4700 wells <22 m (75 ft) deep across a 25 km2 area of Bangladesh with variations in the nature of surface soils inferred from 18,500 measurements of frequency domain electromagnetic induction. A set of 14 hand auger cores recovered from the same area indicate that a combination of grain size and the conductivity of soil water dominate the electromagnetic signal. The relationship between pairs of individual EM conductivity and dissolved As measurements within a distance of 50 m is significant but highly scattered (r2 = 0.12; n = 614). Concentrations of As tend to be lower in shallow aquifers underlying sandy soils and higher below finer-grained and high conductivity soils. Variations in EM conductivity account for nearly half the variance of the rate of increase of As concentration with depth, however, when the data are averaged over a distance of 50 m (r2 = 0.50; n = 145). The association is interpreted as an indication that groundwater recharge through permeable sandy soils prevents As concentrations from rising in shallow reducing groundwater.

  14. Sulfapyridine (polymorph III), sulfapyridine dioxane solvate, sulfapyridine tetrahydrofuran solvate and sulfapyridine piperidine solvate, all at 173 K.

    PubMed

    Pratt, Jamal; Hutchinson, Janna; Stevens, Cheryl L Klein

    2011-12-01

    The X-ray crystal structures of solvates of sulfapyridine have been determined to be conformational polymorphs. 4-Amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide (polymorph III), C(11)H(11)N(3)O(2)S, (1), 4-amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide 1,3-dioxane monosolvate, C(11)H(11)N(3)O(2)S·C(4)H(8)O(2), (2), and 4-amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide tetrahydrofuran monosolvate, C(11)H(11)N(3)O(2)S·C(4)H(8)O, (3), crystallized as the imide form, while piperidin-1-ium 4-amino-N-(pyridin-2-yl)benzenesulfonamidate, C(5)H(12)N(+)·C(11)H(10)N(3)O(2)S(-), (4), crystallized as the piperidinium salt. The tetrahydrofuran and dioxane solvent molecules in their respective structures were disordered and were refined using a disorder model. Three-dimensional hydrogen-bonding networks exist in all structures between at least one sulfone O atom and the aniline N atom. PMID:22138921

  15. Controlling the Neutron Yield from a Small Dense Plasma Focus using Deuterium-Inert Gas Mixtures

    SciTech Connect

    Bures, B. L.; Krishnan, M.; Eshaq, Y.

    2009-01-21

    The dense plasma focus (DPF) is a well known source of neutrons when operating with deuterium. The DPF is demonstrated to scale from 10{sup 4} n/pulse at 40 kA to >10{sup 12} n/pulse at 2 MA by non-linear current scaling as described in [1], which is itself based on the simple yet elegant model developed by Lee [2]. In addition to the peak current, the gas pressure controls the neutron yield. Recent published results suggest that mixing 1-5% mass fractions of Krypton increase the neutron yield per pulse by more than 10x. In this paper we present results obtained by mixing deuterium with Helium, Neon and Argon in a 500 J dense plasma focus operating at 140 kA with a 600 ns rise time. The mass density was held constant in these experiments at the optimum (pure) deuterium mass density for producing neutrons. A typical neutron yield for a pure deuterium gas charge is 2x10{sup 6}{+-}15% n/pulse. Neutron yields in excess of 10{sup 7}{+-}10% n/pulse were observed with low mass fractions of inert gas. Time integrated optical images of the pinch, soft x-ray measurements and optical emission spectroscopy where used to examine the pinch in addition to the neutron yield monitor and the fast scintillation detector. Work supported by Domestic Nuclear Detection Office under contract HSHQDC-08-C-00020.

  16. Geoeffectiveness of Stream Interaction Regions during 2007-2008

    NASA Astrophysics Data System (ADS)

    Sanchez-Garcia, Elsa; Aguilar-Rodriguez, Ernesto; Ontiveros, Veronica

    2016-07-01

    The Stream Interaction Regions (SIRs) are generated in the interplanetary medium when a fast solar wind stream overtakes a slower one. If these large-scale phenomena interact with the Earth's magnetosphere they can give rise to geomagnetic storms (GSs). In this study we analyze the degree of geoeffectiveness of 20 events that were generated by SIRs. The events were observed during the 2007-2008 period that comprising the extended downward phase of solar cycle 23. The degree of geoeffectivity is measured using magnetic indices from different latitudes: PCN (Polar cap north), PCS (polar cap south), AA (antipodal amplitude), AE (Auroral Electrojet), Kp (estimated global index) and Dst (Disturbance storm time). We discuss some results on the correlation of these magnetic indices with the characteristics of shocks associated with the SIRs observed by STEREO-A/B, WIND and ACE spacecraft. All the 20 SIRs events generated GSs with Dst values in ranging from -86 nT up to -12 nT. Moreover, 6 out of the 20 events presented storm sudden commencement (SSC). We also discuss on the characteristics of the SIR-associated shocks and the intensity of the GSs.

  17. Terbium fluorescence as a sensitive, inexpensive probe for UV-induced damage in nucleic acids.

    PubMed

    El-Yazbi, Amira F; Loppnow, Glen R

    2013-07-01

    Much effort has been focused on developing methods for detecting damaged nucleic acids. However, almost all of the proposed methods consist of multi-step procedures, are limited, require expensive instruments, or suffer from a high level of interferences. In this paper, we present a novel simple, inexpensive, mix-and-read assay that is generally applicable to nucleic acid damage and uses the enhanced luminescence due to energy transfer from nucleic acids to terbium(III) (Tb(3+)). Single-stranded oligonucleotides greatly enhance the Tb(3+) emission, but duplex DNA does not. With the use of a DNA hairpin probe complementary to the oligonucleotide of interest, the Tb(3+)/hairpin probe is applied to detect ultraviolet (UV)-induced DNA damage. The hairpin probe hybridizes only with the undamaged DNA. However, the damaged DNA remains single-stranded and enhances the intrinsic fluorescence of Tb(3+), producing a detectable signal directly proportional to the amount of DNA damage. This allows the Tb(3+)/hairpin probe to be used for sensitive quantification of UV-induced DNA damage. The Tb(3+)/hairpin probe showed superior selectivity to DNA damage compared to conventional molecular beacons probes (MBs) and its sensitivity is more than 2.5 times higher than MBs with a limit of detection of 4.36±1.2 nM. In addition, this probe is easier to synthesize and more than eight times cheaper than MBs, which makes its use recommended for high-throughput, quantitative analysis of DNA damage.

  18. Thrust Stand for Vertically Oriented Electric Propulsion Performance Evaluation

    NASA Technical Reports Server (NTRS)

    Moeller, Trevor; Polzin, Kurt A.

    2010-01-01

    A variation of a hanging pendulum thrust stand capable of measuring the performance of an electric thruster operating in the vertical orientation is presented. The vertical orientation of the thruster dictates that the thruster must be horizontally offset from the pendulum pivot arm, necessitating the use of a counterweight system to provide a neutrally-stable system. Motion of the pendulum arm is transferred through a balance mechanism to a secondary arm on which deflection is measured. A non-contact light-based transducer is used to measure displacement of the secondary beam. The members experience very little friction, rotating on twisting torsional pivots with oscillatory motion attenuated by a passive, eddy current damper. Displacement is calibrated using an in situ thrust calibration system. Thermal management and self-leveling systems are incorporated to mitigate thermal and mechanical drifts. Gravitational restoring force and torsional spring constants associated with flexure pivots provide restoring moments. An analysis of the design indicates that the thrust measurement range spans roughly four decades, with the stand capable of measuring thrust up to 12 N for a 200 kg thruster and up to approximately 800 mN for a 10 kg thruster. Data obtained from calibration tests performed using a 26.8 lbm simulated thruster indicated a resolution of 1 mN on 100 mN-level thrusts, while those tests conducted on 200 lbm thruster yielded a resolution of roughly 2.5 micro at thrust levels of 0.5 N and greater.

  19. ZnO microstructures and nanostructures prepared by sol-gel hydrothermal technique.

    PubMed

    Kamaruddin, Sharul Ashikin; Chan, Kah-Yoong; Sahdan, Mohd Zainizan; Rusop, Mohamad; Saim, Hashim

    2010-09-01

    Zinc oxide (ZnO) is an emerging material in large area electronic applications such as thin-film solar cells and transistors. We report on the fabrication and characterization of ZnO microstructures and nanostructures. The ZnO microstructures and nanostructures have been synthesized using sol-gel immerse technique on oxidized silicon substrates. Different precursor's concentrations ranging from 0.0001 M to 0.01 M (M=molarity) using zinc nitrate hexahydrate [Zn(NO3)2. 6H2O] and hexamethylenetetramine [C6H12N4] were employed in the synthesis of the ZnO structures. The surface morphologies were examined using scanning electron microscope (SEM) and atomic force microscope (AFM). In order to investigate the structural properties, the ZnO microstructures and nanostructures were measured using X-ray diffractometer (XRD). The optical properties of the ZnO structures were measured using photoluminescence (PL) and ultraviolet-visible (UV-Vis) spectroscopies.

  20. Review of commonly used clinical pathology parameters for general gastrointestinal disease with emphasis on small animals.

    PubMed

    Steiner, Jörg M

    2014-01-01

    A wide variety of markers are available to assess the function and pathology of the gastrointestinal (GI) tract. This review describes some of these markers with special emphasis given to markers used in dogs and cats. Small intestinal disease can be confirmed and localized by the measurement of serum concentrations of folate and cobalamin. Fecal α1-proteinase inhibitor concentration can increase in individuals with excessive GI protein loss. A wide variety of inflammatory markers are available for a variety of species that can be used to assess the inflammatory activity of various types of inflammatory cells in the GI tract, although most of these markers assess neutrophilic inflammation, such as neutrophil elastase, calprotectin, or S100A12. N-methylhistamine can serve as a marker of mast cell infiltration. Markers for lymphocytic or eosinophilic inflammation are currently under investigation. Exocrine pancreatic function can be assessed by measurement of serum concentrations of pancreatic lipase immunoreactivity (PLI) and trypsin-like immunoreactivity (TLI). Serum PLI concentration is increased in individuals with pancreatitis and has been shown to be highly specific for exocrine pancreatic function and sensitive for pancreatitis. Serum TLI concentration is severely decreased in individuals with exocrine pancreatic insufficiency. PMID:24129757

  1. Synthesis and spectral study of new azo dye and its iron complexes derived from 2-naphthol and 2-amino-3-hydroxypyridine

    SciTech Connect

    G, Vidya V. Sadasivan, V.; Meena, S. S. Bhatt, Pramod

    2014-10-15

    An azodye C{sub 5}H{sub 12}N{sub 3}O{sub 2} [LH] is synthesised by coupling diazotised 2-amino-3-hydroxy pyridine with 2-naphthol in ice cold condition. The Fe(II)and Fe(III) complexes were prepared by mixing ethanol solution of metal salt and azodye in 1:2 molar ratio. The dye and metal complexes are structurally characterised by elemental analysis, molar conductance, magnetic susceptibility measurements and spectral techniques like IR, UV-Vis, and Mössbauer analysis. Analytical data suggests the stoichiometry as [FeL{sub 2}Cl(H{sub 2}O)] for Fe(III) complex and [FeL{sub 2}(H{sub 2}O)] for Fe(II) complex. The IR spectral data suggests that [L{sup −}] is acting as a uninegative bidentate ligand. A high spin octahedral geometry is tentatively proposed for both the complexes with respect to the above studies.

  2. Performance of a first generation X-band photoelectron rf gun

    NASA Astrophysics Data System (ADS)

    Limborg-Deprey, C.; Adolphsen, C.; McCormick, D.; Dunning, M.; Jobe, K.; Li, H.; Raubenheimer, T.; Vrielink, A.; Vecchione, T.; Wang, F.; Weathersby, S.

    2016-05-01

    Building more compact accelerators to deliver high brightness electron beams for the generation of high flux, highly coherent radiation is a priority for the photon science community. A relatively straightforward reduction in footprint can be achieved by using high-gradient X-band (11.4 GHz) rf technology. To this end, an X-band injector consisting of a 5.5 cell rf gun and a 1-m long linac has been commissioned at SLAC. It delivers an 85 MeV electron beam with peak brightness somewhat better than that achieved in S-band photoinjectors, such as the one developed for the Linac Coherent Light Source (LCLS). The X-band rf gun operates with up to a 200 MV /m peak field on the cathode, and has been used to produce bunches of a few pC to 1.2 nC in charge. Notably, bunch lengths as short as 120 fs rms have been measured for charges of 5 pC (˜3 ×107 electrons), and normalized transverse emittances as small as 0.22 mm-mrad have been measured for this same charge level. Bunch lengths as short as 400 (250) fs rms have been achieved for electron bunches of 100 (20) pC with transverse normalized emittances of 0.7 (0.35) mm-mrad. We report on the performance and the lessons learned from the operation and optimization of this first generation X-band gun.

  3. Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma cruzi Sterol 14α-Demethylase: Two Regions of the Enzyme Molecule Potentiate Its Inhibition

    PubMed Central

    2015-01-01

    Chagas disease, which was once thought to be confined to endemic regions of Latin America, has now gone global, becoming a new worldwide challenge with no cure available. The disease is caused by the protozoan parasite Trypanosoma cruzi, which depends on the production of endogenous sterols, and therefore can be blocked by sterol 14α-demethylase (CYP51) inhibitors. Here we explore the spectral binding parameters, inhibitory effects on T. cruzi CYP51 activity, and antiparasitic potencies of a new set of β-phenyl imidazoles. Comparative structural characterization of the T. cruzi CYP51 complexes with the three most potent inhibitors reveals two opposite binding modes of the compounds ((R)-6, EC50 = 1.2 nM, vs (S)-2/(S)-3, EC50 = 1.0/5.5 nM) and suggests the entrance into the CYP51 substrate access channel and the heme propionate-supporting ceiling of the binding cavity as two distinct areas of the protein that enhance molecular recognition and therefore could be used for the development of more effective antiparasitic drugs. PMID:25033013

  4. Optimization of an Imidazopyridazine Series of Inhibitors of Plasmodium falciparum Calcium-Dependent Protein Kinase 1 (PfCDPK1)

    PubMed Central

    2014-01-01

    A structure-guided design approach using a homology model of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1) was used to improve the potency of a series of imidazopyridazine inhibitors as potential antimalarial agents. This resulted in high affinity compounds with PfCDPK1 enzyme IC50 values less than 10 nM and in vitroP. falciparum antiparasite EC50 values down to 12 nM, although these compounds did not have suitable ADME properties to show in vivo efficacy in a mouse model. Structural modifications designed to address the ADME issues, in particular permeability, were initially accompanied by losses in antiparasite potency, but further optimization allowed a good balance in the compound profile to be achieved. Upon testing in vivo in a murine model of efficacy against malaria, high levels of compound exposure relative to their in vitro activities were achieved, and the modest efficacy that resulted raises questions about the level of effect that is achievable through the targeting of PfCDPK1. PMID:24689770

  5. Efficient all polymer solar cells employing donor polymer based on benzo[1,2-b:4,5-b']dithiophene unit

    NASA Astrophysics Data System (ADS)

    Ding, Guanqun; Yuan, Jianyu; Huang, Xiaodong; Liu, Zeke; Shi, Guozheng; Shi, Shaohua; Ding, Jiexiong; Wang, Hai-Qiao; Ma, Wanli

    2015-11-01

    We reported all polymer solar cells (all-PSCs) employing BDT-based donor-acceptor (D-A) polymers composed of benzo[1,2-b:4,5-b']dithiophene (BDT) and thiadiazolo[3,4-c]pyridine (PyTZ) (PBPT-8 and PBPT-12) as donor and NDI-based n-type polymer Poly{[N,N'-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)} (P(NDI2OD-T2)) (N2200) as acceptor. The influence of thermal annealing on the performance of all-PSCs was systematically investigated and discussed. It was found that the pre-annealing of the active blend films could significantly improve the all-PSCs performance. Both PBPT-8/PBPT-12:N2200 systems can deliver promising PCEs (4.12% and 4.25%) at the optimal annealing temperature of 160 oC due to the promoted film quality and charge transport properties. Morphology investigation and carrier mobility measurements have been carried out to analyze the effect of thermal annealing. This study suggests that BDT-based polymer:N2200 systems can be promising candidates for all-PSCs, with thermal annealing as an effective approach to promote the device performance.

  6. Associations of parental and peer characteristics with adolescents' social dominance orientation.

    PubMed

    Cross, Jennifer Riedl; Fletcher, Kathryn L

    2011-06-01

    Studies with adults of social dominance orientation (SDO), a preference for inequality among social groups, have found correlations with various prejudices and support for discriminatory practices. This study explores the construct among adolescents at an age when they are beginning to recognize the social groups in their environment, particularly adolescent crowds. The relationship of SDO and perceptions of parents' responsiveness and demandingness were also investigated. Subjects were in grades 9-12 (N = 516, 53% female, 96% White). Mother's and father's responsiveness significantly predicted adolescent's SDO scores, with greater perceived responsiveness associated with lower SDO. To analyze the multiple crowd memberships of the 76% belonging to more than one crowd, two-step cluster analysis was used to identify patterns, resulting in 8 clusters of distinct, heterogeneous composition. SDO differed significantly among males in different clusters, but not females. The importance of membership was positively associated with SDO among high-status crowds and negatively associated with SDO among the academic and normal crowds. The findings have implications for prejudices that may be developing in adolescence and indicate a need for further research into the social context of SDO and its development. PMID:20820895

  7. Displacement damage effects on CMOS APS image sensors induced by neutron irradiation from a nuclear reactor

    SciTech Connect

    Wang, Zujun Huang, Shaoyan; Liu, Minbo; Xiao, Zhigang; He, Baoping; Yao, Zhibin; Sheng, Jiangkun

    2014-07-15

    The experiments of displacement damage effects on CMOS APS image sensors induced by neutron irradiation from a nuclear reactor are presented. The CMOS APS image sensors are manufactured in the standard 0.35 μm CMOS technology. The flux of neutron beams was about 1.33 × 10{sup 8} n/cm{sup 2}s. The three samples were exposed by 1 MeV neutron equivalent-fluence of 1 × 10{sup 11}, 5 × 10{sup 11}, and 1 × 10{sup 12} n/cm{sup 2}, respectively. The mean dark signal (K{sub D}), dark signal spike, dark signal non-uniformity (DSNU), noise (V{sub N}), saturation output signal voltage (V{sub S}), and dynamic range (DR) versus neutron fluence are investigated. The degradation mechanisms of CMOS APS image sensors are analyzed. The mean dark signal increase due to neutron displacement damage appears to be proportional to displacement damage dose. The dark images from CMOS APS image sensors irradiated by neutrons are presented to investigate the generation of dark signal spike.

  8. Design and synthesis of bicyclic pyrimidinones as potent and orally bioavailable HIV-1 integrase inhibitors.

    PubMed

    Muraglia, Ester; Kinzel, Olaf; Gardelli, Cristina; Crescenzi, Benedetta; Donghi, Monica; Ferrara, Marco; Nizi, Emanuela; Orvieto, Federica; Pescatore, Giovanna; Laufer, Ralph; Gonzalez-Paz, Odalys; Di Marco, Annalise; Fiore, Fabrizio; Monteagudo, Edith; Fonsi, Massimiliano; Felock, Peter J; Rowley, Michael; Summa, Vincenzo

    2008-02-28

    HIV integrase is one of the three enzymes encoded by HIV genome and is essential for viral replication, but integrase inhibitors as marketed drugs have just very recently started to emerge. In this study, we show the evolution from the N-methylpyrimidinone structure to bicyclic pyrimidinones. Introduction of a suitably substituted amino moiety modulated the physical-chemical properties of the molecules and conferred nanomolar activity in the inhibition of spread of HIV-1 infection in cell culture. An extensive SAR study led to sulfamide (R)- 22b, which inhibited the strand transfer with an IC50 of 7 nM and HIV infection in MT4 cells with a CIC95 of 44 nM, and ketoamide (S)- 28c that inhibited strand transfer with an IC50 of 12 nM and the HIV infection in MT4 cells with a CIC95 of 13 nM and exhibited a good pharmacokinetic profile when dosed orally to preclinical species.

  9. Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-nitro­phen­yl)acetamide monohydrate and N-(2-chloro­phen­yl)-2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]acetamide

    PubMed Central

    Subasri, S.; Timiri, Ajay Kumar; Barji, Nayan Sinha; Jayaprakash, Venkatesan; Vijayan, Viswanathan; Velmurugan, Devadasan

    2016-01-01

    The title compounds, C12H12N6O3S·H2O, (I), and C12H12ClN5OS, (II), are 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]acetamides. Compound (I) crystallized as a monohydrate. In both compounds, the mol­ecules have a folded conformation, with the pyrimidine ring being inclined to the benzene ring by 56.18 (6)° in (I) and by 67.84 (6)° in (II). In both mol­ecules, there is an intra­molecular N—H⋯N hydrogen bond stabilizing the folded conformation. In (I), there is also a C—H⋯O intra­molecular short contact, and in (II) an intra­molecular N—H⋯Cl hydrogen bond is present. In the crystal of (I), mol­ecules are linked by a series of N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, forming undulating sheets parallel to the (100). The sheets are linked via an N—H⋯Owater hydrogen bond, forming a three-dimensional network. In the crystal of (II), mol­ecules are linked by a series of N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds, forming slabs parallel to (001). PMID:27536406

  10. Continuous-time symmetric Hopfield nets are computationally universal.

    PubMed

    Síma, Jirí; Orponen, Pekka

    2003-03-01

    We establish a fundamental result in the theory of computation by continuous-time dynamical systems by showing that systems corresponding to so-called continuous-time symmetric Hopfield nets are capable of general computation. As is well known, such networks have very constrained Lyapunov-function controlled dynamics. Nevertheless, we show that they are universal and efficient computational devices, in the sense that any convergent synchronous fully parallel computation by a recurrent network of n discrete-time binary neurons, with in general asymmetric coupling weights, can be simulated by a symmetric continuous-time Hopfield net containing only 18n + 7 units employing the saturated-linear activation function. Moreover, if the asymmetric network has maximum integer weight size w(max) and converges in discrete time t*, then the corresponding Hopfield net can be designed to operate in continuous time Theta(t*/epsilon) for any epsilon > 0 such that w(max)2(12n)

  11. Cleanup Summary Report for the Defense Threat Reduction Agency Fiscal Year 2007, Task 6.7, U12u-Tunnel (Legacy Site), Nevada Test Site, Nevada

    SciTech Connect

    NSTec Environmental Restoration

    2008-04-28

    This letter serves as notice of completion for cleanup of the U12u-Tunnel (Legacy Site) as specified in the Defense Threat Reduction Agency (DTRA) Fiscal Year 2007 Statement of Work, Task 6.7. The U12u-Tunnel Legacy Site is located near the intersection of the U12u-Tunnel access road and the U12n-Tunnel access road in Area 12 of the Nevada Test Site (see Figure 1). The site encompasses 1.2 acres and was used to store miscellaneous mining equipment and materials that were used to support DTRA testing in Area 12. Field activities commenced February 11, 2008, and were completed February 20, 2008. Radiological surveys were performed on a drill jumbo and all material stored at the site. The drill jumbo was relocated to U12p-Tunnel portal and consolidated with other critical mining equipment for future use or storage. Ten truck loads of solid waste (53 tons) were shipped to the Nevada Test Site, Area 9 U10c Sanitary Landfill for disposal. No hazardous or radiological waste was generated at this site.

  12. Molecularly imprinted polymers combination with deep eutectic solvents for solid-phase extraction of caffeic acid from hawthorn.

    PubMed

    Li, Guizhen; Tang, Weiyang; Cao, Weimin; Wang, Qian; Zhu, Tao

    2015-08-01

    Molecularly imprinted polymers (MIPs) with caffeic acid as template and non-imprinted polymers (NIPs) materials were prepared in the same procedure. Field emission scanning electron microscopy (FE-SEM) and adsorption capacity test were used to evaluate characteristic of the new materials. MIPs, NIPs and C18 were used for rapid purification of caffeic acid from hawthorn with solid-phase extraction ( SPE) , and extract yields of caffeic acid with the proposed materials were 3.46 µg/g, 1.01 µg/g and 1.17 µg/g, respectively. To optimize the MIPs-SPE procedures, different kinds of elution solutions were studied. Deep eutectic solvents (DESs) were prepared by choline chloride (ChCl)-glycerol (1/2, n/n) and choline chloride-urea (1/ 2, n/n). Methanol was mixed with the two kinds of DESs (glycerol-based DESs, urea-based DESs) in different ratios (0.5:1, 1:1, 2:1, 3:1, 4:1, 5:1, v/v), and they were used to investigated as elution solutions in the above MIPs-SPE procedures. The results showed that MIPs were potential SPE materials, and methanol/ glycerol-based DESs (3 :1, v/v) had the best elution capability with the recovery of 82.32%.

  13. Design and in vitro activities of N-alkyl-N-[(8-R-2,2-dimethyl-2H-chromen-6-yl)methyl]heteroarylsulfonamides, novel, small-molecule hypoxia inducible factor-1 pathway inhibitors and anticancer agents.

    PubMed

    Mun, Jiyoung; Jabbar, Adnan Abdul; Devi, Narra Sarojini; Yin, Shaoman; Wang, Yingzhe; Tan, Chalet; Culver, Deborah; Snyder, James P; Van Meir, Erwin G; Goodman, Mark M

    2012-08-01

    The hypoxia inducible factor (HIF) pathway is an attractive target for cancer, as it controls tumor adaptation to growth under hypoxia and mediates chemotherapy and radiation resistance. We previously discovered 3,4-dimethoxy-N-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-N-phenylbenzenesulfonamide as a novel, small-molecule HIF-1 pathway inhibitor in a high-throughput cell-based assay, but its in vivo delivery is hampered by poor aqueous solubility (0.009 μM in water; log P(7.4) = 3.7). Here we describe the synthesis of 12 N-alkyl-N-[(8-R-2,2-dimethyl-2H-chromen-6-yl)methyl]heteroarylsulfonamides, which were designed to possess optimal lipophilicities and aqueous solubilities by in silico calculations. Experimental log P(7.4) values of 8 of the 12 new analogs ranged from 1.2-3.1. Aqueous solubilities of three analogs were measured, among which the most soluble N-[(8-methoxy-2,2-dimethyl-2H-chromen-6-yl)methyl]-N-(propan-2-yl)pyridine-2-sulfonamide had an aqueous solubility of 80 μM, e.g., a solubility improvement of ∼9000-fold. The pharmacological optimization had limited impact on drug efficacy as the compounds retained IC(50) values at or below 5 μM in our HIF-dependent reporter assay.

  14. Dynamics of Saxitoxin Binding to Saxiphilin C-lobe Reveals Conformational Change

    PubMed Central

    Lewis, Penny; Fritsch, Ingrid; Gawley, Robert E.; Henry, Ralph; Kight, Alicia; Lay, Jackson O.; Liyanage, Rohana; McLachlin, Jeanne

    2008-01-01

    Thermodynamic parameters (ΔG, ΔH, ΔS, ΔCp) have been determined to evaluate the dynamics of binding of saxitoxin to the c-lobe of saxiphilin. We have developed an improved method to rapidly express and purify recombinant saxiphilin c-lobe, and fully characterized it by mass spectrometry for the first time. Surface plasmon resonance was used to characterize the interaction between saxitoxin and immobilized c-lobe. At 298K, c-lobe binds saxitoxin with KD = 1.2 nM, ΔH° = −11.7 ± 0.8 kcal/mol, and ΔS° = 1.17 ± 0.07 cal/mol·K. Analysis of ΔCp of toxin association at several temperatures suggests that hydrophobic forces contribute to the binding event. Additionally, changes in 8-anilino-1-naphthalene sulfonic acid (ANS) fluorescence upon binding to c-lobe in the presence and absence of saxitoxin support a conformational change in c-lobe upon saxitoxin binding. PMID:18023463

  15. Stereotactic Ablative Body Radiation Therapy for Octogenarians With Non-Small Cell Lung Cancer

    SciTech Connect

    Takeda, Atsuya; Sanuki, Naoko; Eriguchi, Takahisa; Kaneko, Takeshi; Morita, Satoshi; Handa, Hiroshi; Aoki, Yousuke; Oku, Yohei; Kunieda, Etsuo

    2013-06-01

    Purpose: To retrospectively investigate treatment outcomes of stereotactic ablative body radiation therapy (SABR) for octogenarians with non-small cell lung cancer (NSCLC). Methods and Materials: Between 2005 and 2012, 109 patients aged ≥80 years with T1-2N0M0 NSCLC were treated with SABR: 47 patients had histology-unproven lung cancer; 62 patients had pathologically proven NSCLC. The prescribed doses were either 50 Gy/5 fractions for peripheral tumors or 40 Gy/5 fractions for centrally located tumors. The treatment outcomes, toxicities, and the correlating factors for overall survival (OS) were evaluated. Results: The median follow-up duration after SABR was 24.2 (range, 3.0-64.6) months. Only limited toxicities were observed, except for 1 grade 5 radiation pneumonitis. The 3-year local, regional, and distant metastasis-free survival rates were 82.3%, 90.1%, and 76.8%, respectively. The OS and lung cancer-specific survival rates were 53.7% and 70.8%, respectively. Multivariate analysis revealed that medically inoperable, low body mass index, high T stage, and high C-reactive protein were the predictors for short OS. The OS for the operable octogenarians was significantly better than that for inoperable (P<.01). Conclusions: Stereotactic ablative body radiation therapy for octogenarians was feasible, with excellent OS. Multivariate analysis revealed that operability was one of the predictors for OS. For medically operable octogenarians with early-stage NSCLC, SABR should be prospectively compared with resection.

  16. Englemann spruce nitrogen dynamics across a nitrogen deposition gradient in Colorado, USA

    USGS Publications Warehouse

    Rueth, H.M.; Baron, J.S.

    2001-01-01

    We asked whether nitrogen (N) deposition has altered Englemann spruce (Picea englemannii) biogeochemistry along the east side of the Colorado Front Range, USA. Twelve similar old-growth Englemann spruce stands were sampled, six with low (1-2 kg N ha-1 yr-1) and six with higher (3-5 kg N ha-1 yr-1) N deposition inputs. Species composition, elevation, aspect, parent material, site history and climate were matched as closely as possible across all sites. High N deposition sites had significantly lower organic horizon C:N and lignin:N ratios, and foliar lignin:N and C:N ratios, as well as greater %N and N:Mg ratios, and potential net mineralization rates. The relationship between organic horizon %N and potential net mineralization rates suggests a threshold of 1.2% N, above which mineralization increases linearly. Studies in the Northeastern US and Europe have found changes in forest biogeochemistry in response to nitrogen (N) deposition inputs between 3-60 kg N ha-1 yr-1. Our results suggest that current levels of N deposition (3-5 kg N ha-1 yr-1) along the Colorado Front Range may be altering Englemann spruce biogeochemistry. The results indicate even relatively low N inputs may cause measurable changes in forest biogeochemistry.

  17. Target-specific cytotoxic effects on HER2-expressing cells by the tripartite fusion toxin ZHER2:2891-ABD-PE38X8, including a targeting affibody molecule and a half-life extension domain.

    PubMed

    Liu, Hao; Seijsing, Johan; Frejd, Fredrik Y; Tolmachev, Vladimir; Gräslund, Torbjörn

    2015-08-01

    Development of cancer treatment regimens including immunotoxins is partly hampered by their immunogenicity. Recently, deimmunized versions of toxins have been described, potentially being better suited for translation to the clinic. In this study, a recombinant tripartite fusion toxin consisting of a deimmunized version of exotoxin A from Pseudomonas aeruginosa (PE38) genetically fused to an affibody molecule specifically interacting with the human epidermal growth factor receptor 2 (HER2), and also an albumin binding domain (ABD) for half-life extension, has been produced and characterized in terms of functionality of the three moieties. Biosensor based assays showed that the fusion toxin was able to interact with human and mouse serum albumin, but not with bovine serum albumin and that it interacted with HER2 (KD=5 nM). Interestingly, a complex of the fusion toxin and human serum albumin also interacted with HER2 but with a somewhat weaker affinity (KD=12 nM). The IC50-values of the fusion toxin ranged from 6 to 300 pM on SKOV-3, SKBR-3 and A549 cells and was lower for cells with higher surface densities of HER2. The fusion toxin was found specific for HER2 as shown by blocking available HER2 receptors with free affibody molecule before subjecting the cells to the toxin. Analysis of contact time showed that 10 min was sufficient to kill 50% of the cells. In conclusion, all three regions of the fusion toxin were found to be functional.

  18. Collagen-coated vs noncoated low-weight polypropylene meshes in a sheep model for vaginal surgery. A pilot study.

    PubMed

    de Tayrac, Renaud; Alves, Antoine; Thérin, Michel

    2007-05-01

    The aims of this study were dual. First, to evaluate the feasibility of a sheep model as an animal model for vaginal surgery with meshes. Second, to compare host response to two low-weight polypropylene (PP) meshes, a noncoated (Soft Prolene, Gynecare, Ethicon) and a coated mesh with an absorbable hydrophilic film (Ugytex, Sofradim). Thirty-six 20 x 20 mm polypropylene meshes (18 coated and 18 noncoated) were surgically implanted by the vaginal route in 12 adult ewes. Meshes were implanted in the anterior (n=12) and the posterior vaginal compartments (n=24). Animals were killed 1 (n=6) and 12 (n=6) weeks after surgery. Postimplantation evaluation included macroscopical examination, histological and immunohistochemical analysis and histomorphometrical measures of the distance between the meshes and the vaginal epithelium. The experimental procedure was feasible in all cases. Vaginal erosions were observed twice as frequently with the noncoated-PP meshes (6/18, 33.3%) as with the coated-PP meshes (3/18, 16.7%), even if that difference was not significant (p=0.4). However, no differences were observed between the two meshes in terms of shrinkage, tissue ingrowth, inflammatory response, and position of the mesh in the vaginal wall. The mechanism involved in the reduction of vaginal erosion could be due to the lesser adhesion of the coated mesh on the vaginal wound during the early postoperative period. PMID:16941070

  19. Lava Lakes on Io: New Perspectives from Modeling

    NASA Technical Reports Server (NTRS)

    Gregg, Tracy K. P.; Lopes, Rosaly M.

    2004-01-01

    Ionian paterae are a class of volcanic feature that are characterized by irregular craters with steep walls, flat floors, and arcuate margins that may or may not exhibit nesting. Loki (310 W, 12 N) is Io's largest patera at approx.200 km in diameter (Figure 1), and may account for 15% of Io's total heat flow. Earth-based infrared data, as well as information collected using the Galileo Near-Infrared Mapping Spectrometer (NIMS) and the Photopolarimeter Radiometer (PPR) have been used to interpret Loki s eruption style. Debate continues over whether Loki s occasional (periodic or not) temperature increases are due to an overturning lava lake within the patera, or to an eruption of surface flows on the patera floor. Interpretation of model results and comparisons with active terrestrial lava lakes suggest that Loki behaves quite differently from active lava lakes on Earth, and that surface flows (rather than an overturning lava lake) are a more likely explanation of Loki's thermal brightening.

  20. Cross sections relevant to gamma ray astronomy

    NASA Technical Reports Server (NTRS)

    Dyer, P.; Bodansky, D.; Maxson, D. R.

    1978-01-01

    Gamma-ray production cross sections were measured for protons and alpha particles incident on targets consisting of nuclei of high cosmic abundance: C-12, N-14, O-16, Ne-20, Mg-24, Si-28 and Fe-56. Solid or gaseous targets were bombarded by monoenergetic beams of protons and alpha particles, and gamma rays were detected by two Ge(Li) detectors. The proton energy for each target was varied from threshold to about 24 MeV (lab); for alphas the range was from threshold to about 27 MeV. For most transitions, it was possible to measure the total cross section by placing the detectors at 30.5 deg and 109.9 deg where the fourth-order Legendre polynomial is zero. For the case of the 16O (E sub gamma = 6.13 MeV, multipolarity E3) cross sections, yields were measured at four angles. Absolute cross sections were obtained by integrating the beam current and by measuring target thicknesses and detector efficiencies. The Ge(Li) detector resolution was a few keV (although the peak widths were greater, due to Doppler broadening).

  1. Simulation of an advanced techniques of ion propulsion Rocket system

    NASA Astrophysics Data System (ADS)

    Bakkiyaraj, R.

    2016-07-01

    The ion propulsion rocket system is expected to become popular with the development of Deuterium,Argon gas and Hexagonal shape Magneto hydrodynamic(MHD) techniques because of the stimulation indirectly generated the power from ionization chamber,design of thrust range is 1.2 N with 40 KW of electric power and high efficiency.The proposed work is the study of MHD power generation through ionization level of Deuterium gas and combination of two gaseous ions(Deuterium gas ions + Argon gas ions) at acceleration stage.IPR consists of three parts 1.Hexagonal shape MHD based power generator through ionization chamber 2.ion accelerator 3.Exhaust of Nozzle.Initially the required energy around 1312 KJ/mol is carrying out the purpose of deuterium gas which is changed to ionization level.The ionized Deuterium gas comes out from RF ionization chamber to nozzle through MHD generator with enhanced velocity then after voltage is generated across the two pairs of electrode in MHD.it will produce thrust value with the help of mixing of Deuterium ion and Argon ion at acceleration position.The simulation of the IPR system has been carried out by MATLAB.By comparing the simulation results with the theoretical and previous results,if reaches that the proposed method is achieved of thrust value with 40KW power for simulating the IPR system.

  2. Sialic acid content in human saliva and anti-influenza activity against human and avian influenza viruses.

    PubMed

    Limsuwat, Nattavatchara; Suptawiwat, Ornpreya; Boonarkart, Chompunuch; Puthavathana, Pilaipan; Wiriyarat, Witthawat; Auewarakul, Prasert

    2016-03-01

    It was shown previously that human saliva has higher antiviral activity against human influenza viruses than against H5N1 highly pathogenic avian influenza viruses, and that the major anti-influenza activity was associated with sialic-acid-containing molecules. To further characterize the differential susceptibility to saliva among influenza viruses, seasonal influenza A and B virus, pandemic H1N1 virus, and 15 subtypes of avian influenza virus were tested for their susceptibility to human and chicken saliva. Human saliva showed higher hemagglutination inhibition (HI) and neutralization (NT) titers against seasonal influenza A virus and the pandemic H1N1 viruses than against influenza B virus and most avian influenza viruses, except for H9N2 and H12N9 avian influenza viruses, which showed high HI and NT titers. To understand the nature of sialic-acid-containing anti-influenza factors in human saliva, α2,3- and α2,6-linked sialic acid was measured in human saliva samples using a lectin binding and dot blot assay. α2,6-linked sialic acid was found to be more abundant than α2,3-linked sialic acid, and a seasonal H1N1 influenza virus bound more efficiently to human saliva than an H5N1 virus in a dot blot analysis. These data indicated that human saliva contains the sialic acid type corresponding to the binding preference of seasonal influenza viruses.

  3. Development of Jacketing Technologies for Iter CS and TF Conductor

    NASA Astrophysics Data System (ADS)

    Hamada, K.; Nakajima, H.; Matsui, K.; Kawano, K.; Takano, K.; Tsutsumi, F.; Okuno, K.; Teshima, O.; Soejima, K.

    2008-03-01

    The Japan Atomic Energy Agency (JAEA) has developed jacketing technologies for ITER Toroidal Field (TF) and Central Solenoid (CS) conductor. Full scale TF and CS conduits were fabricated using carbon-reduced SUS316LN and boron-added (˜40 ppm) high manganese stainless steel (0.025C -22Mn -13Cr -9Ni -0.12N: JK2LB), respectively. Welding condition was optimized so that back bead does not interfere a cable insertion. The weld joint samples were compacted by a compaction machine that was newly constructed and tested at 4.2 K. Mechanical characteristics at 4K of CS, TF conduits and CS welded joint satisfied ITER mechanical requirements. TF welded joint shows slightly lower value of 0.2% yield strength (885 MPa) than that of ITER requirement (900 MPa). The TF conduit contains nitrogen content of 0.14%, which is minimum value in ITER specification. The lower nitrogen content may be caused by the release of nitrogen from molten metal during non-filler welding resulting in a 4 K strength decrease. To satisfy the ITER requirements, minimum nitrogen contents of conduit should be increased from 0.14% to 0.15% at least. Therefore, JAEA successfully developed TF and CS conduits with welding technologies and finalized the procurement specification for ITER conductor jacketing.

  4. Bounds on Schr{umlt o}dinger eigenvalues for polynomial potentials in N dimensions

    SciTech Connect

    Hall, R.L.; Saad, N.

    1997-10-01

    If a single particle obeys nonrelativistic QM in R{sup N} and has the Hamiltonian H={minus}{Delta}+{summation}{sub q{gt}0}a(q)r{sup q}, a(q){ge}0, then the lowest eigenvalue E is given approximately by the semiclassical expression E=min{sub r{gt}0}{l_brace}(1/r{sup 2})+{summation}{sub q{gt}0}a(q)(P(q,N)r){sup q}{r_brace}. It is proved that this formula yields a lower bound when P(q,N)=(Ne/2){sup 1/2}(N/qe){sup 1/q}[{Gamma}(1+N/2)/{Gamma}(1+N/q)]{sup 1/N} and an upper bound when P(q,N)=(N/2){sup 1/2}[{Gamma}((N+q)/2)/{Gamma}(N/2)]{sup 1/q}. An extension is made to allow for a Coulomb term when N{gt}1. The general formula is applied to the examples V(r)=r+r{sup 2}+r{sup 3} and V(r)=r{sup 2}+r{sup 4}+r{sup 6} in dimensions 1 to 10, and the results are compared to accurate eigenvalues obtained numerically. {copyright} {ital 1997 American Institute of Physics.}

  5. Biodiversity of microalgae in Western and Eastern Ghats, India.

    PubMed

    Suresh, A; Kumar, R Praveen; Dhanasekaran, D; Thajuddin, N

    2012-10-01

    The systematic study was conducted on the microalgal flora of Western Ghats and other parts of Eastern Ghats revealed a rich wetland algal resource for biotechnological exploration. The present study reveals with the diversity of microalgal flora in the region of Kodaikanal (10 degrees 14' N, 77 degrees 28' E), Gudalur (9 degrees 19'N 77 degrees 12'E), Agasthiyar falls (9 degrees 58'N, 78 degrees 10'E) and Kolli hills (10 degrees 12'N, 77 degrees 56'E) located in Western and Eastern Ghats of Tamilnadu, India collected in May 2011. In total, 97 species of micro algae belonging to three taxonomic groups were identified, of which 41 species belonging to Cyanophyceae, 38 species from Chlorophyceae and 18 species from Bacillariophyceae. The predominant species in Cyanophyceae were Aphanothece microscopica, Chroococcus minutus, Coelospharium dubium, Hydrococcus rivularism, Oscillatoria princeps, Nostoc muscorum, Nostoc puncteforme, Nostoc commune, Gleotricha gausii, Calothrix braunii, Rivellaria sp., Tolypothrix tenuis, Scytonema schmidtii, whereas in Chlorophyceae, Chlorella sp., Scenedesmus sp., Pediastrum duplex, Cosmarium consperum, Euastrum elagans, Micrasterias americana and in Bacillariophyceae, Navicula hallophyla, Rhophaldia gebrella, Fragellaria intermedia, Pinnularia virdis, Nitzchia palliate. Physicochemical nature of water samples were analyzed and correlated with the total microalgal diversity. Based on the correlation coefficient data, the micro algae showed positive relationship with dissolved oxygen, salinity, nutrients and negative relationship with temperature and turbidity. The species diversity index (H'), Species Richness (SR) and species evenness (J') were calculated and analyzed for microalgal population dynamic variation in the Western and Eastern Ghats.

  6. Affinity of neuroleptics for D1 receptor of human brain striatum.

    PubMed Central

    Kanba, S; Suzuki, E; Nomura, S; Nakaki, T; Yagi, G; Asai, M; Richelson, E

    1994-01-01

    We determined the inhibition-dissociation constant (Ki) of a number of neuroleptics for D1 receptors of normal human brain tissue using [3H]SCH23390 [R-(+)-8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3[benzazepine-7- ol]. SCH23390 had the highest affinity with a Ki of 0.76 nM. Among clinically used drugs, propericiazine showed the highest affinity with a Ki of 10 nM. When neuroleptics were classified according to chemical structures, the Ki values were as follows. Phenothiazines ranged from 10 nM to 250 nM. Butyrophenones ranged from 45 nM to 250 nM. Thioxanthenes ranged from 12 nM to 340 nM. Orthopramines were more than 10,000 nM. The Ki values for the binding site of this study were significantly correlated with those reported in studies using animal brain. The possible relationship between D1 receptors and negative symptoms is discussed. PMID:7918347

  7. Disease control using low-dose-rate brachytherapy is unaffected by comorbid severity in oral cancer patients

    PubMed Central

    Yoshimura, R; Shibuya, H; Hayashi, K; Toda, K; Watanabe, H; Miura, M

    2011-01-01

    Objective The aim of this study was to evaluate the outcome and complications of low-dose-rate brachytherapy (LDR-BT) for oral cancer according to comorbidity. Methods The records of a total of 180 patients who received LDR-BT for T1-2N0M0 oral cancers between January 2005 and December 2007 were analysed. The comorbidities of the patients were retrospectively graded according to the Adult Comorbidity Evaluation-27, and the relationships between the comorbidity grades and survival, disease control and the incidence of complications were analysed. Results The 2 year overall survival rates of patients with no comorbidity, Grade 1, Grade 2 and Grade 3 comorbidity were 87%, 85%, 76% and 65%, respectively, and the reduction in the survival rate according to comorbid severity was significant in a univariate analysis (p = 0.032) but not in a multivariate analysis including other clinical factors. Cause-specific survival, locoregional control and local control were not related to the comorbidity grade, or any other clinical factors. Grade 2 or 3 complications developed in 27% of the patients. The incidence of complications was unrelated to the comorbidity grade. Conclusion The disease control of oral cancer and the incidence of complications after LDR-BT were not related to comorbid severity. LDR-BT is a useful and safe treatment for patients regardless of the presence of severe comorbidity. PMID:21224307

  8. Neutron detection of the Triga Mark III reactor, using nuclear track methodology

    SciTech Connect

    Espinosa, G. Golzarri, J. I.; Raya-Arredondo, R.; Cruz-Galindo, S.; Sajo-Bohus, L.

    2015-07-23

    Nuclear Track Methodology (NTM), based on the neutron-proton interaction is one often employed alternative for neutron detection. In this paper we apply NTM to determine the Triga Mark III reactor operating power and neutron flux. The facility nuclear core, loaded with 85 Highly Enriched Uranium as fuel with control rods in a demineralized water pool, provide a neutron flux around 2 × 10{sup 12} n cm{sup −2} s{sup −1}, at the irradiation channel TO-2. The neutron field is measured at this channel, using Landauer{sup ®} PADC as neutron detection material, covered by 3 mm Plexiglas{sup ®} as converter. After exposure, plastic detectors were chemically etched to make observable the formed latent tracks induced by proton recoils. The track density was determined by a custom made Digital Image Analysis System. The resulting average nuclear track density shows a direct proportionality response for reactor power in the range 0.1-7 kW. We indicate several advantages of the technique including the possibility to calibrate the neutron flux density measured at low reactor power.

  9. Matters of taste: bridging molecular physiology and the humanities.

    PubMed

    Rangachari, P K; Rangachari, Usha

    2015-12-01

    Taste perception was the focus of an undergraduate course in the health sciences that bridged the sciences and humanities. A problem-based learning approach was used to study the biological issues, whereas the cultural transmutations of these molecular mechanisms were explored using a variety of resources (novels, cookbooks, and films). Multiple evaluation procedures were used: problem summaries and problem-solving exercises (tripartite problem-solving exercise) for the problem-based learning component and group tasks and individual exercises for the cultural issues. Self-selected groups chose specific tasks from a prescribed list of options (setting up a journal in molecular gastronomy, developing an electronic tongue, designing a restaurant for synesthetes, organizing a farmers' market, marketing a culinary tour, framing hedonic scales, exploring changing tastes through works of art or recipe books, and crafting beers for space travel). Individual tasks were selected from a menu of options (book reviews, film reviews, conversations, creative writing, and oral exams). A few guest lecturers (wine making, cultural anthropology, film analysis, and nutritional epidemiology) added more flavor. The course was rated highly for its learning value (8.5 ± 1.2, n = 62) and helped students relate biological mechanisms to cultural issues (9.0 ± 0.9, n = 62). PMID:26628651

  10. A Conductometric Indium Oxide Semiconducting Nanoparticle Enzymatic Biosensor Array

    PubMed Central

    Lee, Dongjin; Ondrake, Janet; Cui, Tianhong

    2011-01-01

    We report a conductometric nanoparticle biosensor array to address the significant variation of electrical property in nanomaterial biosensors due to the random network nature of nanoparticle thin-film. Indium oxide and silica nanoparticles (SNP) are assembled selectively on the multi-site channel area of the resistors using layer-by-layer self-assembly. To demonstrate enzymatic biosensing capability, glucose oxidase is immobilized on the SNP layer for glucose detection. The packaged sensor chip onto a ceramic pin grid array is tested using syringe pump driven feed and multi-channel I–V measurement system. It is successfully demonstrated that glucose is detected in many different sensing sites within a chip, leading to concentration dependent currents. The sensitivity has been found to be dependent on the channel length of the resistor, 4–12 nA/mM for channel lengths of 5–20 μm, while the apparent Michaelis-Menten constant is 20 mM. By using sensor array, analytical data could be obtained with a single step of sample solution feeding. This work sheds light on the applicability of the developed nanoparticle microsensor array to multi-analyte sensors, novel bioassay platforms, and sensing components in a lab-on-a-chip. PMID:22163696

  11. Electrostatic MEMS vibration energy harvester for HVAC applications

    NASA Astrophysics Data System (ADS)

    Oxaal, J.; Hella, M.; Borca-Tasciuc, D.-A.

    2015-12-01

    This paper reports on an electrostatic MEMS vibration energy harvester with gapclosing interdigitated electrodes, designed for and tested on HVAC air ducts. The device is fabricated on SOI wafers using a custom microfabrication process. A dual-level physical stopper system is implemented in order to control the minimum gap between the electrodes and maximize the power output. It utilizes cantilever beams to absorb a portion of the impact energy as the electrodes approach the impact point, and a film of parylene with nanometer thickness deposited on the electrode sidewalls, which defines the absolute minimum gap and provides electrical insulation. The fabricated device was first tested on a vibration shaker to characterize its resonant behavior. The device exhibits spring hardening behavior due to impacts with the stoppers and spring softening behavior with increasing voltage bias. Testing was carried out on HVAC air duct vibrating with an RMS acceleration of 155 mgRMS and a primary frequency of 60 Hz with a PSD of 7.15·10-2 g2/Hz. The peak power measured is 12nW (0.6 nW RMS) with a PSD of 6.9·10-11 W/Hz at 240 Hz (four times of the primary frequency of 60 Hz), which is the highest output reported for similar vibration conditions and biasing voltages.

  12. Mechanical perturbation of the wrist during one-handed catching.

    PubMed

    Button, C; Davids, K; Bennett, S J; Taylor, M A

    2000-09-01

    In the present study, the co-ordination of grasp and transport components of one-handed catching was examined following mechanical perturbations applied to the wrist. Six skilled catchers (mean age = 27.5 years) performed 64 trials in which tennis balls were projected at approximately 8 ms-1. The trial blocks consisted of 10 non-perturbed trials (NPTs) (baseline), and a block of 54 trials of which 20 trials were perturbed. The perturbation was in the form of a resistive force (12 N) applied via a piece of cord attached to a mechanical brake. In baseline trials participants reached maximal wrist velocity closer to the time of hand-ball contact (237 ms +/- 68) than in the perturbed (309 ms +/- 61) condition. Furthermore the wrist velocity profile of five out of six participants exhibited a double peak immediately after a perturbation. However, aperture variables such as the relative moment of final hand closure (approximately 70% of overall movement time) were not typically affected. The stability of grasp and transport coupling for one-handed catching was shown to vary from trial to trial. Skilled performers exploited redundant degrees of freedom in the motor system when faced with a sudden, unexpected change in task constraints. PMID:11057000

  13. Host-induced gene silencing of cytochrome P450 lanosterol C14α-demethylase–encoding genes confers strong resistance to Fusarium species

    PubMed Central

    Koch, Aline; Kumar, Neelendra; Weber, Lennart; Keller, Harald; Imani, Jafargholi; Kogel, Karl-Heinz

    2013-01-01

    Head blight, which is caused by mycotoxin-producing fungi of the genus Fusarium, is an economically important crop disease. We assessed the potential of host-induced gene silencing targeting the fungal cytochrome P450 lanosterol C-14α-demethylase (CYP51) genes, which are essential for ergosterol biosynthesis, to restrict fungal infection. In axenic cultures of Fusarium graminearum, in vitro feeding of CYP3RNA, a 791-nt double-stranded (ds)RNA complementary to CYP51A, CYP51B, and CYP51C, resulted in growth inhibition [half-maximum growth inhibition (IC50) = 1.2 nM] as well as altered fungal morphology, similar to that observed after treatment with the azole fungicide tebuconazole, for which the CYP51 enzyme is a target. Expression of the same dsRNA in Arabidopsis and barley rendered susceptible plants highly resistant to fungal infection. Microscopic analysis revealed that mycelium formation on CYP3RNA-expressing leaves was restricted to the inoculation sites, and that inoculated barley caryopses were virtually free of fungal hyphae. This inhibition of fungal growth correlated with in planta production of siRNAs corresponding to the targeted CYP51 sequences, as well as highly efficient silencing of the fungal CYP51 genes. The high efficiency of fungal inhibition suggests that host-induced gene-silencing targeting of the CYP51 genes is an alternative to chemical treatments for the control of devastating fungal diseases. PMID:24218613

  14. Hand-Portable Gradient Capillary Liquid Chromatography Pumping System.

    PubMed

    Sharma, Sonika; Plistil, Alex; Barnett, Hal E; Tolley, H Dennis; Farnsworth, Paul B; Stearns, Stanley D; Lee, Milton L

    2015-10-20

    In this work, a novel splitless nanoflow gradient generator integrated with a stop-flow injector was developed and evaluated using an on-column UV-absorption detector. The gradient pumping system consisted of two nanoflow pumps controlled by micro stepper motors, a mixer connected to a serpentine tube, and a high-pressure valve. The gradient system weighed only 4 kg (9 lbs) and could generate up to 55 MPa (8000 psi) pressure. The system could operate using a 24 V DC battery and required 1.2 A for operation. The total volume capacity of the pump was 74 μL, and a sample volume of 60 nL could be injected. The system provided accurate nanoflow rates as low as 10 nL/min without employing a splitter, making it ideal for capillary column use. The gradient dwell volume was calculated to be 1.3 μL, which created a delay of approximately 4 min with a typical flow rate of 350 nL/min. Gradient performance was evaluated for gradient step accuracy, and excellent reproducibility was obtained in day-to-day experiments (RSD < 1.2%, n = 4). Linear gradient reproducibility was tested by separating a three-component pesticide mixture on a poly(ethylene glycol) diacrylate (PEGDA) monolithic column. The retention time reproducibility was very good in run-to-run experiments (RSD < 1.42%, n = 4). Finally, excellent separation of five phenols was demonstrated using the nanoflow gradient system.

  15. Overcoming challenges in the study of nitrided microalloyed steels using atom probe.

    PubMed

    Xie, Kelvin Y; Breen, Andrew J; Yao, Lan; Moody, Michael P; Gault, Baptiste; Cairney, Julie M; Ringer, Simon P

    2012-01-01

    Nitrided steels are widely used in the engineering field due to their superior hardness and other attractive properties. Atom probe tomography (APT) was employed to study two Nb-microalloyed CASTRIP steels with different N contents. A major challenge of using APT to study this group of materials is the presence of tails after Fe peaks in the mass spectra, which overestimates the composition for alloying elements such as Nb and Cu in the steels. One important factor that contributes to the tails is believed to be delayed field evaporation from Fe²⁺. This artefact of the mass spectrum was observed to be the most severe when voltage pulsing was used. The application of laser pulses with energy ranging from 0.2 to 1.2 nJ successfully reduced the tails and lead to better compositional measurement accuracy. Spatial resolution in the z-direction (along the tip direction) was observed to be less affected by changing laser energy but deteriorates in x-y direction with increasing laser energy. This investigation suggests that pulsed-laser atom probe with ∼0.4 nJ laser energy can be used to study this group of materials with improved mass resolution while still maintaining high spatial resolution.

  16. A method for preparation and cleaning of uniformly sized arsenopyrite particles

    DOE PAGESBeta

    Parthasarathy, Hariprasad; Baltrus, John P; Dzombak, David A; Karamalidis, Athanasios K

    2014-10-11

    The oxidative dissolution of sulfide minerals, such as arsenopyrite (FeAsS), is of critical importance in many geochemical systems. A comprehensive understanding of their dissolution rates entails careful preparation of the mineral surface. Measurements of dissolution rates of arsenic from arsenopyrite are dependent on the size and degree of oxidation of its particles, among other factors. In this work, a method was developed for preparation and cleaning of arsenopyrite particles with size range of 150–250 μm. Four different cleaning methods were evaluated for effectiveness based on the removal of oxidized species of iron (Fe), arsenic (As) and sulfur (S) from themore » surface. The percentage oxidation of the surface was determined using X-ray photoelectron spectroscopy (XPS), and surface stoichiometry was measured using scanning electron microscopy – energy dispersive X-ray spectroscopy (SEM-EDS). Results indicate that sonicating the arsenopyrite particles and then cleaning them with 12N HCl followed by 50% ethanol, and drying in nitrogen was the most effective method. This method was successful in greatly reducing the oxide species of Fe while completely removing oxides of As and S from the arsenopyrite surface. Although sonication and acid cleaning have been widely used for mineral preparation, the method described in this study can significantly reduce grain size heterogeneity as well as surface oxidation, which enables greater control in surface and dissolution experiments.« less

  17. Density functional study of electronic, charge density, and chemical bonding properties of 9-methyl-3-Thiophen-2-YI-Thieno [3,2-e] [1, 2, 4] Thriazolo [4,3-c] pyrimidine-8-Carboxylic acid ethyl ester crystals

    NASA Astrophysics Data System (ADS)

    Reshak, A. H.; Kamarudin, H.; Alahmed, Z. A.; Auluck, S.; Chyský, Jan

    2014-06-01

    A comprehensive theoretical density functional investigation of the electronic crystal structure, chemical bonding, and the electron charge densities of 9-Methyl-3-Thiophen-2-YI-Thieno [3, 2-e] [1, 2, 4] Thriazolo [4,3-c] Pyrimidine-8-Carboxylic Acid Ethyl Ester (C15H12N4O2S2) is performed. The density of states at Fermi level equal to 5.50 (3.45) states/Ry cell, and the calculated bare electronic specific heat coefficient is found to be 0.95 (0.59) mJ/mole-K2 for the local density approximation (Engel-Vosko generalized gradient approximation). The electronic charge density space distribution contours in (1 0 0) and (1 1 0) planes were calculated. We find that there are two independent molecules (A and B) in the asymmetric unit exhibit intramolecular C-H…O, C-H…N interactions. This intramolecular interaction is different in molecules A and B, where A molecule show C-H…O interaction while B molecule exhibit C-H…N interaction. We should emphasis that there is π-π interaction between the pyrimidine rings of the two neighbors B molecules gives extra strengths and stabilizations to the superamolecular structure. The calculated distance between the two neighbors pyrimidine rings found to be 3.345 Å, in good agreement with the measured one (3.424(1) Å).

  18. Comparison of Identification Systems for Classification of Bacteria Isolated from Water and Endolithic Habitats within the Deep Subsurface

    PubMed Central

    Amy, P. S.; Haldeman, D. L.; Ringelberg, D.; Hall, D. H.; Russell, C.

    1992-01-01

    One water and three rock samples were taken from a mined tunnel system, U12n, in Rainier Mesa at the Nevada Test Site. Endolithic microorganisms were cultured from ashfall tuff, which was crushed and made into slurries with a formulation of artificial pore water, on R2A agar plates. Microbial counts ranged from 102 to 104 viable cells per g (dry weight) of rock sampled. The cultured water sample yielded 102 viable cells per ml. Many of the isolates were very small (<1 μm) when viewed in the rock matrix and remained small even when cultured. Most were gram-negative rods. Individual isolates were profiled by API-NFT strip number, antibiotic and metal resistance patterns, and colony and cellular morphologies. Three identification systems, API-NFT strips, BIOLOG, and MIDI, were compared. Each system identified only a small percentage of the total isolates, and in only seven cases were the isolates identified the same way by more than one system. The same genus was identified in three of these cases, but different species were indicated. The genus Pseudomonas was the most commonly identified. The isolate profiles and the three identification systems demonstrated that water isolates were considerably different from endolithic isolates. PMID:16348791

  19. Skeletal Maturation and Aerobic Performance in Young Soccer Players from Professional Academies.

    PubMed

    Teixeira, A S; Valente-dos-Santos, J; Coelho-E-Silva, M J; Malina, R M; Fernandes-da-Silva, J; Cesar do Nascimento Salvador, P; De Lucas, R D; Wayhs, M C; Guglielmo, L G A

    2015-11-01

    The contribution of chronological age, skeletal age (Fels method) and body size to variance in peak velocity derived from the Carminatti Test was examined in 3 competitive age groups of Brazilian male soccer players: 10-11 years (U-12, n=15), 12-13 years (U-14, n=54) and 14-15 years (U-16, n=23). Body size and soccer-specific aerobic fitness were measured. Body composition was predicted from skinfolds. Analysis of variance and covariance (controlling for chronological age) were used to compare soccer players by age group and by skeletal maturity status within of each age group, respectively. Relative skeletal age (skeletal age minus chronological age), body size, estimated fat-free mass and performance on the Carminatti Test increased significantly with age. Carminatti Test performance did not differ among players of contrasting skeletal maturity status in the 3 age groups. Results of multiple linear regressions indicated fat mass (negative) and chronological age (positive) were significant predictors of peak velocity derived from the Carminatti Test, whereas skeletal age was not a significant predictor. In conclusion, the Carminatti Test appears to be a potentially interesting field protocol to assess intermittent endurance running capacity in youth soccer programs since it is independent of biological maturity status.

  20. Synthesis and characterization of a new organic sulphate, [2,3-(CH{sub 3}){sub 2}C{sub 6}H{sub 3}NH{sub 3}]HSO{sub 4}·H{sub 2}O

    SciTech Connect

    Sahbani, T.; Smirani, W.; Al-Deyab, Salem S.; Rzaigui, M.

    2012-06-15

    Highlights: ► The packing of this hybrid compound shows strong and moderate non-centrosymmetrical structure. ► In all the studied temperature range, this conductivity increases with the temperature showing that this material has semi-conductor behaviour. ► The reported crystal could be an optically non-linear material. A study of this activity could open to it opportunities on applied plan. -- Abstract: Crystals of a new hybrid compound C{sub 8}H{sub 12}N{sup +}, HSO{sub 4}{sup −}·H{sub 2}O were synthesized in aqueous solution and characterized by X-ray diffraction and IR absorption spectroscopy. This compound crystallizes in the orthorhombic non-centrosymmetrical space group P2{sub 1}2{sub 1}2{sub 1} and an unit cell with a = 5.74(2) Å, b = 9.17(2) Å, c = 21.34(4) Å, V = 1124(6) Å{sup 3}, and Z = 4. Its crystal structure is a packing of alternated inorganic and organic layers parallel to (a,b) planes. The different components are connected by a bi-dimensional network of strong O-H…O and N-H…O hydrogen bonds. Then, in order to detect phase transitions and watch changes in the conductivity behaviour, investigations by DTA–TG and differential scanning calorimetry (DSC) and electrical conductivity measurements were carried out.

  1. Mechanical Properties of a Primary Cilium Measured by Resonant Oscillation

    NASA Astrophysics Data System (ADS)

    Resnick, Andrew

    Primary cilia are ubiquitous mammalian cellular substructures implicated in an ever-increasing number of regulatory pathways. The well-established `ciliary hypothesis' states that physical bending of the cilium (for example, due to fluid flow) initiates signaling cascades, yet the mechanical properties of the cilium remain incompletely measured, resulting in confusion regarding the biological significance of flow-induced ciliary mechanotransduction. In this work we measure the mechanical properties of a primary cilium by using an optical trap to induce resonant oscillation of the structure. Our data indicate 1), the primary cilium is not a simple cantilevered beam, 2), the base of the cilium may be modeled as a nonlinear rotatory spring, the linear spring constant `k' of the cilium base calculated to be (4.6 +/- 0.62)*10-12 N/rad and nonlinear spring constant ` α' to be (-1 +/- 0.34) *10-10 N/rad2 , and 3) the ciliary base may be an essential regulator of mechanotransduction signalling. Our method is also particularly suited to measure mechanical properties of nodal cilia, stereocilia, and motile cilia, anatomically similar structures with very different physiological functions.

  2. Mechanical Properties of a Primary Cilium As Measured by Resonant Oscillation

    PubMed Central

    Resnick, Andrew

    2015-01-01

    Primary cilia are ubiquitous mammalian cellular substructures implicated in an ever-increasing number of regulatory pathways. The well-established ciliary hypothesis states that physical bending of the cilium (for example, due to fluid flow) initiates signaling cascades, yet the mechanical properties of the cilium remain incompletely measured, resulting in confusion regarding the biological significance of flow-induced ciliary mechanotransduction. In this work we measure the mechanical properties of a primary cilium by using an optical trap to induce resonant oscillation of the structure. Our data indicate 1) the primary cilium is not a simple cantilevered beam; 2) the base of the cilium may be modeled as a nonlinear rotatory spring, with the linear spring constant k of the cilium base calculated to be (4.6 ± 0.62) × 10−12 N/rad and nonlinear spring constant α to be (−1 ± 0.34) × 10−10 N/rad2; and 3) the ciliary base may be an essential regulator of mechanotransduction signaling. Our method is also particularly suited to measure mechanical properties of nodal cilia, stereocilia, and motile cilia—anatomically similar structures with very different physiological functions. PMID:26153698

  3. The growth of ubiquitous ZnO rods on PMMA-coated substrate by solution-immersion method at different annealing temperatures

    NASA Astrophysics Data System (ADS)

    Aadila, A.; Asib, N. A. M.; Afaah, A. N.; Husairi, F. S.; Mohamed, R.; Rusop, M.; Khusaimi, Z.

    2016-07-01

    In this work, solution-immersion method was used to grow ZnO rods on PMMA-coated substrate. For this purpose, 0.15 M of zinc nitrate hexahydrate (Zn(NO3)2.6H2O) and hexamethylenetetramine (C6H12N4) were used to growth of ZnO films at different annealing temperatures (room temperature, 80, 100, 120 and 140 °C). The morphology of the films was investigated by Scanning Electron Microscope (SEM) and optical properties were studied by Ultraviolet (UV-Vis) Spectroscopy. SEM analysis showed ubiquitous growth of ZnO rods that became better aligned and more closely-packed as the annealing temperature increased. As the annealing temperature exceeds 100 °C, the rods tend to merge to adjacent particles and the UV absorption decreased for the sample at higher temperatures (120 °C and 140 °C). Good absorption and better orientation of ZnO was obtained for the sample annealed at 100 °C due to the film possess better distribution and these improved orientation of particles caused the light to be effectively scattered on the sample. Both surface morphology and UV was significantly affected by the change in annealing temperatures thus thermal effect played a dominant role in shaping and improving the orientation of ZnO rods on PMMA-coated and its UV absorption.

  4. Anguilla: tranquility wrapped in blue.

    PubMed

    Langmaid, P

    Anguilla is the most northerly of the Leeward Islands, situated at 63.05 W, 18.12 N for those of my colleagues still able to afford a boat with transatlantic capability after the new contract, and wishing to visit. Sixteen miles long and three and a half miles wide at its widest point, Anguilla is an independent British Crown Colony, and home to around 7000 citizens, mainly of African descent and some of Irish descent. It is an uncrowded, easy-to-explore island with a spinal road running the length of the island, and 'natural' roads leading to the beaches and some villages. There are 12 miles of beaches where white sand (VMK A1) meets crystal clear, turquoise blue water, at a comfortable 75 degrees F. Is this the answer to 'Ski with occlusion', the ultimate postgraduate course venue? Probably, until another dentist from deep in the Pacific writes in to the Journal with a view from his/her surgery.

  5. Simultaneous stratospheric gas and aerosol retrievals from broadband infrared occultation measurements.

    PubMed

    Oshchepkov, Sergey; Sasano, Yasuhiro; Yokota, Tatsuya; Uemura, Nobuyuki; Matsuda, Hisashi; Itou, Yasuhiro; Nakajima, Hideaki

    2005-08-01

    The inversion method for simultaneous gas (O3, NO2, HNO3, N2O, CH4, H2O, CFC-11, CFC-12, N2O5, and ClONO2) and aerosol retrievals from broadband continuous IR spectra of occultation measurements is described. Both gas and aerosol physical modeling with consideration of the multicomponent character of aerosol and polar stratospheric clouds (PSCs) are used to minimize the difference between measured and modeled transmittance spectra under smoothness constraints imposed on particle-size distributions for each PSC component and positive constraints on all gas and aerosol parameters. The method is tested by numerical simulations in which synthetic occultation measurements inherent to the improved limb atmospheric spectrometer are used. The study reveals that the method has significant advantages over other approaches based on offset or gas-window-channel aerosol correction for accurate gas retrievals and provides additional information on the particle-size composition, volume density, and chemical component character of PSCs.

  6. Representing Ionospheric Variability Near the Magnetic Equator

    NASA Astrophysics Data System (ADS)

    Bilitza, D.; Obrou, O.; Adeniyi, J.

    We examine different parameters for the description of ionospheric variability in the equatorial ionosphere. Our data base for this study are foF2 data from the ionosonde stations in Korhogo, Ivory Coast (Lat.= 9.3N, Long. = 5.4W, Dip = 0.7S) and Ouagadougou, Burkina Faso (Lat.= 12N, Long. = 1.8W, Dip = 5.9N). Three years of hourly observations are examined from each station covering low, moderate, and high levels of solar activity. This work is in support of efforts within the International Reference Ionosphere (IRI) project to include a description of ionospheric variability in the IRI model. The goal is to provide the model user with one or two parameters that fully describe the distribution of data around a monthly mean or median for a specific hour, season, and solar activity. The parameters investigated in this study include the mean, the standard deviation, the median, the quartiles, the deciles, the inter-quartile range, the inter-decile range, and several other parameters that help to characterize a non-normal distribution. We will recommend a set of parameters for use in IRI and will discuss the diurnal, seasonal, and solar cycle variations of these parameters near the magnetic equator.

  7. Photoaffinity Labeling of Developing Jojoba Seed Microsomal Membranes with a Photoreactive Analog of Acyl-Coenzyme A (Acyl-CoA) (Identification of a Putative Acyl-CoA:Fatty Alcohol Acyltransferase.

    PubMed

    Shockey, J. M.; Rajasekharan, R.; Kemp, J. D.

    1995-01-01

    Jojoba (Simmondsia chinensis, Link) is the only plant known that synthesizes liquid wax. The final step in liquid wax biosynthesis is catalyzed by an integral membrane enzyme, fatty acyl-coenzyme A (CoA):fatty alcohol acyltransferase, which transfers an acyl chain from acyl-CoA to a fatty alcohol to form the wax ester. To purify the acyltransferase, we have labeled the enzyme with a radioiodinated, photoreactive analog of acyl-CoA, 12-[N-(4-azidosalicyl)amino] dodecanoyl-CoA (ASD-CoA). This molecule acts as an inhibitor of acyltransferase activity in the dark and as an irreversible inhibitor upon exposure to ultraviolet light. Oleoyl-CoA protects enzymatic activity in a concentration-dependent manner. Photolysis of microsomal membranes with labeled ASD-CoA resulted in strong labeling of two polypeptides of 57 and 52 kD. Increasing concentrations of oleoyl-CoA reduced the labeling of the 57-kD polypeptide dramatically, whereas the labeling of the 52-kD polypeptide was much less responsive to oleoyl-CoA. Also, unlike the other polypeptide, the labeling of the 57-kD polypeptide was enhanced considerably when photolyzed in the presence of dodecanol. These results suggest that a 57-kD polypeptide from jojoba microsomes may be the acyl-CoA:fatty alcohol acyltransferase.

  8. 9-Phenyl-4,5-diaza-9H-fluoren-9-ol monohydrate

    PubMed Central

    Yin, Guo-Jie; Yang, Gang-Bin; Wang, Shi-Min

    2012-01-01

    The title compound, C17H12N2O·H2O, was synthesized by the reaction of 4,5-diaza­fluoren-9-one with a Grignard reagent in ether (the reaction mixture being hydrolysed with saturated NH4Cl solution), and crystallizes with two organic mol­ecules and two water mol­ecules in the asymmetric unit. The 4,5-diaza­fluorene fragment is approximately planar, with r.m.s. deviations of 0.0448 and 0.0198 Å in the two mol­ecules. The dihedral angles between the 4,5-diaza­fluorene planes and the phenyl ring are 80.49 (6) and 76.57 (7)°. The crystal packing features O—H⋯N and O—H⋯O hydrogen bonds involving the bridging solvent water mol­ecules, which link the mol­ecules into a three-dimensional network. PMID:22719589

  9. Characterization of Microbial Communities in Subsurface Nuclear Blast Cavities of the Nevada Test Site

    SciTech Connect

    Moser, Duane P.; Bruckner, Jim; Fisher, Jen; Czerwinski, Ken; Russell, Charles E.; Zavarin, Mavrik

    2010-09-01

    This U.S. Department of Energy (DOE) Environmental Remediation Sciences Project (ERSP) was designed to test fundamental hypotheses concerning the existence and nature of indigenous microbial populations of Nevada Test Site subsurface nuclear test/detonation cavities. Now called Subsurface Biogeochemical Research (SBR), this program’s Exploratory Research (ER) element, which funded this research, is designed to support high risk, high potential reward projects. Here, five cavities (GASCON, CHANCELLOR, NASH, ALEMAN, and ALMENDRO) and one tunnel (U12N) were sampled using bailers or pumps. Molecular and cultivation-based techniques revealed bacterial signatures at five sites (CHANCELLOR may be lifeless). SSU rRNA gene libraries contained diverse and divergent microbial sequences affiliated with known metal- and sulfur-cycling microorganisms, organic compound degraders, microorganisms from deep mines, and bacteria involved in selenate reduction and arsenite oxidation. Close relatives of Desulforudis audaxviator, a microorganism thought to subsist in the terrestrial deep subsurface on H2 and SO42- produced by radiochemical reactions, was detected in the tunnel waters. NTS-specific media formulations were used to culture and quantify nitrate-, sulfate-, iron-reducing, fermentative, and methanogenic microorganisms. Given that redox manipulations mediated by microorganisms can impact the mobility of DOE contaminants, our results should have implications for management strategies at this and other DOE sites.

  10. Characterization of microbial communities in subsurface nuclear blast cavities of the Nevada Test Site

    SciTech Connect

    Moser, Duane P; Czerwinski, Ken; Russell, Charles E; Zavarin, Mavrik

    2010-07-13

    This US Department of Energy (DOE) Environmental Remediation Sciences Project (ERSP) was designed to test fundamental hypotheses concerning the existence and nature of indigenous microbial populations of Nevada Test Site subsurface nuclear test/detonation cavities. Now called Subsurface Biogeochemical Research (SBR), this program's Exploratory Research (ER) element, which funded this research, is designed to support high risk, high potential reward projects. Here, five cavities (GASCON, CHANCELLOR, NASH, ALEMAN, and ALMENDRO) and one tunnel (U12N) were sampled using bailers or pumps. Molecular and cultivation-based techniques revealed bacterial signatures at five sites (CHANCELLOR may be lifeless). SSU rRNA gene libraries contained diverse and divergent microbial sequences affiliated with known metal- and sulfur-cycling microorganisms, organic compound degraders, microorganisms from deep mines, and bacteria involved in selenate reduction and arsenite oxidation. Close relatives of Desulforudis audaxviator, a microorganism thought to subsist in the terrestrial deep subsurface on H2 and SO42- produced by radiochemical reactions, was detected in the tunnel waters. NTS-specific media formulations were used to culture and quantify nitrate-, sulfate-, iron-reducing, fermentative, and methanogenic microorganisms. Given that redox manipulations mediated by microorganisms can impact the mobility of DOE contaminants, our results should have implications for management strategies at this and other DOE sites.

  11. 1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate

    PubMed Central

    Hu, Yong-Peng; Yan, Biao; Li, Jie; Ma, Hai-Xia

    2013-01-01

    In the title solvated salt, C8H12N9 +·ClO4 −·CH3OH, the dihedral angle between the tetra­zine and pyrazole rings is 26.05 (7)°. The two N atoms bonded to the 1,2,4,5-tetra­zine ring deviate from the plane defined by its four N atoms by 0.234 (2) and 0.186 (2) Å. There is an intra­molecular N—H⋯N hydrogen bond between the protonated guanidine fragment and one of the tetra­zine N atoms. In the crystal, two cations and two perchlorate anions are connected via N—H⋯O hydrogen bonds into centrosymmetric assemblies. These assemblies are further linked into a two-dimensional network parallel to (100) via bifurcated O—H⋯(N,N) hydrogen bonds formed with the bridging methanol mol­ecules. PMID:24109403

  12. Base de linhas moleculares para síntese espectral estelar

    NASA Astrophysics Data System (ADS)

    Milone, A.; Sanzovo, G.

    2003-08-01

    A análise das abundâncias quí micas fotosféricas em estrelas do tipo solar ou tardia, através do cálculo teórico de seus espectros, emprega a espectroscopia de alta resolução e necessita de uma base representativa de linhas atômicas e moleculares com suas respectivas constantes bem determinadas. Nesse trabalho, utilizamos como ponto de partida as extensas listas de linhas espectrais de sistemas eletrônicos de algumas moléculas diatômicas compiladas por Kurucz para a construção de uma base de linhas moleculares para a sí ntese espectral estelar. Revisamos as determinações dos fatores rotacionais de Honl-London das forças de oscilador das linhas moleculares, para cada banda vibracional de alguns sistemas eletrônicos, seguindo a regra usual de normalização. Usamos as forças de oscilador eletrônicas da literatura. Os fatores vibracionais de Franck-Condon de cada banda foram especialmente recalculados empregando-se novas constantes moleculares. Reproduzimos, com êxito, as absorções espectrais de determinadas bandas eletrônicas-vibracionais das espécies moleculares C12C12, C12N14 e Mg24H em espectros de estrelas de referência como o Sol e Arcturus.

  13. Novel Nox inhibitor of oxLDL-induced reactive oxygen species formation in human endothelial cells.

    PubMed

    Stielow, Claudia; Catar, Rusan A; Muller, Gregor; Wingler, Kirstin; Scheurer, Peter; Schmidt, Harald H H W; Morawietz, Henning

    2006-05-26

    In this study, we investigated effects of a novel NAD(P)H oxidase (Nox)-inhibitor 3-benzyl-7-(2-benzoxazolyl)thio-1,2,3-triazolo[4,5-d]pyrimidine (VAS2870) on oxidized low-density lipoprotein (oxLDL)-mediated reactive oxygen species (ROS) formation in human endothelial cells. Primary cultures of human umbilical vein endothelial cells were cultured to confluence and ROS formation was induced with 50microg/ml oxLDL for 2h. ROS formation was detected by chemiluminescence (CL) using the Diogenes reagent. OxLDL induced ROS formation in human endothelial cells (171+/-12%; n=10, P<0.05 vs. control). This augmented ROS formation in response to oxLDL was completely inhibited by the Nox inhibitor VAS2870 (101+/-9%; n=7, P<0.05 vs. oxLDL). Similar results were obtained with superoxide dismutase (91+/-7%; n=7, P<0.05 vs. oxLDL). However, the Nox4 mRNA expression level was neither changed by oxLDL nor VAS2870. We conclude that VAS2870 could provide a novel strategy to inhibit the augmented endothelial superoxide anion formation in response to cardiovascular risk factors. PMID:16603125

  14. Mutational and Structural Analyses of Caldanaerobius polysaccharolyticus Man5B Reveal Novel Active Site Residues for Family 5 Glycoside Hydrolases

    PubMed Central

    Han, Yejun; Burnett, Alanna; Nagasawa, Naoko; Mackie, Roderick I.; Nakamura, Haruki; Morikawa, Kosuke; Cann, Isaac

    2013-01-01

    CpMan5B is a glycoside hydrolase (GH) family 5 enzyme exhibiting both β-1,4-mannosidic and β-1,4-glucosidic cleavage activities. To provide insight into the amino acid residues that contribute to catalysis and substrate specificity, we solved the structure of CpMan5B at 1.6 Å resolution. The structure revealed several active site residues (Y12, N92 and R196) in CpMan5B that are not present in the active sites of other structurally resolved GH5 enzymes. Residue R196 in GH5 enzymes is thought to be strictly conserved as a histidine that participates in an electron relay network with the catalytic glutamates, but we show that an arginine fulfills a functionally equivalent role and is found at this position in every enzyme in subfamily GH5_36, which includes CpMan5B. Residue N92 is required for full enzymatic activity and forms a novel bridge over the active site that is absent in other family 5 structures. Our data also reveal a role of Y12 in establishing the substrate preference for CpMan5B. Using these molecular determinants as a probe allowed us to identify Man5D from Caldicellulosiruptor bescii as a mannanase with minor endo-glucanase activity. PMID:24278284

  15. Cohort Profile: Andhra Pradesh Children and Parents Study (APCAPS)

    PubMed Central

    Kinra, Sanjay; Radha Krishna, KV; Kuper, Hannah; Rameshwar Sarma, KV; Prabhakaran, Poornima; Gupta, Vipin; Walia, Gagandeep Kaur; Bhogadi, Santhi; Kulkarni, Bharati; Kumar, Aniket; Aggarwal, Aastha; Gupta, Ruby; Prabhakaran, Dorairaj; Reddy, K Srinath; Davey Smith, George; Ben-Shlomo, Yoav; Ebrahim, Shah

    2014-01-01

    The Andhra Pradesh Children and Parents Study (APCAPS) was originally established to study the long-term effects of early-life undernutrition on risk of cardiovascular disease. Its aims were subsequently expanded to include trans-generational influences of other environmental and genetic factors on chronic diseases in rural India. It builds on the Hyderabad Nutrition Trial (HNT) conducted in 1987–90 to compare the effects on birthweight of a protein-calorie supplement for pregnant women and children. The index children of HNT and their mothers were retraced and examined in 2003–05, and the children re-examined as young adults aged 18–21 years in 2009–10. The cohort was expanded to include both parents and siblings of the index children in a recently completed follow-up conducted in 2010–12 (N = ∼6225 out of 10 213 participants). Recruitment of the remaining residents of these 29 villages (N = ∼55 000) in Ranga Reddy district of Andhra Pradesh is now under way. Extensive data on socio-demographic, lifestyle, medical, anthropometric, physiological, vascular and body composition measures, DNA, stored plasma, and assays of lipids and inflammatory markers on APCAPS participants are available. Details of how to access these data are available from the corresponding author. PMID:24019421

  16. Cardiovascular Endurance, Body Mass Index, Physical Activity, Screen Time, and Carotenoid Intake of Children: NHANES National Youth Fitness Survey

    PubMed Central

    2016-01-01

    Background. Approximately 17% of children aged 6–11 years were classified as obese in the United States. Obesity adversely affects physical functioning and leads to reduced quality of life. Heart function for overweight and obese children has not been reported. Methods. Data for this study were from NHANES National Youth Fitness Survey (NNYFS) conducted in conjunction with the National Health and Nutrition Examination Survey (NHANES) in 2012. This study used data from children aged 6–12 (N = 732) that had the cardiorespiratory endurance measure, body mass index for age and sex, and dietary data (N = 682). Cardiovascular endurance was estimated by heart rate reserve. Results. Compared to the highest percentile of heart rate reserve, those in the first percentile had 3.52 (2.36, 5.24) odds and those in the second percentile had 3.61 (1.84, 7.06) odds of being in the overweight/obese as compared to the under/normal weight category. Considering the highest percentile, boys had a heart rate reserve of 35%, whereas girls had a heart rate reserve of 13% (less than half that of boys). Conclusion. Having an overweight or obese classification for children in this study demonstrated a compromise in cardiovascular endurance. Parental awareness should be raised as to the detrimental consequence of overweight and heart health. PMID:27774315

  17. 2,2′-(Disulfanedi­yl)dibenzoic acid–2,9-dimethyl­phenanthroline–tetra­hydro­furan (1/2/1)

    PubMed Central

    Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.

    2010-01-01

    The asymmetric unit of the title co-crystal solvate, C14H10O4S2·2C14H12N2·C4H8O, comprises a 2,2′-(disulfanedi­yl)dibenzoic acid mol­ecule, two mol­ecules of 2,9-dimethyl­phenanthroline and a tetra­hydro­furan (THF) solvent mol­ecule. Each end of the twisted diacid [dihedral angle between the benzene rings = 74.33 (17)°] forms a strong O—H⋯N hydrogen bond with a 2,9-dimethyl­phenanthroline mol­ecule, forming a trimeric aggregate. The crystal structure comprises layers of acid and THF mol­ecules, and layers of 2,9-dimethyl­phenanthroline mol­ecules that alternate along the a axis, the main connections between them being of the type C—H⋯O. PMID:21587579

  18. Genetic diversity and antimicrobial susceptibility of Nocardia species among patients with nocardiosis

    PubMed Central

    Hashemi-Shahraki, Abodolrazagh; Heidarieh, Parvin; Bostanabad, Saeed Zaker; Hashemzadeh, Mohamad; Feizabadi, Mohamad Mehdi; Schraufnagel, Dean; Mirsaeidi, Mehdi

    2015-01-01

    The aim of this multicenter study was to determine the genetic diversity and antibiotic susceptibility of clinically isolated Nocardia species. One hundred twenty-seven patients with nocardiosis were randomly selected from 5 provinces of Iran. Molecular diagnosis of Nocardia species was performed using multilocus sequence analysis of gyrase B of the β subunit of DNA topoisomerase (gyrB), and 16S rRNA and subunit A of SecA preproteintranslocase (secA1). Antimicrobial susceptibility testing was performed following the Clinical and Laboratory Standards Institute recommendations. Thirty-five N. cyriacigeorgica, 30 N. asteroides, 26 N. farcinica, 12 N. otitidiscaviarum, and 10 N. abscessus cultures were studied. All isolates were susceptible to linezolid. All isolates of N. cyriacigeorgica, N. asteroides, N. abscessus, and N. otitidiscaviarum were susceptible to trimethoprim-sulfamethoxazole, while 8% of N. farcinica isolates were resistant to this drug. All N. otitidiscaviarum isolates were highly resistant to imipenem, but N. cyriacigeorgica, N. asteroides, N. farcinica, and N. abscessus were only moderate resistant. The susceptibility patterns vary with different species of Nocardia. Resistance to trimethoprim-sulfamethoxazole in Iran is low and this drug should be first line therapy, unless drug susceptibility testing shows resistance. Linezolid also covers Nocardia well and could be a second line agent. PMID:26638771

  19. Anomalous Hall effect in Fe/Au multilayers

    NASA Astrophysics Data System (ADS)

    Zhang, Q.; Li, P.; Wen, Y.; Zhao, C.; Zhang, J. W.; Manchon, A.; Mi, W. B.; Peng, Y.; Zhang, X. X.

    2016-07-01

    To understand the interfacial scattering effect on the anomalous Hall effect (AHE), we prepared multilayers of (Fe(36/n)nm/A u(12 /n )nm ) n using an e-beam evaporator. This structure design allowed us to investigate the effect of interfacial scattering on the AHE, while keeping the samples' thickness and composition unchanged. We measured the (magneto)transport properties of the samples in a wide temperature range (10-310 K) with magnetic fields up to 50 kOe. We found that the scaling between the anomalous Hall resistivity (ρAHE) and longitudinal resistivity (ρx x) can be roughly described by ρAHE˜ρxx γ with γ =2.65 ±0.10 and 1.90 ± 0.04 for samples from n =1 to n =4 and samples from n =4 to n =12 , respectively. Our quantitative analysis results showed that the interfacial scattering suppresses the contribution of the intrinsic mechanism and gives rise to a side-jump contribution.

  20. Iodido{4-phenyl-1-[1-(1,3-thia-zol-2-yl-κN)ethyl-idene]thio-semicarbazidato-κ(2) N',S}{4-phenyl-1-[1-(1,3-thia-zol-2-yl)ethyl-idene]thio-semicarbazide-κS}cadmium(II).

    PubMed

    Venkatraman, Ramaiyer; Samuel, Dasary S; Arslan, Zikri; Hossain, Md Alamgir; Fronczek, Frank R

    2013-05-01

    In the title complex, [Cd(C12H11N4S2)I(C12H12N4S2)], the Cd(II) ion is penta-coordinated by two thio-semicarbazone ligands (one neutral and the other anionic) and one iodide ion in a distorted square pyramidal (τ = 0.35) geometry. The central ion is coordinated by the thia-zole N atom, the thio-ureido N and the S atom of the deprotonated thio-semicarbazone ligand. The other ligand is linked with the central ion through the C=S group. The deprotonated ligand intra-molecularly hydrogen bonds to the thia-zole ring N atom, while the ligand forms an inter-molecular hydrogen bond to the thiol-ate S atom of the second ligand. The deprotonation of the tridentate ligand and its coordination to the Cd(II) ion via the S atom strikingly affects the C-S bond lengths. The C-S bond lengths in the neutral and deprotonated ligands in the metal complex are 1.709 (3) and 1.748 (2) Å, respectively, whereas it is 1.671 (3) Å in the free ligand. In the metal complex, the Cd-S distances are 2.6449 (6) and 2.5510 (6) Å. The Cd-I bond length is 2.7860 (2) Å. PMID:23723762